smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features O=C1C(=Cc2cc([N+](=O)[O-])cc([N+](=O)[O-])c2O)C(=O)c2ccccc21 3107217 QJLSJFLDTNWDGS-UHFFFAOYSA-N 340.247 2.671 30 40 EFEB C[C@H]1CN(CC(=O)Nc2sc3c(c2C#N)CCCCC3)C[C@@H](C)O1 12620627 UXXNVQUHIGXDAU-BETUJISGSA-N 347.484 2.936 30 40 EFEB Cc1c(CCOC(=O)C2CC2)sc[n+]1CC(=O)c1ccccc1 3166580 CJBVRZDTRQEKAF-UHFFFAOYSA-N 330.429 2.723 30 40 EFEB O=C(C[C@@H]1S/C(=N\C2CC2)NC1=O)Nc1ccc2ccccc2c1 12995502 WYLVRZNQMQEDDT-HNNXBMFYSA-N 339.420 2.918 30 40 EFEB Cc1ccc(N=C[C@H]2C(=O)NC(=O)N([C@H]3C[C@H]4CC[C@H]3C4)C2=O)cc1 408527558 OVHWNYTXEUQLTK-SDADXPQNSA-N 339.395 2.581 30 40 EFEB N#Cc1nc([C@H]2C[C@@H]2c2ccccc2)oc1N1CCC(C(N)=O)CC1 96346440 MLHWSXHQUIMNNS-CABCVRRESA-N 336.395 2.519 30 40 EFEB CC(C)(C#N)C(=O)N1CCN(Cc2csc(C(C)(C)C)n2)CC1 71819872 YDFQFOSFTRHRLR-UHFFFAOYSA-N 334.489 2.635 30 40 EFEB N#Cc1cc(S(=O)(=O)Nc2nc3ccccc3[nH]2)ccc1Cl 97032454 HKMURMBXOWDKJY-UHFFFAOYSA-N 332.772 2.889 30 40 EFEB CC[C@H](CC#N)NC(=O)Nc1ccccc1-c1nnnn1C(C)C 97096272 CTUBGVSZUBJTHH-GFCCVEGCSA-N 327.392 2.735 30 40 EFEB C=CCN1CCC[C@@]12CCCN(S(=O)(=O)c1cccc(C)c1)C2 96214811 JNZNABUTOWVPJH-SFHVURJKSA-N 334.485 2.800 30 40 EFEB C=CCN1C(=O)CCC12CCC(NC(=O)c1c(C)noc1C)CC2 96228577 REVAWVJSEIQZQA-UHFFFAOYSA-N 331.416 2.511 30 40 EFEB CC1=CC[C@H](/C(C)=C/CC[C@@](C)(O)/C=C2/C(=O)C(C)=C[C@H]2O)OC1=O 77257642 WALMEPYKXGNNSY-IWHJQFAXSA-N 346.423 2.542 30 40 EFEB biogenic,in-vitro Cc1cc(C)n(/N=C/c2cc(Br)ccc2O)c(=O)c1C#N 116501 YYJJNEYXIJJECX-QGMBQPNBSA-N 346.184 2.687 30 40 EFEB C[C@@H]1CN(CCC(=O)Nc2sc3c(c2C#N)CCCCC3)CCO1 22130711 DKSDSWVPMXQKFM-CYBMUJFWSA-N 347.484 2.938 30 40 EFEB COc1ccccc1[C@H](NC(=O)c1cccc(C#N)c1)c1nccn1C 22750137 XJULQNZMJKVBHO-SFHVURJKSA-N 346.390 2.820 30 40 EFEB C=CCOc1ccccc1C(=O)NCC(C)(C)N1C[C@H](C)O[C@@H](C)C1 30567295 WDTQADYLVXTBCP-HOTGVXAUSA-N 346.471 2.869 30 40 EFEB COc1ccccc1OCCN1C(=O)/C(=N/O)c2cc(C)ccc21 100756125 DDNINLFARKVNST-HTXNQAPBSA-N 326.352 2.608 30 40 EFEB CCOc1cc([C@@H]2NC(=O)C(O)=C2C(=O)c2cccs2)ccc1O 4901808 NWIPRQGACOFHFC-AWEZNQCLSA-N 345.376 2.718 30 40 EFEB CC(C)Oc1ccc(/C=N/N=C2C3(C)CN4CN(C3)CC2(C)C4)cc1 26896230 KJHQXUZJMBGKGO-NHBRNKNYSA-N 340.471 2.864 30 40 EFEB N#C[C@@H](C(=O)CCCOc1ccccc1F)C(=O)Nc1ccccn1 104055574 AVNVBCWRANGNGO-ZDUSSCGKSA-N 341.342 2.727 30 40 EFEB C=CCN1C(=O)/C(=C\c2ccccc2OC)C(C(=O)OCC)=C1C 12413452 RZFLKEFJMFZOOI-QINSGFPZSA-N 327.380 2.944 30 40 EFEB COc1ccc(NC(=O)[C@H](C#N)Cc2cn(C)c3ccccc23)cn1 61719215 IQSYVUUTSGEEBJ-ZDUSSCGKSA-N 334.379 2.903 30 40 EFEB N#Cc1cccc(NC(=O)N2CCN(Cc3cccc(O)c3)CC2)c1 58201145 LAUWWLZBGCAOKD-UHFFFAOYSA-N 336.395 2.614 30 40 EFEB CCC(CC)NC(=O)CO/N=C/c1ccc(OC(F)F)c(OC)c1 3323012 UDVOLXJCJPMXIB-DJKKODMXSA-N 344.358 2.952 30 40 EFEB COc1ccc(/C=C/C(C)=N\N=C2/N=C(O)[C@@H](CC(=O)O)S2)cc1 4690057 CGHKPCWBDXTENE-BJZVHQHMSA-N 347.396 2.987 30 40 EFEB CCc1cc(N(C)CC(=O)NC2CC2)n2c(nc3ccccc32)c1C#N 15116770 SIBHVWJDRNZIET-UHFFFAOYSA-N 347.422 2.636 30 40 EFEB C[C@H](c1ccc(-n2cnc3ccccc32)cc1)N(C)CC(=O)NCC#N 95984143 FSTXDKMPSLVLAS-OAHLLOKOSA-N 347.422 2.658 30 40 EFEB N/C(=N/Cc1ccccc1F)N1CCN(c2ccccc2F)CC1 95948287 YWDBCTOZNNMQDT-UHFFFAOYSA-N 330.382 2.602 30 40 EFEB N#Cc1ccc(S(=O)(=O)CCN2CCC[C@@H](C(F)(F)F)C2)cc1 176193288 KFEBITBLXBSHMQ-CYBMUJFWSA-N 346.374 2.606 30 40 EFEB Cc1nc2ccc(Br)cc2c(=O)n1N=Cc1ccncc1 409274379 CTZQOPXNMKDDEJ-UHFFFAOYSA-N 343.184 2.745 30 40 EFEB C=CCNc1nc(C(F)(F)F)nc2c1nnn2Cc1ccccc1 35315006 UNSUEUJUNGNODI-UHFFFAOYSA-N 334.305 2.886 30 40 EFEB C=C(Cl)CS(=O)(=O)NC[C@@H](C)c1nc(-c2ccccc2)no1 195578835 OQUDRDRARMMNBW-SNVBAGLBSA-N 341.820 2.512 30 40 EFEB N#Cc1cccc(CN2Cc3ccnn3C[C@@H](COCC3CC3)C2)c1 96189101 QCPRNXDMIRCENW-IBGZPJMESA-N 336.439 2.813 30 40 EFEB CC(C)Oc1ccc(S(=O)(=O)N(CC#N)c2ccccn2)cc1 585129819 XRVXIHULKZYRDV-UHFFFAOYSA-N 331.397 2.588 30 40 EFEB CC(=O)NC(C)(C)c1noc(C(C)(C)Oc2ccc(C#N)cc2)n1 585133793 VQYWNALVTFWKHF-UHFFFAOYSA-N 328.372 2.627 30 40 EFEB C=CCOC(=O)[C@@H]1CC=CC[C@@H]1C(=O)Nc1ccc(NC(C)=O)cc1 5027314 ZTAVIYQYJMCSDZ-DLBZAZTESA-N 342.395 2.895 30 40 EFEB N#Cc1ccc(CCC(=O)NC[C@H]2CCCN2c2nccs2)cc1 206779756 IURYTNQIXBRFMS-MRXNPFEDSA-N 340.452 2.733 30 40 EFEB C=C(C)CN(CC)C(=O)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 154672392 PDFYZHYCWCIUCI-UHFFFAOYSA-N 339.317 2.940 30 40 EFEB C[C@H](Oc1ccccc1C#N)C(=O)Nc1ccc(N2CCCC2)nc1 29784005 OTRYTWAMXWVREN-AWEZNQCLSA-N 336.395 2.959 30 40 EFEB Cc1ccc(NC(=O)[C@H](C)Sc2ncc(C#N)c(N)n2)c(C)c1 419950 JLLFFKCDONDIEB-NSHDSACASA-N 327.413 2.667 30 40 EFEB C=C(C)COc1cccc(NC(=O)CS(=O)(=O)C2CCCC2)c1 66463174 ISKXYQYGJHGBAA-UHFFFAOYSA-N 337.441 2.937 30 40 EFEB Cc1ccccc1-n1c(=O)c2ccccc2n2c(SCC#N)nnc12 5968497 OAHKZOUIRRIWEO-UHFFFAOYSA-N 347.403 2.958 30 40 EFEB CN(CCC#N)C(=O)CSc1nc(-c2ccc(Cl)cc2)n[nH]1 8374708 JHZYAYUPHVVQIR-UHFFFAOYSA-N 335.820 2.589 30 40 EFEB C[C@@H](NCc1ccccc1S(=O)(=O)N(C)C)c1cccc(C#N)c1 97034418 GAWJAJDHEJLRRV-CQSZACIVSA-N 343.452 2.659 30 40 EFEB C/N=C1/S/C(=C/c2ccc(OC)c(Br)c2)C(=O)N1C 408929835 OSLIPPIBMWOMOB-IGTWKLTNSA-N 341.230 2.990 30 40 EFEB N#C[C@@H]1[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]2[C@@H]2c3ccccc3C=CN12 20358231 VXVQJUHZEAPXAM-XWSJACJDSA-N 341.370 2.726 30 40 EFEB CS[C@@H]1C(C(=O)C(C)(C)C)=C(CC(=O)O)C(=O)N1CC(C)C 62716463 FRMZGWWOUXTBAE-OAHLLOKOSA-N 327.446 2.560 30 40 EFEB CN(C)CCNC(=O)c1cccc(CNc2ccc(C#N)cc2F)c1 66816369 NJRUWKNQSTTYAD-UHFFFAOYSA-N 340.402 2.601 30 40 EFEB CC(C)Cn1c(C#N)cc(N)c1N1CCN(Cc2ccccc2)CC1 225871854 QEOWTEDTHPSRFE-UHFFFAOYSA-N 337.471 2.920 30 40 EFEB Cc1sc(NC(=O)c2nn(C)cc2Br)c(C#N)c1C 2744912 UJGXAPFNEZQPQJ-UHFFFAOYSA-N 339.218 2.985 30 40 EFEB C#CCSc1nnc(CNC(=O)c2cccc(C(F)(F)F)c2)o1 5107530 HJGLNHDDCSGXRI-UHFFFAOYSA-N 341.314 2.744 30 40 EFEB N#Cc1cccc(C(=O)N2CCC[C@@]3(C2)OC(=O)c2ccccc23)c1 211111176 YGBOOZNBAZPIFT-FQEVSTJZSA-N 332.359 2.860 30 40 EFEB Cc1cc([C@@H]2CCCN(CC(=O)N(C)C3(C#N)CCCCC3)C2)n[nH]1 84110877 JRWKEEHOKIPAGE-MRXNPFEDSA-N 343.475 2.582 30 40 EFEB Cc1nc(SCC(N)=O)c(C#N)c(C)c1CC(=O)c1ccccc1 61360 PJSIYMAVNOLRRG-UHFFFAOYSA-N 339.420 2.573 30 40 EFEB C=C(C)CN1CCC(NC(=O)N[C@@H](C)Cc2c(C)noc2C)CC1 78848376 CPCRZOQJRGUWLA-ZDUSSCGKSA-N 334.464 2.562 30 40 EFEB COC(=O)c1c(C#N)c(C#N)c2c([nH]c3ccccc32)c1C(=O)OC 1668496 SRRJZEOCJXGVAL-UHFFFAOYSA-N 333.303 2.638 30 40 EFEB C[C@H](c1nc(C2CC2)no1)N1CCN(c2ccc(C#N)cc2F)CC1 58330414 ABHVZTXHJWCEAR-GFCCVEGCSA-N 341.390 2.841 30 40 EFEB C=C(Br)CNC(=O)c1ccn(-c2ccc(OC)cc2)n1 49280209 RKXNTBZVGWJCAU-UHFFFAOYSA-N 336.189 2.519 30 40 EFEB N#Cc1ccc(F)c(CNC(=O)N2CCN(c3cccs3)CC2)c1 95411384 GFPQPZSJAIQFSN-UHFFFAOYSA-N 344.415 2.791 30 40 EFEB C[C@@H](O/N=C/c1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(C#N)cc1 14738503 FYOOWCGCIVUCOU-ZGXHQARYSA-N 338.323 2.844 30 40 EFEB COc1cc([C@H](C)NCc2ccc(C#N)cc2)ccc1OCCO 67449493 HPVGRZXOFQNPFN-AWEZNQCLSA-N 326.396 2.789 30 40 EFEB Cc1cc(S(C)(=O)=O)ccc1NCCOc1cccc(C#N)c1 76062096 HEKZZLANKOQRIH-UHFFFAOYSA-N 330.409 2.761 30 40 EFEB Cc1ccc([C@H]2[C@@H](S(=O)(=O)c3ccc(Cl)cc3)[C@@]2(N)C#N)cc1 218481720 FGUZPQFCMDISOL-GVDBMIGSSA-N 346.839 2.809 30 40 EFEB C[C@@H](N/C(N)=N/CCc1ccnn1C)c1ccc(Cl)cc1Cl 225602240 WGXNJGZGYHTROF-SNVBAGLBSA-N 340.258 2.935 30 40 EFEB CCc1nc(SCc2ccc(C(=O)OC)cc2)nc(N)c1C#N 225891638 VHJYIMORKKGEER-UHFFFAOYSA-N 328.397 2.572 30 40 EFEB N#Cc1cccc(N[C@@H]2CO[C@@]3(CCCN(Cc4cccnc4)C3)C2)n1 96048319 WXLMDHRJKZPTAJ-ICSRJNTNSA-N 349.438 2.584 30 40 EFEB N#CC1(NC(=O)[C@@H]2C[C@@H]2c2cccc(F)c2)CCC2(CC1)OCCO2 69874489 SKPVTNUDIHQIMI-HZPDHXFCSA-N 344.386 2.625 30 40 EFEB Cc1cc(C#N)ccc1C(=O)N1CCC[C@@H]1c1ccc(N(C)C)nn1 591657307 MPKOUKPLSKINLE-QGZVFWFLSA-N 335.411 2.700 30 40 EFEB CN(C)c1ccc([C@H]2CCCN2Cc2cc(C#N)ccc2F)nn1 591626625 WUYFIDSAJMYRGD-QGZVFWFLSA-N 325.391 2.890 30 40 EFEB C[C@@H]1[C@H](C(F)(F)F)CCCN1S(=O)(=O)c1ccsc1C#N 593579241 UMUMHTXOGJTYIK-RKDXNWHRSA-N 338.376 2.971 30 40 EFEB C=CCNC(=O)CSc1nnc(NCCc2cccs2)s1 14093854 JBPDGPOPUKZTLU-UHFFFAOYSA-N 340.499 2.649 30 40 EFEB N#Cc1ccc(F)c(CN2CCN(C(=O)c3cc(Cl)c[nH]3)CC2)c1 52160474 MBFUBEZUGNDAQP-UHFFFAOYSA-N 346.793 2.637 30 40 EFEB CC(=O)c1cc(C#N)c(SCCC(=O)Nc2cc(C)on2)nc1C 32751008 VKSRNTYIYFMVMU-UHFFFAOYSA-N 344.396 2.882 30 40 EFEB COC(=O)c1cc(C#N)c(=O)n(CCCOc2ccc(Cl)cc2)c1 12877629 PKVQXFISNFNWHQ-UHFFFAOYSA-N 346.770 2.629 30 40 EFEB N#Cc1c(-c2ccco2)nc2n(c1=O)CN(c1ccccc1)CS2 13727816 WMVXIOYICBTOIT-UHFFFAOYSA-N 336.376 2.902 30 40 EFEB N#CCC[C@@H](C#N)Cn1cnc2ccc(Br)cc2c1=O 14183549 RMJMDQISVNNXDU-JTQLQIEISA-N 331.173 2.603 30 40 EFEB C=C(Cl)CN(CC(=O)NC[C@@H]1CCOC1)[C@@H]1CCc2ccccc21 69508767 NXBLPZACOSHOBN-MAUKXSAKSA-N 348.874 2.881 30 40 EFEB N#Cc1ccc(C(=O)NCC(=O)N2CCC[C@H]2Cc2ccccc2)cc1 69537584 OYNZIZUTTBNFJX-IBGZPJMESA-N 347.418 2.522 30 40 EFEB Cc1csc([C@H](NC(=O)COc2ccccc2C#N)C2CC2)n1 72296764 UXPCKZNSBQDPLW-MRXNPFEDSA-N 327.409 2.970 30 40 EFEB CCOC(=O)C1CCC(C#N)(NC(=O)OCc2ccccc2)CC1 199567182 PZSRAJWHKBTAML-UHFFFAOYSA-N 330.384 2.928 30 40 EFEB Cc1nccc(N=C(O)N2CCCN(CC3CCCCC3)CC2)n1 330101237 FITIZTBINHCDOJ-UHFFFAOYSA-N 331.464 2.919 30 40 EFEB N#Cc1ccc(OC[C@H]2CN(C3CCCC3)Cc3cncn3C2)nc1 96209360 LEIQTJAFURXSNG-INIZCTEOSA-N 337.427 2.603 30 40 EFEB N#Cc1sccc1N1CCN(C(=O)c2cc(F)c(O)c(F)c2)CC1 597936073 JQFFHJONNCEFNV-UHFFFAOYSA-N 349.362 2.566 30 40 EFEB C=CCN1CC[C@H](N(C)C(=O)N[C@@H](C2CCCC2)C(F)(F)F)C1=O 281913826 JCMGVPBHPBIHHY-STQMWFEESA-N 347.381 2.536 30 40 EFEB CCCC/C(CC)=N/NS(=O)(=O)c1ccc(NC(C)=O)cc1 4683696 PRNMXEYCFGDZQY-GHRIWEEISA-N 325.434 2.880 30 40 EFEB O=C(/C(=N/Nc1cccnc1)C(=O)C(F)(F)F)c1cccs1 4235636 HUJSGHKHNIXZCC-GRSHGNNSSA-N 327.287 2.925 30 40 EFEB C[C@@H]1CN(CC(=O)Nc2sc3c(c2C#N)CCCCC3)C[C@@H](C)O1 22228036 UXXNVQUHIGXDAU-CHWSQXEVSA-N 347.484 2.936 30 40 EFEB N#Cc1cc(N2CCC(N3CCC[C@@H]3CO)CC2)nc2ccccc12 1776001221 GBXPIAQLHVHOCD-QGZVFWFLSA-N 336.439 2.532 30 40 EFEB CC1CC(C(=O)N2CC[C@@]3(CC(=O)N(c4cccc(C#N)c4)C3)C2)C1 1614934534 SUMWDXNDFWGDKQ-QJXPYNDKSA-N 337.423 2.560 30 40 EFEB CC1(C)CC(=O)C2=C(C1)Nc1nc(N)nc(N)c1[C@H]2c1ccccc1 10339082 ZXUWNARPTCABSA-ZDUSSCGKSA-N 335.411 2.842 30 40 EFEB COc1ccccc1[C@@H]1C2=C(CC(C)(C)CC2=O)OC(N)=C1[N+](=O)[O-] 493805 AGLZSGGEJLANCA-CQSZACIVSA-N 344.367 2.857 30 40 EFEB CCCCN(CC)c1nc(N)c2c(N)nc(OCC)cc2c1C#N 25386666 PYLKIUBYVAMNEF-UHFFFAOYSA-N 328.420 2.691 30 40 EFEB CCN(C(=O)c1cccc(C(=O)OC)n1)[C@H](C)c1ccc(C#N)cc1 56222491 XQLFDMPXEWHKQA-CYBMUJFWSA-N 337.379 2.963 30 40 EFEB C#CCN1CCC(C(=O)N2CCC[C@@H]2Cc2ccc(OC)cc2)CC1 57176883 CSOVNWCDXXVAIE-LJQANCHMSA-N 340.467 2.574 30 40 EFEB CN(Cc1ccc(C(=O)NC2CC2)cc1)C(=O)c1ccc(C#N)cc1 12910981 FWILVQJYQLMDGU-UHFFFAOYSA-N 333.391 2.723 30 40 EFEB C=CCOC(=O)C1=C(C)Nc2ncnn2[C@@H]1c1ccccc1Cl 4716194 CSFZLRRLKCEICT-CQSZACIVSA-N 330.775 2.950 30 40 EFEB CCCCc1nc(N2CCNCC2)c(C#N)c2c1COC(C)(C)C2 5737523 OXKQCWVSBWLYDI-UHFFFAOYSA-N 328.460 2.557 30 40 EFEB N#Cc1cccnc1NCC1CCN(C[C@H](O)c2ccccc2)CC1 69779242 YCIIELVLNFJDPR-IBGZPJMESA-N 336.439 2.811 30 40 EFEB CCOC(=O)C1=C(C)Nc2c(C#N)cnn2[C@@H]1c1ccc(F)cc1 71405470 CUCCVHQWESDGJX-OAHLLOKOSA-N 326.331 2.746 30 40 EFEB CC/C=C(\C)C(=O)NS(=O)(=O)c1ccc(C#N)cc1C(F)(F)F 96298232 HZLZBONCKMABEG-RUDMXATFSA-N 346.330 2.738 30 40 EFEB C#CCN1CCN(C(=O)CNc2ccccc2-c2ccccc2)CC1 75105174 CKGMJFVUAZUZEJ-UHFFFAOYSA-N 333.435 2.543 30 40 EFEB N#Cc1cccnc1N1CCCN(C(=O)[C@@H]2C[C@H]2c2ccccc2)CC1 71824399 VXSUMNNIGUHHLS-RBUKOAKNSA-N 346.434 2.796 30 40 EFEB Cc1nc(C)n([C@@H]2CCCN(C(=O)CCc3ccc(C#N)cc3)C2)n1 72235326 UJWDVWGNUVCEMU-GOSISDBHSA-N 337.427 2.563 30 40 EFEB CCNC(=O)[C@@H]1CCCN(c2ccc(C(F)(F)F)c(C#N)c2)C1 95944302 UAPFOUZQVLFGFA-LLVKDONJSA-N 325.334 2.930 30 40 EFEB Cc1ccc(S(=O)(=O)/N=C(\O)[C@@H]2CC2(Cl)Cl)c(F)c1 75040465 SACIEEZGIBZPJW-ZETCQYMHSA-N 326.176 2.973 30 40 EFEB O=[N+]([O-])c1ccccc1/C=N\Nc1nc2ccccc2n2cnnc12 33334735 GGPXYKYCGRHQFA-MFOYZWKCSA-N 333.311 2.632 30 40 EFEB Cc1nnccc1N=C(O)N1CCn2c(C3CCCC3)nnc2[C@@H]1C 329240755 MYMBUBXDLYKLQS-LBPRGKRZSA-N 341.419 2.656 30 40 EFEB N#CC1(C(=O)N[C@H]2CCCN(Cc3ccccc3)C2=O)CCCCC1 95445799 CJRZYNUMNBKBIB-KRWDZBQOSA-N 339.439 2.768 30 40 EFEB N#Cc1cc(N2CCN(C(=O)CC(F)(F)F)CC2)c2ccccc2n1 96429290 NETIMGHYZGNRNP-UHFFFAOYSA-N 348.328 2.707 30 40 EFEB CC(=O)[C@@]12O[C@@H]1C[C@@H]1[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@H](O)C[C@]12C 253618165 XPOFTPYDSZJRKX-LNILZBNJSA-N 344.451 2.826 30 40 EFEB Cn1cc([C@H]2C[C@@H](Nc3ccc([N+](=O)[O-])cc3C#N)CCO2)cn1 585092131 GHTWEHIOQCWCEY-XJKSGUPXSA-N 327.344 2.532 30 40 EFEB N#Cc1ccccc1NC(=O)CCCS(=O)(=O)c1ccccc1 9912018 AFYNPDPCRGZWOR-UHFFFAOYSA-N 328.393 2.751 30 40 EFEB Cc1cnc(OC[C@@H]2CCCN(C(=O)c3ccc(C#N)cc3)C2)nc1 1775969263 GWOWXDSXERMDMY-MRXNPFEDSA-N 336.395 2.588 30 40 EFEB N#Cc1cc(C(=O)c2cc(F)ccc2O)cn(Cc2ccccc2)c1=O 3298747 MDGSKRBGKJNYMG-UHFFFAOYSA-N 348.333 2.844 30 40 EFEB CC(=O)[C@H]1C[C@H](O)[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C 4726677 LCDAMWASKLSANR-XHGSXZHTSA-N 346.467 2.665 30 40 EFEB CC(C)(C)c1nc(C#N)c(NC[C@@H](c2ccco2)N2CCOCC2)o1 27795026 WNCDFNYECKXHLW-AWEZNQCLSA-N 344.415 2.922 30 40 EFEB Cc1ccc(/C(N)=N/OCC(=O)N[C@@H](C)[C@@H]2C[C@H]3CC[C@H]2C3)cc1 110509315 KAXVZJQZATYJGL-OTRWWLKZSA-N 329.444 2.573 30 40 EFEB CN(CC(=O)NCC1(c2ccccc2)CCC1)c1ccc(C#N)cn1 49975110 CTINXIPPCLQETD-UHFFFAOYSA-N 334.423 2.628 30 40 EFEB O=C1NC(=S)N(c2ccccc2)C(=O)[C@H]1/C=N/c1ccccc1F 408740684 LSOUKFOKWGQNAG-NJDFMEINSA-N 341.367 2.592 30 40 EFEB CO/N=C/NC(=O)c1cccn1-c1ncc(C(F)(F)F)cc1Cl 5209465 XKFQYPJQCHPNLF-UHFFFAOYSA-N 346.696 2.864 30 40 EFEB COc1ccc(/C(N)=N/OC(=O)CCCOc2ccccc2)cc1 4685130 WSKVETZRMUUNAK-UHFFFAOYSA-N 328.368 2.718 30 40 EFEB COc1ccc(/C(N)=N/OC(=O)c2ccc(Br)o2)cc1 18093490 IUSGIIRBRWBFSI-UHFFFAOYSA-N 339.145 2.528 30 40 EFEB C=CCc1ccc(OCC(=O)Nn2cnc3ccccc32)c(OC)c1 8881389 CUCBDJLWQKNZGT-UHFFFAOYSA-N 337.379 2.923 30 40 EFEB C=CCOc1ccc(NC(=O)C(=O)NCc2ccccc2OC)cc1 408709620 VFSDIGIXNZMRRD-UHFFFAOYSA-N 340.379 2.515 30 40 EFEB Cc1c(NCc2ccc(C#N)cc2)cccc1S(=O)(=O)NC1CC1 77246623 XCMSQWOAKMVVRP-UHFFFAOYSA-N 341.436 2.920 30 40 EFEB C[C@H]1CCCCN1C(=O)Cn1c(C#N)cc(N)c1Cc1ccccc1 225859074 VJDFWTKHXPYTDD-HNNXBMFYSA-N 336.439 2.934 30 40 EFEB COC1CCC(N(C)S(=O)(=O)c2ccc(Cl)cc2C#N)CC1 96428040 HWJKSYPRTXYMBW-UHFFFAOYSA-N 342.848 2.790 30 40 EFEB C=CCNC(=O)[C@H](C)NCC1(c2ccccc2Cl)CCOCC1 69811405 WYHQFRRTYPWXMD-AWEZNQCLSA-N 336.863 2.669 30 40 EFEB C=CCO[C@H](C)C(=O)NCC[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 69848718 PMEYXAKXNWHNED-CABCVRRESA-N 340.464 2.731 30 40 EFEB N#CCc1ccc(NC(=O)CNc2ccc(N3CCCC3=O)cc2)cc1 40464582 PGZSDHGPRNHUET-UHFFFAOYSA-N 348.406 2.930 30 40 EFEB COc1ccc(CNC(=O)[C@H](C#N)C(=O)c2cc(C)cc(F)c2)cc1 101372608 NPMKPHGOLQMLMV-QGZVFWFLSA-N 340.354 2.782 30 40 EFEB COC1(OC)C(C)(C)O[C@H]2c3ccccc3C(=O)C[C@H]2C1(C#N)C#N 340780 SJKGSAXGRXXHNI-ZBFHGGJFSA-N 340.379 2.762 30 40 EFEB C#C[C@H]1CN2CC[C@H]1C[C@@H]2CNC(=O)Nc1cccc(SC)c1 8300633 DHGGSHLHTMCVPA-OFQRWUPVSA-N 329.469 2.874 30 40 EFEB biogenic,in-vitro Cc1ncc(C(=O)[C@H](C#N)C(=O)Nc2cccc3ncccc23)s1 103783871 PINYEYIWNWYZBX-LBPRGKRZSA-N 336.376 2.961 30 40 EFEB CCCOc1ccc(-c2nc(C(=O)[C@@H](C#N)C(=O)NC)cs2)cc1 102769063 TUAODPIUOKDRLX-CYBMUJFWSA-N 343.408 2.667 30 40 EFEB COc1ccccc1OC/C(O)=N/S(=O)(=O)c1ccccc1F 48587460 FJJRSSLCZLATMP-UHFFFAOYSA-N 339.344 2.559 30 40 EFEB CC(=O)Nc1ccc(CC(=O)OCCOc2ccc(C#N)cc2)cc1 17119632 GHXZBAQETXTEPX-UHFFFAOYSA-N 338.363 2.681 30 40 EFEB COc1cccc([C@@H](C#N)NC(=O)Cc2ccc(C)s2)c1OC 69776525 DRHIPFFKHIJJGA-CQSZACIVSA-N 330.409 2.997 30 40 EFEB C#CCN(Cc1c(Cl)ccc2cccnc12)[C@H]1CCS(=O)(=O)C1 65515735 OORNORLZOABFBS-AWEZNQCLSA-N 348.855 2.511 30 40 EFEB C[C@H]1C[C@@H]1C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCCCN2)cc1 8209417 LICIJADIIFNCQL-WFASDCNBSA-N 349.456 2.532 30 40 EFEB Cc1cccc(NC2CCN(c3nc4ccccn4c3C#N)CC2)n1 96501084 KACLGDZRWXMIAF-UHFFFAOYSA-N 332.411 2.990 30 40 EFEB C[C@H](NCc1ccc(CS(C)(=O)=O)cc1)c1cccc(C#N)c1 97034439 JSXDUSHWSIVONE-AWEZNQCLSA-N 328.437 2.954 30 40 EFEB O=c1c2ccccc2nc(O)n1N=Cc1ccc(Br)cc1 409358929 MBBPZFNJZQNSAM-UHFFFAOYSA-N 344.168 2.747 30 40 EFEB O=C(C#Cc1ccccc1)NCc1ccc(C(=O)N2CCCCC2)cc1 175954026 ZBLYFWZLAAPWFF-UHFFFAOYSA-N 346.430 2.981 30 40 EFEB CC/C(=N\OC(=O)CO/N=C(\C)c1nccs1)c1ccccc1O 65389341 FZBKUXKWNLAKCK-NWLVNBMCSA-N 347.396 2.947 30 40 EFEB N#Cc1cc(N)c(Oc2ccc3c(c2)OCO3)n1C[C@@H]1CCCO1 225886268 RMMCXSRKBGDAKS-ZDUSSCGKSA-N 327.340 2.642 30 40 EFEB N#Cc1ccc(OC[C@]23COC[C@H]2CN(Cc2cccs2)C3)nc1 96220237 KOSNSMUVLKEGRN-QAPCUYQASA-N 341.436 2.542 30 40 EFEB N#Cc1cccc(N2CCC(COc3cc4c(nn3)CCCC4)CC2)n1 1775996006 QKNRWTUHXKUSNQ-UHFFFAOYSA-N 349.438 2.917 30 40 EFEB C=CCOCc1nn(CC2CC2)c2c1CN(C(=O)C1(F)CCC1)CC2 1565544569 NHUYHSJFBNIRCM-UHFFFAOYSA-N 347.434 2.773 30 40 EFEB CCOC(=O)C1=C(O)CC(C#N)(C#N)C(C#N)(C#N)[C@H]1c1ccccc1 100722567 BJLOFUVMRYGLJT-INIZCTEOSA-N 346.346 2.616 30 40 EFEB CCOc1cc(/C=N/n2c(SC)nnc2C(F)F)ccc1O 2791101 ZQALJPIIDFAROZ-FRKPEAEDSA-N 328.344 2.924 30 40 EFEB COc1ccc([C@H](C)NC(=O)COC(=O)c2ccc(C#N)cc2)cc1 57471953 WXUGPJNQZOJOSP-ZDUSSCGKSA-N 338.363 2.601 30 40 EFEB Cc1nn(C)c(C)c1S(=O)(=O)/N=C(\O)CCCc1ccccc1 48534824 GQWCLTPSBYKLRS-UHFFFAOYSA-N 335.429 2.705 30 40 EFEB CCCOc1ccc(-c2nc3n(c(=O)c2C#N)CCS3)cc1OC 7995220 MVSCDLMWNFFXGT-UHFFFAOYSA-N 343.408 2.685 30 40 EFEB NS(=O)(=O)c1ccc(N/N=C/c2c(F)cccc2Cl)cc1 6546110 IOKRXJHNEMILGV-CAOOACKPSA-N 327.768 2.573 30 40 EFEB CCC(=O)Nc1cccc(C(=O)N(CCC#N)Cc2ccccn2)c1 69492951 UUCVIYUYGCCNCK-UHFFFAOYSA-N 336.395 2.986 30 40 EFEB Cc1cc(S(=O)(=O)N(CCC#N)Cc2ccco2)ccc1[N+](=O)[O-] 71909095 JOXURMMKZOOMQN-UHFFFAOYSA-N 349.368 2.601 30 40 EFEB Cc1ccc(Br)cc1NCC(=O)N(CCC#N)CCC#N 95414055 LDSVNXQXANLTHC-UHFFFAOYSA-N 349.232 2.825 30 40 EFEB N#C[C@@H](C(=O)Nc1ccccc1)C(=O)c1cnn(Cc2ccccc2)c1 128004303 TZLBVGBWROYDNE-GOSISDBHSA-N 344.374 2.893 30 40 EFEB C=CCN(c1cccc(OC)c1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 224999222 IROIDXOKWRLHGR-UHFFFAOYSA-N 348.380 2.985 30 40 EFEB N#Cc1ccc(N2CCC(C(=O)N3CCc4ccccc4C3)CC2)cn1 97227390 RHJQRWANEPDORQ-UHFFFAOYSA-N 346.434 2.755 30 40 EFEB C=CCn1c(N)nnc1SCc1noc(-c2ccccc2C)n1 96471956 VAARYKYPCSHYHB-UHFFFAOYSA-N 328.401 2.697 30 40 EFEB COC(=O)c1ccc2c(c1)CC[C@@H](NCC(C)(C)CCC#N)C(=O)N2 1616033987 GFBYWRQQYRIBSE-MRXNPFEDSA-N 343.427 2.646 30 40 EFEB N#Cc1ccc(N2C[C@@H]3CCN(c4nccc5occc45)[C@@H]3C2)nc1 1889179525 HGLXYXRAIGTFGN-GOEBONIOSA-N 331.379 2.810 30 40 EFEB Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N(C)[C@H](C)C(C)C 31715312 ILABQEGMVCCZQF-CYBMUJFWSA-N 327.432 2.653 30 40 EFEB N#C[C@@H](C(=O)NCc1ccccc1)C(=O)c1ccc(-n2ccnc2)cc1 101966143 QYNLLOJBWDZZTK-GOSISDBHSA-N 344.374 2.511 30 40 EFEB N#Cc1c(NC(=O)[C@H]2[C@@H](C(=O)O)[C@H]3C=C[C@H]2C3)sc2c1CCCC2 102633264 DNWRHFPOGGGALB-MISXLKTNSA-N 342.420 2.960 30 40 EFEB CC(C)[C@](C)(C#N)NC(=O)[C@H](C)OC(=O)CCC(=O)c1ccccc1 22123488 GPJXZIHCWISXME-LIRRHRJNSA-N 344.411 2.636 30 40 EFEB Cc1nn(CC(=O)Nc2sc(C)c(C)c2C#N)c(C)c1[N+](=O)[O-] 2739750 OXUKZQQBGGTDNP-UHFFFAOYSA-N 333.373 2.597 30 40 EFEB O=C1Oc2ccccc2C(=O)/C1=C\Nc1ccc2oc(=O)ccc2c1 104973355 MFOZUFUZGLRHKZ-GXDHUFHOSA-N 333.299 2.891 30 40 EFEB biogenic Cc1oc(-n2cccc2)c(C#N)c1C(=O)Nc1ccc2c(c1)C(=O)NC2 58393535 BTBODKVHVJDHQO-UHFFFAOYSA-N 346.346 2.746 30 40 EFEB COc1cc(C#N)ccc1OCC(=O)N1CCc2sccc2C1 12882961 HTXSBVRHYCFAHY-UHFFFAOYSA-N 328.393 2.592 30 40 EFEB C[C@H]1CN(C)[C@H](C)C[C@@]1(O)C#CC(C)(C)OC(=O)c1ccccc1 15320544 VUEVYIBTFKAOPT-YRNRMSPPSA-N 329.440 2.717 30 40 EFEB N#CCNC(=O)CN[C@H](c1ccc2c(c1)CCC2)c1cccs1 97227359 GHHFRRAHCUJBDK-GOSISDBHSA-N 325.437 2.556 30 40 EFEB COC(=O)[C@@H]1CN(C(=O)[C@H]2C[C@@H]2c2cccc(C#N)c2)c2ccccc21 95406140 WDKPQKHANSLJQJ-FGTMMUONSA-N 346.386 2.965 30 40 EFEB COc1cccc(CNC(=O)[C@@H](C)Sc2cc(C#N)ccn2)c1 77908337 WOKPMBZSBLQFBZ-GFCCVEGCSA-N 327.409 2.759 30 40 EFEB Cc1ccc(N2C(=O)[C@@H](/C=N/C3CCCCC3)C(=O)NC2=S)cc1 408759834 MMYVEKHYICNXCR-BKQORJHRSA-N 343.452 2.762 30 40 EFEB NC(=O)COc1ccc(/C=N/c2ccc([N+](=O)[O-])cc2)cc1Cl 409218115 HIEULIFDOREOHD-QGMBQPNBSA-N 333.731 2.863 30 40 EFEB N#CC1(C#N)[C@H](c2cccc(F)c2)[C@H]1S(=O)(=O)c1ccccc1 218369772 OBEVHQPPACZKQZ-HZPDHXFCSA-N 326.352 2.799 30 40 EFEB O=S(=O)(/N=C(\O)CCCn1cccn1)c1ccc(Cl)cc1F 78556561 GAFAGVYMZJSICP-UHFFFAOYSA-N 345.783 2.801 30 40 EFEB Cn1cc(/C=N/N2C(=O)[C@@H]3[C@@H]4C=C[C@H]([C@@H]5C[C@H]45)[C@H]3C2=O)c2ccccc21 226669106 UPHRIRMXYZVLDE-GCZSLUELSA-N 345.402 2.565 30 40 EFEB CN(C(=O)c1ccncc1)c1ccc(CNc2nccnc2C#N)cc1 96412898 YSSDGCJBTXGTSW-UHFFFAOYSA-N 344.378 2.632 30 40 EFEB N#CC1(c2ccc(/C(O)=N/S(=O)(=O)c3ccsc3)cc2)CC1 96494984 RRKJFCOSXAXZFL-UHFFFAOYSA-N 332.406 2.997 30 40 EFEB CS(=O)(=O)CCSCc1ccc(C#N)cc1Br 95993790 GTYJIDOAZYWPDP-UHFFFAOYSA-N 334.260 2.599 30 40 EFEB COC1(OC)C(C)(C)O[C@@H]2c3ccccc3C(=O)C[C@H]2C1(C#N)C#N 340779 SJKGSAXGRXXHNI-GDBMZVCRSA-N 340.379 2.762 30 40 EFEB C=C[C@H]1CN2CC[C@H]1C[C@@H]2CNC(=O)Nc1cc(OC)cc(OC)c1 8300046 SAHVNHOEIGBQAR-OFQRWUPVSA-N 345.443 2.722 30 40 EFEB biogenic,in-vitro C[C@H](Oc1cccc(C#N)c1)/C(O)=N/c1nc(-c2ccccn2)n[nH]1 58316996 QGUIYCYMANRFNN-NSHDSACASA-N 334.339 2.794 30 40 EFEB Cc1ccccc1-n1cccc1C=NN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 409407628 NAYGOQLGXMWJOP-STEAMIEHSA-N 345.402 2.927 30 40 EFEB N#Cc1cccnc1N1CCC(c2nc(-c3ccccn3)no2)CC1 65589591 SFVDEOUVLGGZGM-UHFFFAOYSA-N 332.367 2.782 30 40 EFEB C[C@@H](Oc1ccccc1C#N)C(=O)N(CCC#N)Cc1cccnc1 65608214 BLJPJGPLQBAWKB-OAHLLOKOSA-N 334.379 2.663 30 40 EFEB COc1ccccc1[C@@H](NC(=O)c1ccc(C#N)cc1)c1nccn1C 18237750 SLWGGTQZUWVTFG-GOSISDBHSA-N 346.390 2.820 30 40 EFEB C=CCN(Cc1cccs1)C(=O)Cn1c(=O)cnc2ccccc21 7983068 ATDWRLUXEWAJLX-UHFFFAOYSA-N 339.420 2.673 30 40 EFEB Cc1ccc(S(=O)(=O)/N=C(\O)CCc2ccnn2C)cc1Cl 97098237 ASSTYBNQJQJHBS-UHFFFAOYSA-N 341.820 2.660 30 40 EFEB COc1ccc2c(ccn2C/C(O)=N/c2nc([C@H]3CCCO3)n[nH]2)c1 95475086 WPJDSHDUCQMAQJ-CQSZACIVSA-N 341.371 2.908 30 40 EFEB N#Cc1cccc(CN2CCc3ncnc(N4CCCC4)c3CC2)c1 96255443 GLCAGKNXLNJSBK-UHFFFAOYSA-N 333.439 2.549 30 40 EFEB C=CCOC[C@@H]1CC[C@H]2[C@H]1OCCN2C(=O)c1ccc2[nH]ccc2c1 253376380 SZKJTHAZSIGYHR-WDSOQIARSA-N 340.423 2.990 30 40 EFEB N#CC1(C#N)[C@H]2CCCC[C@]23OC(=N)[C@@]1(C#N)[C@H](c1ccncc1)O3 4035905 CVUIEDKBCHRKOC-NONVJHHQSA-N 333.351 2.590 30 40 EFEB C[C@H](NC(=O)N1CCC[C@H]2CN(C)CC[C@@H]21)c1ccc(C#N)cc1 96497177 VVHBBJCFOCYYGN-WBAXXEDZSA-N 326.444 2.745 30 40 EFEB CCN(CC)c1ccc(/C=C/C(=O)[C@H]2C(=O)C=C(C)OC2=O)cc1 3581840 LZMDCELROPNDKX-MZEUMTGBSA-N 327.380 2.761 30 40 EFEB Cc1cc(C)c(C#N)c(SCC(=O)Nc2ccc(C(=O)O)cc2)n1 3278305 POOIMJUKNIJCDY-UHFFFAOYSA-N 341.392 2.999 30 40 EFEB COC(=O)C[C@@H](NC(=O)CCc1ccc(C#N)cc1)c1cccs1 25197304 KZGKCWCUSYRHMW-OAHLLOKOSA-N 342.420 2.973 30 40 EFEB CC(C)[C@](C)(C#N)NC(=O)CN1CCN(c2cccc(Cl)c2)CC1 34879020 BHTOZKHDLSEIMK-SFHVURJKSA-N 348.878 2.516 30 40 EFEB C=C(C)CN(CC)C(=O)c1ccc(Cl)c(S(=O)(=O)N(C)C)c1 78942023 LGHYTUPYNVIJFI-UHFFFAOYSA-N 344.864 2.629 30 40 EFEB O=C(O)COc1ccccc1/C=N/Nc1c(F)c(F)nc(F)c1F 7860356 IAKKAFPHRLAZAJ-PTXOJBNSSA-N 343.236 2.547 30 40 EFEB CS[C@H]1C(C(=O)C(C)(C)C)=C(CC(=O)O)C(=O)N1CC(C)C 62716464 FRMZGWWOUXTBAE-HNNXBMFYSA-N 327.446 2.560 30 40 EFEB N#Cc1ccc(CN2CC[C@H](N3CCCC3)C2)c(Br)c1 97047133 DAXQNLVBIATPAR-HNNXBMFYSA-N 334.261 2.991 30 40 EFEB C=CCOc1ccc(C(=O)N2CCC[C@@H](n3ccnc3)C2)cc1OC 69917446 JRNCYJARRNVROC-MRXNPFEDSA-N 341.411 2.934 30 40 EFEB CN(CCC#N)S(=O)(=O)N1CC=C(c2ccccc2Cl)CC1 92269126 ZPCIDTONXMTCEY-UHFFFAOYSA-N 339.848 2.519 30 40 EFEB N#CCCN(C(=O)/C=C/c1cccnc1)c1ccc2c(c1)OCCO2 79000410 CZZWCMJBCJAOLK-QPJJXVBHSA-N 335.363 2.813 30 40 EFEB COc1ccccc1OCCN1C(=O)/C(=N\O)c2cccc(C)c21 46084767 MUEXZQIYAJUQNO-MNDPQUGUSA-N 326.352 2.608 30 40 EFEB N#Cc1ccc(C(=O)N2CCC(Oc3ccc(C#N)cn3)CC2)cc1 90607641 GJIXBVYSLOTAJZ-UHFFFAOYSA-N 332.363 2.509 30 40 EFEB Cc1ccccc1C1(CNC(=O)CN(C)c2ccc(C#N)cn2)CC1 69595223 RFEHDUBHDGWTEC-UHFFFAOYSA-N 334.423 2.546 30 40 EFEB COc1cccc(N2CC[C@H](CNC(=O)c3cccc(C#N)c3)C2)c1 69632557 AMQVJQNGNNPANN-MRXNPFEDSA-N 335.407 2.823 30 40 EFEB Cc1nnc(NCCC(=O)N2CCCc3ccccc32)c(C#N)c1C 52385259 OAJPNCQQQZVLET-UHFFFAOYSA-N 335.411 2.747 30 40 EFEB CN(C(=O)c1ccc(C#N)s1)[C@@H]1CCCOC1 97373614 VJHWPOOSCVXQOI-UHFFFAOYSA-N 250.323 1.871 30 40 EFEB C=CCn1cc(CN2CCc3nc(C)[nH]c(=O)c3C2)c2ccccc21 19576552 RURKDAFWBVMNGA-UHFFFAOYSA-N 334.423 2.777 30 40 EFEB Cc1ccc(C#N)c(N2CCC(N(C)c3ncc(Cl)cn3)CC2)n1 1889084127 DAPRROJEJFFQMD-UHFFFAOYSA-N 342.834 2.810 30 40 EFEB Cc1cc(C)c(C#N)c(S[C@H]2CC(=O)N(c3ccccc3)C2=O)n1 100084477 WNPAQUBNRNAEFE-HNNXBMFYSA-N 337.404 2.994 30 40 EFEB C=CCNC(=O)c1nn(-c2cccc(C(F)(F)F)c2)cc1OC 24968349 NCGDHSFDASJYGA-UHFFFAOYSA-N 325.290 2.816 30 40 EFEB N#Cc1ccc(C(=O)OCC(=O)Nc2ccccc2OC(F)F)cc1 3279926 SCNSFAWUCYSVII-UHFFFAOYSA-N 346.289 2.955 30 40 EFEB CCCOc1c(I)cc(/C=N\O)cc1OC 100250275 USSIYRZOGHVXPK-QPEQYQDCSA-N 335.141 2.897 30 40 EFEB Cc1nn(CCC#N)c(C)c1CCC(=O)N1CCO[C@H]2CCCC[C@H]21 46490296 FJOUHHCUADRQRK-MSOLQXFVSA-N 344.459 2.516 30 40 EFEB CC/N=C(/NCC[S@@](=O)C(C)(C)C)NCc1sccc1C 88870212 JZCXTBONOOFJGX-NRFANRHFSA-N 329.535 2.659 30 40 EFEB O=C1N/C(=N/c2ccc(O)cc2)S/C1=C\c1ccc(C(=O)O)cc1 4174738 WZAUQEYPWZXSTB-ZROIWOOFSA-N 340.360 2.982 30 40 EFEB CCc1ncc(C(=O)N2CCCN(c3ccccc3C#N)CC2)s1 65465309 HBUWXYNIIBYFLC-UHFFFAOYSA-N 340.452 2.930 30 40 EFEB N#Cc1ccccc1CNc1ccccc1C(=O)N1CCC[C@H]1CO 96413223 MGSVPFLEWRQZJS-KRWDZBQOSA-N 335.407 2.767 30 40 EFEB C[C@@H](Sc1nnc2ccccn12)C(=O)N(C)C1(C#N)CCCCC1 7297240 QCYDQCDYKXGHIU-CYBMUJFWSA-N 343.456 2.895 30 40 EFEB N#CC1(NC(=O)CSc2nnc(NC3CC3)s2)CCCCC1 7577679 GFALCPHIDNOVCU-UHFFFAOYSA-N 337.474 2.547 30 40 EFEB Cc1cc(C(=O)/C=C/c2cnc(N3CCOCC3)nc2)c(C)s1 69350859 IWJBSCCWDJOGEZ-ONEGZZNKSA-N 329.425 2.888 30 40 EFEB COc1c(CN2CCC(Oc3cccc(C#N)c3)CC2)c(C)nn1C 92034348 ATDSPVPEQZTNJD-UHFFFAOYSA-N 340.427 2.652 30 40 EFEB Cc1cc(N2CCOCC2)ccc1/C=N\c1ccc(O)c(C(=O)O)c1 409075114 UQPHBIKNPMUCJE-NDENLUEZSA-N 340.379 2.986 30 40 EFEB C=CCOc1c(I)cc(CO)cc1OCC 409121435 VDXQGTOYKKUMNO-UHFFFAOYSA-N 334.153 2.747 30 40 EFEB N#Cc1ccc(S(=O)(=O)CCN2CCC[C@H](C(F)(F)F)C2)cc1 176193274 KFEBITBLXBSHMQ-ZDUSSCGKSA-N 346.374 2.606 30 40 EFEB C#CCN1CCC(C(=O)N(c2ccc(OC)c(F)c2)C(C)C)CC1 69527506 SKYDLWOBBSEDNS-UHFFFAOYSA-N 332.419 2.921 30 40 EFEB C=CCNC(=O)c1cccc(S(=O)(=O)N(C)c2ccccc2C)c1 224112798 SJEWFYYWTUGRKJ-UHFFFAOYSA-N 344.436 2.736 30 40 EFEB CC(C)[C@](C)(C#N)NS(=O)(=O)c1ccc(OCC(F)F)cc1 96501916 AUXDXTZWIGHEEO-AWEZNQCLSA-N 332.372 2.547 30 40 EFEB CCN(CC)c1ccc(/C=N/c2ccc(S(N)(=O)=O)cc2)c(O)c1 288467 FIPKRYYNWIBJEI-XDHOZWIPSA-N 347.440 2.636 30 40 EFEB CC/C(Nc1ccccc1O)=C1\C(=O)CC(C)(C)[C@@H](C(=O)OC)C1=O 100157761 VJNKLXMFIFUFRL-UVQBRAAOSA-N 345.395 2.826 30 40 EFEB C=C(C)CNC(=S)NCc1ccc(CN2C[C@@H](C)O[C@H](C)C2)cc1 40087588 IDDLRCBOODUSKL-HZPDHXFCSA-N 347.528 2.836 30 40 EFEB C=CCN(CC=C)[C@@H](CNc1nn2c(=O)cc(C)nc2s1)C(C)C 23185323 ZNIYYZKLUZDREL-AWEZNQCLSA-N 347.488 2.570 30 40 EFEB C=CCN1C(=O)/C(=C/c2ccc(N3CCOCC3)cc2)SC1=S 1065314 HBEFZCPNYHWRAX-QINSGFPZSA-N 346.477 2.910 30 40 EFEB CC(C)OCCCNC(=O)[C@@H](C#N)C(=O)C[C@@H](C)c1ccccc1F 100705833 UDQQDRBVPQQGJD-ZBFHGGJFSA-N 348.418 2.959 30 40 EFEB CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3C[C@@H](O)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 4416466 BDQPONLPDKZVNG-SJIZYOMUSA-N 346.467 2.809 30 40 EFEB CC(=O)Nc1cc(C(=O)[C@@H](C#N)C(=O)c2occc2C)ccc1F 100830729 KEUPKFKSOAGQMH-GFCCVEGCSA-N 328.299 2.891 30 40 EFEB COc1ccc(S(=O)(=O)Nc2ccc(CC#N)cc2)cc1OC 382642 WMOGXDHRNMXQBB-UHFFFAOYSA-N 332.381 2.571 30 40 EFEB CCN(CC)C(=O)c1sc(NC(=O)[C@H]2CCCO2)c(C#N)c1C 2761283 BJIQTPCHRNDUKA-GFCCVEGCSA-N 335.429 2.528 30 40 EFEB Cc1cc([C@@]2(C)NC(=O)N(Cc3ccc(C#N)cc3F)C2=O)c(C)o1 58282726 FVPMOEVDPWOIPX-GOSISDBHSA-N 341.342 2.874 30 40 EFEB CCOc1ccc(C(=O)/C=C/Nc2ccc(S(N)(=O)=O)cc2)cc1 13388798 YUQXFWXUCRNKJZ-VAWYXSNFSA-N 346.408 2.541 30 40 EFEB Cc1cccc(N(Cc2ccccc2)C(=O)Cn2cnc(C#N)n2)c1 14143946 VNSDPGXJUHILPY-UHFFFAOYSA-N 331.379 2.692 30 40 EFEB COc1cccc([C@@H](O)C(=O)N[C@H](C#N)c2ccccc2Cl)c1 95450410 KKUFUJIUTJSBJW-HZPDHXFCSA-N 330.771 2.763 30 40 EFEB N#Cc1c(F)cccc1N[C@@H]1CCN(Cc2ccccc2)C[C@H]1CO 78869519 SMWOLXQORXBSDR-QFBILLFUSA-N 339.414 2.992 30 40 EFEB N#C[C@H](NC(=O)c1cn(Cc2cccs2)nn1)c1ccccc1F 79988341 ZKCCVPKCEIFCPI-AWEZNQCLSA-N 341.371 2.522 30 40 EFEB C[C@H](CCN1CCN(c2ccccc2)CC1)Nc1ncccc1C#N 29620464 JGCIEGQLXUSZFE-QGZVFWFLSA-N 335.455 2.966 30 40 EFEB CCOC[C@@]1(C#N)[C@H](c2ccc(Cl)cc2)[C@@H]1S(=O)(=O)CC 218390992 ZIILAHBQBJDNEC-ILXRZTDVSA-N 327.833 2.787 30 40 EFEB CN(Cc1nc(-c2cccnc2)no1)C(=O)Nc1cccc(C#N)c1 96462180 IBEOBKOQXJNOBR-UHFFFAOYSA-N 334.339 2.667 30 40 EFEB N#Cc1cc2c(nc1NCc1cccnc1N1CCOCC1)CCCC2 95452066 GNRVAIGWNIFPOK-UHFFFAOYSA-N 349.438 2.676 30 40 EFEB CC(C)C/N=C1/NC(=O)[C@@H](CC(=O)Nc2ccccc2Cl)S1 5976959 ILCHBNHQRLUPMC-GFCCVEGCSA-N 339.848 2.912 30 40 EFEB C/C(=N/N=C1\NC(=O)[C@H](C)S1)c1ccc(Br)cc1 13547945 CSPBWNLDCZECRE-IIVQSHCLSA-N 326.219 2.781 30 40 EFEB N#CCCN(C(=O)CSc1nnc2ccccn12)c1ccccc1 6115153 TVMDGEWCTFWOEM-UHFFFAOYSA-N 337.408 2.768 30 40 EFEB CCN(Cc1ccccc1)c1ccc(/C=N/N2CC(=O)NC2=O)cc1 7918340 XEXPYJLNAMBMBY-UDWIEESQSA-N 336.395 2.599 30 40 EFEB Cc1c(F)cccc1NC(=O)COC(=O)c1ccc(C#N)cc1F 8330325 CSSRQDOUKLTVBN-UHFFFAOYSA-N 330.290 2.940 30 40 EFEB COc1cccc(C(=O)C2=C(O)C(=O)N[C@@H]2c2ccccc2F)c1 6304655 RYWVBZCGNOTZNO-OAHLLOKOSA-N 327.311 2.700 30 40 EFEB N#Cc1ccc(OC[C@H](O)CN2CCC[C@@H](C(F)(F)F)C2)cc1 14200850 MMUCKABVBYRODB-ZIAGYGMSSA-N 328.334 2.572 30 40 EFEB N#C[C@H](C(=O)c1cccc(N2CCNC2=O)c1)c1nc2ccccc2o1 66516529 BKLKAVNWJYBVFI-CQSZACIVSA-N 346.346 2.847 30 40 EFEB CC(C)(C)c1nnc(N/N=C/c2c(O)ccc3ccccc23)[nH]c1=O 16776903 TWYNZSAZZMJDEH-VXLYETTFSA-N 337.383 2.767 30 40 EFEB Cc1ccc(-c2noc(CCC(=O)N[C@@H](C#N)C3CC3)n2)cc1F 69874198 UBCUNHAQHLGPBC-AWEZNQCLSA-N 328.347 2.535 30 40 EFEB CN(Cc1ncnn1C)C(=O)Nc1cccc(C#Cc2ccccc2)c1 72504353 BYNNVOHUQBSHHT-UHFFFAOYSA-N 345.406 2.879 30 40 EFEB C=C(C)COc1cccc(NC(=O)NCc2nnc3n2CCCC3)c1 67319221 DTYXMXKWYOKPFY-UHFFFAOYSA-N 341.415 2.891 30 40 EFEB C[C@@H](COc1ccc(F)cc1)NS(=O)(=O)c1ccc(CC#N)cc1 80728990 MJHQEDALYFAGNW-ZDUSSCGKSA-N 348.399 2.638 30 40 EFEB COc1ccsc1C(=O)N[C@H](C#N)c1cnn(-c2ccccc2)c1 79352430 YSXWGHJMQRWNTG-CQSZACIVSA-N 338.392 2.937 30 40 EFEB CCOP(=O)(C/C=N/NS(=O)(=O)c1ccc(C)cc1)OCC 116083734 GWICZZGFOFTUKQ-GXDHUFHOSA-N 348.361 2.525 30 40 EFEB N#Cc1cc(N2CC[C@H](Oc3ccncc3Br)C2)ccn1 1888843017 DWVWPVWRZGLSFC-ZDUSSCGKSA-N 345.200 2.768 30 40 EFEB Cc1c(C(=O)/C=C/c2cnn(C)c2)nnn1-c1ccc(Cl)cc1 50234493 YQWKFPOUGSTNQY-FPYGCLRLSA-N 327.775 2.859 30 40 EFEB CCOC(=O)c1sc2cccc(F)c2c1Cn1cnc(C#N)n1 31766246 QBJNHTPBDFDWKP-UHFFFAOYSA-N 330.344 2.729 30 40 EFEB N#CCc1cccc(C(=O)OCC(=O)N2CCCc3ccccc32)c1 51535229 LFSGRJGVVZQKGO-UHFFFAOYSA-N 334.375 2.889 30 40 EFEB CCN(C(=O)Cn1nnc2ccccc21)[C@H](C)c1ccc(C#N)cc1 32800883 FGRIVCRYSYMAJT-CQSZACIVSA-N 333.395 2.913 30 40 EFEB COc1cc(C#N)ccc1OCC(=O)NCc1ccc(F)c(C)c1 21618153 OGVRYTNLTXTQIS-UHFFFAOYSA-N 328.343 2.710 30 40 EFEB C=CCN1C(=O)S/C(=C/c2c(OC)cc(OC)cc2OC)C1=O 982011 DSOHJQCFHSKHCA-NTEUORMPSA-N 335.381 2.935 30 40 EFEB C#CCOc1ccccc1CNC1CCN(C(=O)c2ccoc2)CC1 30669031 DEWQKMJTKZJPJE-UHFFFAOYSA-N 338.407 2.686 30 40 EFEB Cc1ccc2nc(SCC(=O)NC[C@H]3CCCO3)c(C#N)cc2c1 410773 YNWZKUCVJXOKRZ-OAHLLOKOSA-N 341.436 2.802 30 40 EFEB CC(=O)/C(=C\N(C)C)C(=O)Nc1ncc(C(F)(F)F)cc1Cl 100254955 IRBJIWATMFDCAV-RMKNXTFCSA-N 335.713 2.727 30 40 EFEB C[C@H](Oc1ccc(Cl)cc1C(N)=O)C(=O)Nc1ccc(C#N)cc1 8748747 MNMUHSMXPIEJGD-JTQLQIEISA-N 343.770 2.717 30 40 EFEB CC(=O)/C(=C/NC(=S)c1cccnc1)C(=O)Nc1ccccc1C 102979515 MVONRUAZLXPXGR-PTNGSMBKSA-N 339.420 2.767 30 40 EFEB CC/N=C1\S[C@@H](C(=O)Nc2ccc(OCC)cc2)CC(=O)N1CC 18056175 IHWCKXUNHJHMFD-MGPWXQLLSA-N 349.456 2.754 30 40 EFEB C[C@@H](NC(=O)c1ccc(C(F)(F)F)[nH]c1=O)c1ccc(C#N)cc1 26126011 VXZMGWNEOYNZJM-SECBINFHSA-N 335.285 2.756 30 40 EFEB N#Cc1ccc(/C=C/C(=O)N(C[C@H]2CCCO2)C[C@H]2CCCO2)cc1 58223097 CVIHUMYEMYKKFL-BGGMYYEUSA-N 340.423 2.758 30 40 EFEB N#Cc1cnc2c(F)ccc(Cl)c2c1N1CCC(CC(N)=O)CC1 44976512 VFKHFMFPPXTEER-UHFFFAOYSA-N 346.793 2.991 30 40 EFEB COc1cccc(/C=C2\Oc3cc(OS(C)(=O)=O)ccc3C2=O)c1 13759381 SQXBQUJMAOIZIU-SXGWCWSVSA-N 346.360 2.650 30 40 EFEB C=CCN1C(=O)/C(=C/c2ccc(O[C@@H](C)CC)cc2)C(=O)NC1=S 4723747 OQLCHCPPZIFEMB-YGRGUWMTSA-N 344.436 2.677 30 40 EFEB COCCCN1C(=O)C(O)=C(C(=O)c2ccco2)[C@@H]1c1ccccc1 6786144 QWXRQLNPRSEXKX-INIZCTEOSA-N 341.363 2.894 30 40 EFEB C=CCn1c(=O)c2ccccc2n2c(SC[C@H]3CCCO3)nnc12 6905024 TVUVVROQUPEQOY-GFCCVEGCSA-N 342.424 2.501 30 40 EFEB Cc1c(CN[C@H]2CCCN(C(=O)OC(C)(C)C)C2)cc(C#N)n1C 90201390 KFAMCVVISAWOIH-HNNXBMFYSA-N 332.448 2.694 30 40 EFEB COCCCN/C(=N/[C@H](C)c1cccs1)NC[C@@H]1CCCO1 75583294 YEQCYIFEBBUQKB-KGLIPLIRSA-N 325.478 2.560 30 40 EFEB Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)NCc1ccc2c(c1)CCC2 75602092 GZPIXVUGIYYGEB-UHFFFAOYSA-N 349.434 2.601 30 40 EFEB C=CCN(Cc1ccc(C#N)cc1)S(=O)(=O)c1cncc(Cl)c1 95437262 FDLCFUGNDHONGG-UHFFFAOYSA-N 347.827 2.984 30 40 EFEB N#Cc1cccc(C(=O)N[C@H]2CCCc3c2cnn3-c2ccncc2)c1 71195720 JQLUPMGRRACVDJ-SFHVURJKSA-N 343.390 2.946 30 40 EFEB Cc1ccc(S(=O)(=O)[C@H]2[C@@H](c3ccc(Cl)cc3)[C@@]2(N)C#N)cc1 218433149 RURPZEFAAXJVBA-IKGGRYGDSA-N 346.839 2.809 30 40 EFEB CCOCc1ccccc1CNS(=O)(=O)c1cccc(C#N)c1 30519179 WICQZWYZFOYDSG-UHFFFAOYSA-N 330.409 2.573 30 40 EFEB N#Cc1cccc(CC(=O)NCCNc2ccc3ccccc3n2)c1 519798447 ZIRIALKYMSTTOK-UHFFFAOYSA-N 330.391 2.877 30 40 EFEB O=C1[C@@H]2[C@@H](C(=O)N1/N=C/c1ccccc1Cl)[C@@H]1C=C[C@@H]2C12CC2 100058633 RWKOTIBHCJTIHZ-VBYWIUDXSA-N 326.783 2.871 30 40 EFEB CC(=O)C1=C(O)C(=O)N(CCC(=O)O)[C@H]1c1ccc(C(C)C)cc1 74457 YNYIRYJQVBFYET-INIZCTEOSA-N 331.368 2.569 30 40 EFEB C[C@H]1CO[C@H](C)CN1CCC(=O)Nc1sc2c(c1C#N)CCC2 106515418 PBAAZBVYNQPIIB-NWDGAFQWSA-N 333.457 2.546 30 40 EFEB CCN(C(=O)CCc1c(C)[nH]c(=O)c(C#N)c1C)C1CCCCC1 25251024 JZPQXDDZGGEPDP-UHFFFAOYSA-N 329.444 2.977 30 40 EFEB O=S1(=O)CC[C@H](N2CCS/C2=N\c2ccc(Cl)cc2)C1 3426686 XCXVZIXACCHAAK-AHAXBBEGSA-N 330.862 2.563 30 40 EFEB CN(C)c1ccc([C@@H](C#N)N2C[C@@H]3C[C@H](C2)c2cccc(=O)n2C3)cc1 4395317 NRSULNRVANKMOG-XAUMDUMWSA-N 348.450 2.598 30 40 EFEB biogenic C[C@@H](Oc1ccc(C#N)cc1)C(=O)OCC(=O)c1ccccc1F 6467107 DZGVYGKVMKIKBE-GFCCVEGCSA-N 327.311 2.891 30 40 EFEB CC(=O)Nc1ccc(/C(C)=N/O[C@@H](C)C(=O)Nc2cc(C)on2)cc1 14397935 WUNZNAUUWZSFHQ-DQAKUKQTSA-N 344.371 2.709 30 40 EFEB COc1cc(/C=N/Nc2c(F)c(F)nc(F)c2F)cc(OC)c1O 8403430 WDOOVIUQVZNXIB-PTXOJBNSSA-N 345.252 2.807 30 40 EFEB N#Cc1cc(C(=O)N2CCC[C@H](c3ccn[nH]3)C2)ccc1N1CCCC1 72285783 GPDXBJRHMMTISN-INIZCTEOSA-N 349.438 2.901 30 40 EFEB O=C1C[C@@H](c2ccco2)CC2=C1[C@@H](c1ccncc1)n1ncnc1N2 22608664 HPKWNCGHIZOGLA-YVEFUNNKSA-N 333.351 2.682 30 40 EFEB N#Cc1ccc(S(=O)(=O)Nc2ccc3n[nH]cc3c2)cc1Cl 75120582 ILXRFYRQDHNCIK-UHFFFAOYSA-N 332.772 2.889 30 40 EFEB C[C@@H](Cc1noc(-c2cc(C#N)cn2C)n1)N(C)C(=O)OC(C)(C)C 89904317 UESUDPUTBZJBPR-NSHDSACASA-N 345.403 2.745 30 40 EFEB Cc1ccc(S(=O)(=O)[C@@H]2[C@H](c3ccc(F)cc3)[C@]2(C#N)CO)cc1 218408230 NHOFTUQPJICLKX-KSZLIROESA-N 345.395 2.576 30 40 EFEB N#Cc1ccccc1N1CCCN(c2ccc3nccnc3n2)CC1 79331113 UJQQFZRSRASLSL-UHFFFAOYSA-N 330.395 2.613 30 40 EFEB N#C[C@]1(CO)[C@@H](S(=O)(=O)c2ccccc2)[C@@H]1c1ccc(Cl)cc1 218364806 MLXAEWBNVQSIAH-YESZJQIVSA-N 347.823 2.782 30 40 EFEB CCC(=O)N1CCC(C#Cc2ccnc(Nc3ncccn3)c2)CC1 72362175 RMQYKCHEGLIMSX-UHFFFAOYSA-N 335.411 2.615 30 40 EFEB Cc1ccc(S(=O)(=O)/N=C(\O)[C@@H](C)OC[C@H]2CCCO2)c(C)c1 69282757 KSUYQQSNOVLBIE-ZIAGYGMSSA-N 341.429 2.533 30 40 EFEB N#Cc1cc(S(=O)(=O)N2CCC[C@H]2c2ccccn2)ccc1F 69564377 GEODJBLLLWZLMB-INIZCTEOSA-N 331.372 2.618 30 40 EFEB Cc1cc(C2CC2)nc(NS(=O)(=O)c2ccc(C#N)cc2Cl)n1 195579785 VPQLIDOWGKJECS-UHFFFAOYSA-N 348.815 2.988 30 40 EFEB COc1cc(C#N)ccc1Cn1nc(C)c([C@H]2CCCC(=O)N2)c1C 596301275 JHGAEBYYBXXNJP-MRXNPFEDSA-N 338.411 2.770 30 40 EFEB CC(C)C[C@H](C#N)NC(=O)[C@H]1CC(=O)N([C@H](C)c2ccccc2)C1 609600062 QQUIDMFUSPJNMD-HYVNUMGLSA-N 327.428 2.651 30 40 EFEB COc1ccc(/C=N/N2CCN(c3ccccc3OC)CC2)cc1 136608 WRHFUHFYJLUBQL-HMMYKYKNSA-N 325.412 2.860 30 40 EFEB C=CCNC(=O)c1ccc(CN(c2ccccc2)S(C)(=O)=O)cc1 5515249 YRLJSIHKOUIUKF-UHFFFAOYSA-N 344.436 2.569 30 40 EFEB CCc1cccc(CC)c1NC(=O)CSc1ncc(C#N)c(N)n1 419946 MLPJMTOAXXQGHI-UHFFFAOYSA-N 341.440 2.786 30 40 EFEB CCN(C(=O)CCc1c(C)nc2c(C#N)cnn2c1C)C1CCCC1 40511031 ANVVKQFLHLTOAC-UHFFFAOYSA-N 339.443 2.942 30 40 EFEB COc1cccc2[nH]c3c(=O)n(/N=C/c4ccc(F)cc4)cnc3c12 541774 JAZGPMVLOVUNCF-ZVBGSRNCSA-N 336.326 2.908 30 40 EFEB Cc1ccc(NC(=O)[C@@H](C#N)C(=O)[C@@H](C)Oc2ccccc2C#N)cc1 103503791 JWVSSCZJPFHQRD-PBHICJAKSA-N 347.374 2.982 30 40 EFEB CN(C)c1ccc([C@H]2[C@@H](C#N)C(=O)Nc3nc4ccccc4n32)cc1 9262179 SDLAUQGTNACGLK-PBHICJAKSA-N 331.379 2.784 30 40 EFEB CN1C(=O)N[C@@H](c2cccc([N+](=O)[O-])c2)C2=C1CC(C)(C)CC2=O 2550487 BSXAPZMXPYBEAA-HNNXBMFYSA-N 329.356 2.934 30 40 EFEB N#Cc1ccc(COC(=O)Cc2ccc(N3CCCC3=O)cc2)cc1 25111561 RJFOSOLHGPIMGW-UHFFFAOYSA-N 334.375 2.971 30 40 EFEB Cc1nnc(NC[C@@H](C)N2CCc3sccc3C2)c(C#N)c1C 25500225 CCCGMDKETSIYLG-LLVKDONJSA-N 327.457 2.885 30 40 EFEB C=CCCO[C@@H](C)C(=O)N1CCCN(Cc2ccc(OC)cc2)CC1 58393776 UNJMGFVNEZBOAT-KRWDZBQOSA-N 346.471 2.711 30 40 EFEB COCC/N=C/c1cc(Br)cc(Br)c1O 6625622 DSSBRDFOBXTNOR-AWNIVKPZSA-N 337.011 2.983 30 40 EFEB C#CCN1CCC(C(=O)Nc2cc(-c3c(F)cccc3F)[nH]n2)CC1 69535385 YXELMSACBLADKE-UHFFFAOYSA-N 344.365 2.639 30 40 EFEB CC(C)c1nc2n(n1)C[C@H](NCc1cn3ccccc3c1C#N)CC2 71877614 JZLHRHUAECXQQO-OAHLLOKOSA-N 334.427 2.630 30 40 EFEB Cc1cc([C@H]2CCCN(C(=O)Cc3ccc(OCC#N)cc3)C2)n[nH]1 84110586 GRQWFGAGTMGQOE-INIZCTEOSA-N 338.411 2.569 30 40 EFEB N#C[C@H](NC(=O)[C@@H]1C[C@@H]1c1cccc(C(F)(F)F)c1)[C@@H]1CCOC1 95394870 RFEGWFFGTZUWPH-NGFQHRJXSA-N 338.329 2.854 30 40 EFEB CCN1C(=O)C(CC(=O)O)=C(C(=O)c2ccccc2C)[C@H]1SC 62716331 GWLOMJDLHPEFMG-QGZVFWFLSA-N 333.409 2.500 30 40 EFEB N#Cc1cc(C(=O)N2CCc3c(Br)ccc(F)c3C2)c[nH]1 97374323 FZTSYALZRILMAA-UHFFFAOYSA-N 348.175 2.986 30 40 EFEB C[C@@H](NC(=O)N1CC[C@@H](Oc2cccnc2)C1)c1cccc(C#N)c1 96474880 BDIHTJJQEQYFBE-RDTXWAMCSA-N 336.395 2.877 30 40 EFEB C=CCSCC(=O)NCC1CCN(Cc2ccc(OC)cc2)CC1 58209972 YXILTKYDGPEGNT-UHFFFAOYSA-N 348.512 2.943 30 40 EFEB CSc1nc2n(n1)[C@@H](c1cccc(O)c1)C1=C(C[C@H](C)CC1=O)N2 14165073 CLJFBMGSKJUARJ-VFZGTOFNSA-N 342.424 2.974 30 40 EFEB O=C1O[C@H](c2ccc([N+](=O)[O-])cc2)C(C(=O)c2ccccc2)=C1O 6909236 VBORQXYPZCRCSV-MRXNPFEDSA-N 325.276 2.888 30 40 EFEB CC(C)c1cnc(CN(C)[C@H]2CCN(C[C@@H](C#N)CCC#N)C2)o1 107355037 GEXIIFUSYHBUNN-CVEARBPZSA-N 329.448 2.748 30 40 EFEB COC(=O)c1cc(NCC(=O)N[C@@](C)(C#N)C(C)C)ccc1Cl 29942678 AHWDHJMGHCSYFS-INIZCTEOSA-N 337.807 2.593 30 40 EFEB COc1ccccc1CC(=O)N1CCCN(c2ccccc2C#N)CC1 46848690 NCYVSWVOMMWHJS-UHFFFAOYSA-N 349.434 2.848 30 40 EFEB CCCCCCCCCCCCN1CN=C(NS(C)(=O)=O)NC1 102348348 OCHARMIJPLUKTM-UHFFFAOYSA-N 346.541 2.633 30 40 EFEB CCOc1cc(/C=N/N2C(=O)CSC2=S)ccc1OC(F)F 13956816 HUPMRVWVLOAJRI-OMCISZLKSA-N 346.380 2.881 30 40 EFEB O=C1[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)N1N=Cc1cccn1-c1ccccc1F 409410154 ZOZIJJXKJNZGNK-DSIZOQBWSA-N 349.365 2.757 30 40 EFEB Cc1cc(=O)oc2cc(OCC(=O)N[C@@](C)(C#N)C(C)C)ccc12 6421344 DCHKBKMZPMPUKW-SFHVURJKSA-N 328.368 2.535 30 40 EFEB CS(=O)(=O)Oc1ccc2c(c1)O/C(=C\c1ccccc1F)C2=O 9420152 RSJHMDAXDKCPOC-NVNXTCNLSA-N 334.324 2.780 30 40 EFEB C=CCN(C)Cc1ccc(C(=O)NCc2cccnc2N(C)C)cc1 71904530 ORKTVKOWVZCTJP-UHFFFAOYSA-N 338.455 2.695 30 40 EFEB N#CCNC(=O)CN[C@@H](c1ccc2c(c1)CCC2)c1cccs1 97227360 GHHFRRAHCUJBDK-SFHVURJKSA-N 325.437 2.556 30 40 EFEB C[C@@H](Oc1ccc(-c2nnco2)cc1)C(=O)NC1(C#N)CCCCC1 7294299 RFVWDIYDIBVOHS-CYBMUJFWSA-N 340.383 2.847 30 40 EFEB N#Cc1cccc(S(=O)(=O)NCC2(c3ccccc3)CCC2)c1 32869601 RNUMORKXCIJRGO-UHFFFAOYSA-N 326.421 2.958 30 40 EFEB Cc1ccc(C(=O)N2CCN(Cc3cc(C#N)ccc3F)CC2)o1 69558181 KNIXEYZKQPIHHB-UHFFFAOYSA-N 327.359 2.557 30 40 EFEB N#Cc1ccc(NC(=O)N[C@@H]2c3ccccc3C[C@@H]2O)cc1Cl 69625850 WRPJPFCIUNPPHQ-JKSUJKDBSA-N 327.771 2.991 30 40 EFEB C#C[C@]1(O)CC[C@H]2[C@@H]3C[C@@H](O)C4=CC(=O)CC[C@@H]4[C@H]3CC[C@]21CC 77293519 LUDPEOWAWHAHEP-UGLQFRMDSA-N 328.452 2.853 30 40 EFEB in-vitro O=[N+]([O-])c1ccc(S(=O)(=O)N/N=C\C=C/c2ccccc2)cc1 17146129 BWMATZJVVOZBAS-IYSOPXGGSA-N 331.353 2.572 30 40 EFEB CCOC(=O)C(=O)C/C(C)=N/N=c1/[nH]c2ccc(Cl)cc2s1 4289166 BVXCNBFUJATBAQ-CAOOACKPSA-N 339.804 2.682 30 40 EFEB N#Cc1ccnc(O[C@@H]2CCCN(C(=O)NCc3ccccc3)C2)c1 575611705 GIXRWIMXLNCFRW-QGZVFWFLSA-N 336.395 2.706 30 40 EFEB C#CCn1/c(=N/C(=O)CSC(C)=O)sc2cc(Cl)ccc21 4231731 MIERHEDTMMXLKC-PEZBUJJGSA-N 338.841 2.696 30 40 EFEB Cc1cc(C)nc(SCC(=O)[C@@H](C#N)c2nc3ccccc3[nH]2)n1 41495080 TXHAUGOLCWPANV-GFCCVEGCSA-N 337.408 2.938 30 40 EFEB C=C(C)C#C[C@](O)(C(=O)O[C@@H]1CN2CCC1CC2)C1CCCCC1 1640755 JMTZQKLHHPNCSG-UYAOXDASSA-N 331.456 2.515 30 40 EFEB N#C[C@@H]1C(=O)N=C2NN(c3ccccc3)C(O)=C2[C@@H]1c1ccccc1 4992868 HZHYORWHHAIAJB-LSDHHAIUSA-N 330.347 2.643 30 40 EFEB C[C@@H](CCc1ccccc1)NC(=O)COC(=O)c1ccc(C#N)cc1 3216287 HRKUKOLERNCQFI-HNNXBMFYSA-N 336.391 2.853 30 40 EFEB C=CCN(C(=O)[C@H]1CC(=O)N(C2CC2)C1)c1nc2c(s1)CCCC2 57596215 LSCBXVRNKOLSDG-LBPRGKRZSA-N 345.468 2.552 30 40 EFEB Cc1nnc(N2CCC[C@@H]2c2nnc3n2CCCCC3)c(C#N)c1C 44978612 MUQRKZUDKZGADW-OAHLLOKOSA-N 337.431 2.625 30 40 EFEB N#C[C@H](NC(=O)c1ccnc(Cl)c1)c1cnn(-c2ccccc2)c1 68399063 NDQXLHZFEMOUPU-HNNXBMFYSA-N 337.770 2.915 30 40 EFEB CCN1CCN(c2oc(/C=C/c3cccc(OC)c3)nc2C#N)CC1 8226937 NJGBQVMHUCRDRF-BQYQJAHWSA-N 338.411 2.867 30 40 EFEB N#Cc1ccc(NC(=O)NCC[S@@](=O)Cc2ccccc2)cc1 69698305 KVJGVAYGXFQKOB-QHCPKHFHSA-N 327.409 2.629 30 40 EFEB C[C@H](NC(=O)COc1ccccc1C#N)c1ccc2c(c1)OCCO2 8726444 CFPCWIQQNXGYBI-ZDUSSCGKSA-N 338.363 2.586 30 40 EFEB Cc1cc(C)n(C[C@H]2CCCCN2C(=O)c2ccc(C#N)c(C)n2)n1 71865514 VTUMMCXPDOJSDE-QGZVFWFLSA-N 337.427 2.770 30 40 EFEB O=C1NC(=Nc2ccc([N+](=O)[O-])cc2)S/C1=C\c1ccncc1 408808939 FYMAFJIIZINFRT-LCYFTJDESA-N 326.337 2.881 30 40 EFEB Cn1cc([C@@H]2CCCN2C(=O)c2cc3ccccc3n2CC#N)cn1 71847562 BGFKEJSQKQMXAL-KRWDZBQOSA-N 333.395 2.876 30 40 EFEB CCCS(=O)(=O)/N=C(\O)c1cc2c(C(C)C)nn(C)c2s1 78948453 TZVGRALENBSUBF-UHFFFAOYSA-N 329.447 2.803 30 40 EFEB CC(C)N(Cc1ccc(C#N)cc1)C(=O)CN(C)[C@H]1CCSC1 89937379 DNLOHQOWSIMNNO-KRWDZBQOSA-N 331.485 2.733 30 40 EFEB N#CCSCC(=O)N1CCCc2cc(Br)ccc21 48811060 WOZDDOZIZXKSBB-UHFFFAOYSA-N 325.231 2.985 30 40 EFEB Cn1c(SCC(=O)Nc2ccccc2C#N)nnc1-c1ccco1 5864380 DIKYTSCUYAFDRH-UHFFFAOYSA-N 339.380 2.678 30 40 EFEB NS(=O)(=O)c1ccc(/N=C/C=C/c2ccc([N+](=O)[O-])cc2)cc1 101667848 DTHFOSYADMCNLM-SJGFGZQOSA-N 331.353 2.658 30 40 EFEB N#C[C@@H](C(=O)Cn1ccccc1=O)c1nc(-c2ccccc2)cs1 41534745 AGZRBDZKDDOTRF-AWEZNQCLSA-N 335.388 2.848 30 40 EFEB CN(C)C(=O)[C@H]1CN(Cc2ccc(C#N)cc2F)c2ccccc2O1 53897089 IGTLIHGLTDLJKC-GOSISDBHSA-N 339.370 2.553 30 40 EFEB C[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)C(=O)Nc1ccc(F)cc1C#N 249169858 KXRDVDFUARMCRL-BFQNTYOBSA-N 329.375 2.815 30 40 EFEB N#Cc1cccnc1NC[C@H]1CCN(c2ncnc3ccccc23)C1 65474189 XAVXYIRZKHLDPD-CQSZACIVSA-N 330.395 2.835 30 40 EFEB O=C(O)COc1ccc(/C=N/c2ccc(N3CCOCC3)cc2)cc1 408931144 HQSFWDPFJIOBNJ-DEDYPNTBSA-N 340.379 2.737 30 40 EFEB COc1ccc(CCN2CC[C@@H](CNc3ccc(C#N)cn3)C2)cc1 65531125 JOXQDEXFDXZYRC-SFHVURJKSA-N 336.439 2.938 30 40 EFEB C#CCCN1CCN(C(=O)c2csc(Cc3ccccc3)n2)CC1 68444633 YYYBATXTAKYIGS-UHFFFAOYSA-N 339.464 2.515 30 40 EFEB CC(C)(C)c1n[nH]c([C@@H]2CN(Cc3ccccc3C#N)CCO2)n1 76050018 QDNPLXCEVARJME-HNNXBMFYSA-N 325.416 2.547 30 40 EFEB CCc1ccc([C@H]2[C@H](S(=O)(=O)c3ccccc3)[C@@]2(C#N)C=O)cc1 225661109 FFZBHABZJUTCEQ-FHWLQOOXSA-N 339.416 2.898 30 40 EFEB Cc1ccnc(-c2noc(Cn3c(C)cc(C4CC4)c(C#N)c3=O)n2)c1 575603248 SDBVLXUKLXSQMU-UHFFFAOYSA-N 347.378 2.708 30 40 EFEB O=S(=O)(/N=C(\O)CCc1cncc(F)c1)c1ccc(F)cc1F 96491201 JTWRHHBNEUWFCK-UHFFFAOYSA-N 344.314 2.777 30 40 EFEB O=C(ON1C(=O)CCC1=O)c1cn(Cc2ccccc2)c2ccccc12 885764920 FMPLVWOLNAQRFX-UHFFFAOYSA-N 348.358 2.910 30 40 EFEB C=CCNC(=O)c1nc(-c2cccc(OC)c2)n(-c2ccccc2)n1 13568906 DEVMPLCIYGUSAE-UHFFFAOYSA-N 334.379 2.859 30 40 EFEB C[C@H]1COCCN1CC(=O)Nc1sc2c(c1C#N)CCCCC2 26451071 QSJBHLLEGYZVMJ-LBPRGKRZSA-N 333.457 2.548 30 40 EFEB COC(=O)c1ccc(/C=N/Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 6579516 IEGGPIDDZREPLN-CXUHLZMHSA-N 344.283 2.736 30 40 EFEB C=CCN(CC=C)C(=O)COC(=O)Cc1c(F)cccc1Cl 8343206 ZAPDSJVXNMRIDV-UHFFFAOYSA-N 325.767 2.765 30 40 EFEB COCCN([C@@H](C)C1CC1)S(=O)(=O)c1ccc(C#N)c(Cl)c1 58174131 WRCYQOSUUBXFIQ-NSHDSACASA-N 342.848 2.647 30 40 EFEB C=CCN(C(=O)c1cc2ccccc2s1)[C@@H]1CCS(=O)(=O)C1 58406159 RLYBFIGNKQDRDN-CYBMUJFWSA-N 335.450 2.717 30 40 EFEB COC(=O)[C@@H](C#N)c1nc2ccccc2nc1NCCCOC(C)C 29164433 RPQRYCDMAWTBJE-ZDUSSCGKSA-N 342.399 2.637 30 40 EFEB C[C@H]1CN(C2CCN(c3c(C#N)cnc4ccccc34)CC2)CCO1 91453826 JAVYKXFEYPKTDG-HNNXBMFYSA-N 336.439 2.796 30 40 EFEB CS(=O)(=O)Cc1ccc(CNc2c(F)cc(C#N)cc2F)cc1 69455275 IUBZKMMZOQGYNI-UHFFFAOYSA-N 336.363 2.993 30 40 EFEB CC(=O)c1ccc(C#N)c(NC[C@H]2C[C@H](O)CN2Cc2ccccc2)c1 97109493 ZRKDYNCEULVHNE-UXHICEINSA-N 349.434 2.808 30 40 EFEB CCOC(=O)Cn1nc(C)c2c1N=C(O)C[C@@H]2c1ccc(C#N)cc1 71280229 CCVKEDICCMTASP-CQSZACIVSA-N 338.367 2.750 30 40 EFEB C=CCN/C(=N\C1CCOCC1)NCCc1ccccc1OCC 72747872 QBJUMBRYQMHLCJ-UHFFFAOYSA-N 331.460 2.528 30 40 EFEB CN1CCCC[C@@H]1CCN1CCCN(Cc2ccc(C#N)cc2)CC1 75110470 CZFKXKNYKGXECZ-OAQYLSRUSA-N 340.515 2.940 30 40 EFEB CCOC(=O)C1=C(NC(=O)CC)S/C(=C\c2ccc(F)cc2)C1=O 409079685 LNQAMOHKEJBOMS-XFXZXTDPSA-N 349.383 2.783 30 40 EFEB N#C[C@H](C(=O)c1cnn(-c2ccc(F)cc2)n1)c1nc2ccccc2[nH]1 121529697 PGDKHLMVGNWWLZ-CYBMUJFWSA-N 346.325 2.773 30 40 EFEB CC[C@@H](CCO)NC(=O)Nc1ncc(Cc2cccc(C#N)c2)s1 77508453 KKISYCKJZHSJDZ-AWEZNQCLSA-N 344.440 2.888 30 40 EFEB CCN(c1ccc(CC#N)cc1)S(=O)(=O)c1ccc(OC)cc1 224860088 NTWSJYBQITVUSI-UHFFFAOYSA-N 330.409 2.976 30 40 EFEB N#Cc1ccc(NC(=O)[C@H]2CSCN2C(=O)c2cccs2)cc1 69350299 VZRWFYYPZMZVSW-CYBMUJFWSA-N 343.433 2.774 30 40 EFEB Cc1ccnc(N2CCN(c3nccc(C)c3C#N)CC(C)C2)c1C#N 577150203 DPJKRVPQECPGIW-UHFFFAOYSA-N 346.438 2.800 30 40 EFEB CC(C)N(C)Cc1cnc2n1CCN(Cc1cccc(C#N)c1)CC2 96196843 VAMZWQBFTMAPHW-UHFFFAOYSA-N 337.471 2.653 30 40 EFEB Cc1c(C#N)ccc(N2CCC[C@@H](c3nnc4n3CCC4)C2)c1F 585141994 KZJIZBDIQLVEPD-CQSZACIVSA-N 325.391 2.928 30 40 EFEB Cn1cc(S(=O)(=O)/N=C(\O)[C@@H]2C[C@@H]2c2cccc(Cl)c2)cn1 50205281 HOJKSTNXGWZVEI-CHWSQXEVSA-N 339.804 2.522 30 40 EFEB N#Cc1nccnc1O[C@H]1CC[C@H](NC(=O)c2ccsc2)CC1 252523087 BWFOGIKHQHQQHB-JOCQHMNTSA-N 328.397 2.530 30 40 EFEB CNC(=O)[C@@H](C#N)C(=O)c1sc(-c2ccc(Cl)s2)nc1C 103664578 RKGDZJRBESKOSF-ZETCQYMHSA-N 339.829 2.902 30 40 EFEB C[S@@](=O)c1ccc(C(=O)OCc2cn3ccccc3c2C#N)cc1 58055780 DLVGLRHOYFZCTK-DEOSSOPVSA-N 338.388 2.905 30 40 EFEB CCNC(=S)N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2OC)o1 58822658 OFOXPHQPYIACRH-RQZCQDPDSA-N 348.384 2.681 30 40 EFEB COc1ccc([C@@H](CNc2oc(C)nc2C#N)N(C)C)cc1OC 27992972 ROBVVCMQRUIACR-CQSZACIVSA-N 330.388 2.587 30 40 EFEB N#Cc1cccc(NC(=O)CN2CCO[C@H](c3ccc(F)cc3)C2)c1 13002685 ZCDKWBDJRANVKF-SFHVURJKSA-N 339.370 2.709 30 40 EFEB Cc1cc([C@H](C#N)C(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)nc(C)n1 49408222 DKYVZHRMSSOVQV-LBPRGKRZSA-N 335.323 2.973 30 40 EFEB COC[C@@H](C)n1cc(C(=O)c2cc(Cl)ccc2O)cc(C#N)c1=O 14138376 ISJQHQWQUXPAEX-SNVBAGLBSA-N 346.770 2.517 30 40 EFEB CSc1ncccc1C(=O)OCC(=O)[C@@H](C#N)c1nc(C)cs1 6610298 UTQGDLIOPVDOIA-LLVKDONJSA-N 347.421 2.602 30 40 EFEB C=CCOC(=O)c1nnc2c(-c3ccccc3OC)c(C)nn2c1C 9575347 HLURHNGNUWHPOC-UHFFFAOYSA-N 338.367 2.760 30 40 EFEB CSc1ccc(CN(C)C(=O)CN(C)c2ccc(C#N)cn2)cc1 71826988 ITDHUEIPJYZGMU-UHFFFAOYSA-N 340.452 2.770 30 40 EFEB Cc1nn(CCCCCn2cnc3ccccc32)c(=O)c(C#N)c1C 69325059 LDIUDEFTBWHWBZ-UHFFFAOYSA-N 335.411 2.952 30 40 EFEB CC(=O)Nc1ccc(CC(=O)[C@@H](C#N)c2nc3c(C)ccnc3[nH]2)cc1 72296122 RHJTZMXVGRCMBT-OAHLLOKOSA-N 347.378 2.644 30 40 EFEB N#Cc1ccc(SCC(=O)NC[C@@H]2CCCO2)cc1C(F)(F)F 96007254 IGNSJDYHJHAXLI-NSHDSACASA-N 344.358 2.964 30 40 EFEB CCO[C@@H]1C[C@H](O)C12CCN(c1c(C#N)cnc3ccccc13)CC2 89986549 BIVJJPLPWTYUBN-ZWKOTPCHSA-N 337.423 2.863 30 40 EFEB C[C@H](Cc1noc(-c2cc(C#N)cn2C)n1)N(C)C(=O)OC(C)(C)C 89904318 UESUDPUTBZJBPR-LLVKDONJSA-N 345.403 2.745 30 40 EFEB C=CCn1c(=N)n(C[C@@H](O)COc2cccc(C)c2)c2ccccc21 20059834 HSNDAGKXFODJQF-MRXNPFEDSA-N 337.423 2.857 30 40 EFEB Cc1cc(C)cc([C@H]2CCN(S(=O)(=O)N(C)[C@@H](C)CC#N)C2)c1 225753526 REYNIGTUFFKMMG-HOTGVXAUSA-N 335.473 2.572 30 40 EFEB COc1ccccc1-c1cc(N(C)C(=O)c2cc(C#N)cn2C)n[nH]1 81779036 RBLYXYVZRDHCID-UHFFFAOYSA-N 335.367 2.572 30 40 EFEB C[C@@H]1C[C@@H](CO)CN(c2nc3c(c(C#N)c2C#N)CCCCCC3)C1 584832587 QSOWAQFBSNEZOS-HUUCEWRRSA-N 338.455 2.939 30 40 EFEB CC(C)Oc1ccc(C#N)cc1NC1CCN(C(=O)N(C)C)CC1 97378237 HOAMKGBWEKPPOQ-UHFFFAOYSA-N 330.432 2.903 30 40 EFEB N#Cc1cccc(C(=O)NC[C@@H](c2ccco2)N2CCSCC2)c1 253394565 BGZSFNPQHVKVCF-INIZCTEOSA-N 341.436 2.671 30 40 EFEB CCO[C@@H]1C[C@@H](Nc2cc(C#N)nc(C3CC3)n2)C12CCOCC2 601144247 RHQLNBBFELYZNH-HUUCEWRRSA-N 328.416 2.612 30 40 EFEB N#Cc1cccc(S(=O)(=O)NCCSCc2ccsc2)c1 31073845 GTKMRNHIMLFJGC-UHFFFAOYSA-N 338.479 2.831 30 40 EFEB C#CCN1C(=O)[C@@](O)(CC(=O)c2ccc(C)cc2C)c2ccccc21 316518 SICQJPAATZHQMU-OAQYLSRUSA-N 333.387 2.744 30 40 EFEB COc1ccc([C@@H]2C(C(C)=O)=C(O)C(=O)N2Cc2ccco2)cc1 74556 SXWPQLQHCFDSPD-MRXNPFEDSA-N 327.336 2.773 30 40 EFEB COc1cc(/C=N/N2CCOCC2)ccc1OC(=O)c1cccs1 3253574 YTRRIWCBPALETP-LDADJPATSA-N 346.408 2.642 30 40 EFEB Cc1nc(C)c(C(=O)N2CCN([C@H](C#N)C3CCCCC3)CC2)s1 57234963 WFWCHUNEVUADKP-MRXNPFEDSA-N 346.500 2.990 30 40 EFEB COc1ccc(N/C=C2/C(=O)Oc3ccccc3C2=O)c(OC)c1 102843550 LENNIPJPVKYXPS-JLHYYAGUSA-N 325.320 2.802 30 40 EFEB CCCCCCCCOCCOCCOCCOCC(=O)OC 100933434 LUGOYPOMZUSBGH-UHFFFAOYSA-N 334.453 2.586 30 40 EFEB CN(C(=O)CN1CCC[C@@H](c2nc3ccccc3o2)C1)C(C)(C)C#N 29826565 YMNCMSUSBWYWNM-CQSZACIVSA-N 340.427 2.768 30 40 EFEB CCOC(=O)/C(Cc1ccccc1)=N\N=c1/[nH]cnc2ccccc12 12981365 RVGHAFNLZIDQDV-XLNRJJMWSA-N 334.379 2.625 30 40 EFEB O=C(CO/N=C/c1ccc2c(c1)OCO2)Nc1ccc2c(c1)CCC2 3591966 ULBNOWWZEKCRFN-KEBDBYFISA-N 338.363 2.893 30 40 EFEB C[C@H]1CO[C@H](c2ccccc2)CN1S(=O)(=O)c1cccc(C#N)c1 66934637 NQCVIFUTOQVPDB-KSSFIOAISA-N 342.420 2.709 30 40 EFEB CCN(CC)S(=O)(=O)/N=C(\O)CCc1c[nH]c2ccc(C)cc12 80287907 SNZOBGYZGDMODX-UHFFFAOYSA-N 337.445 2.952 30 40 EFEB C#CCN(Cc1ccc(F)cc1)C(=O)N[C@H]1CCN2CCCC[C@H]12 68585050 RXMWYLFXYVOXBW-ZWKOTPCHSA-N 329.419 2.597 30 40 EFEB CCn1nc(C)c(CN2CCN(c3ccc(C#N)cc3F)CC2)c1C 92596972 DLMJSZFXZGPBCC-UHFFFAOYSA-N 341.434 2.853 30 40 EFEB CC(C)(C#N)c1ccc(NC(=O)N[C@@H]2CCO[C@@]3(CCOC3)C2)cc1 95458152 PEVWHBKBHIAQLI-APWZRJJASA-N 343.427 2.947 30 40 EFEB CN(Cc1cc(Br)cn1C)C(=O)c1cccc(C#N)c1 89755041 XIRZICQCEJLNDY-UHFFFAOYSA-N 332.201 2.931 30 40 EFEB N#Cc1ccccc1COc1cccc(C(=O)N2CC[C@H](CO)C2)c1 89814017 IVRWJRRBZOOAOE-HNNXBMFYSA-N 336.391 2.592 30 40 EFEB NC(=O)COc1ccc(Cl)cc1/C=N/c1ccc([N+](=O)[O-])cc1 409219605 SBMABCRIDRBFAW-QGMBQPNBSA-N 333.731 2.863 30 40 EFEB COc1ccc(Cn2nc(OCc3ccccc3)c(C#N)c2N)cc1 225847985 DSVAHMPMICMMQA-UHFFFAOYSA-N 334.379 2.973 30 40 EFEB Cn1cc(C(=O)C[C@@H]2CCCN2c2ncc(C#N)cc2Cl)cn1 96496738 AUALFTURNYRJOE-ZDUSSCGKSA-N 329.791 2.582 30 40 EFEB N#Cc1cncc(N2CCN(Cc3ccccc3)[C@@H]3CCCC[C@H]32)n1 585140153 ITSNNMOJPMHPCI-RTBURBONSA-N 333.439 2.982 30 40 EFEB Cc1cc(C)nc(Nc2ccc(O)c(C(=O)N(C)[C@@H](C)CC#N)c2)n1 1616037534 JIXXTIODGIYAAR-ZDUSSCGKSA-N 339.399 2.917 30 40 EFEB N#Cc1c(COC(=O)C[C@@H]2C(=O)Nc3ccccc32)cn2ccccc12 104035960 KMHXFSLLUGRXTN-HNNXBMFYSA-N 345.358 2.980 30 40 EFEB C#Cc1cccc(NS(=O)(=O)c2cc(C(=O)O)ccc2Cl)c1 24346710 PNWQKJPIVZFVMJ-UHFFFAOYSA-N 335.768 2.820 30 40 EFEB C=CC/N=C1/S[C@H](CC)C(=O)N1S(=O)(=O)c1ccc(C)cc1 101193975 ZJDWCHRJZCPTOP-UWZWCOGJSA-N 338.454 2.580 30 40 EFEB COC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@@H]1c1ccccc1[N+](=O)[O-] 22611822 ZZIKIYWIJFBFPQ-MRXNPFEDSA-N 342.351 2.736 30 40 EFEB NC[C@H](O)CC(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F 100237393 PFCGKMUHBNXVEA-GSVOUGTGSA-N 343.136 2.800 30 40 EFEB N#Cc1cccc(NC(=O)N[C@@H](Cc2ccccc2)[C@@H](O)C(F)F)c1 58356349 GEVLYMZRCLLZJF-JKSUJKDBSA-N 345.349 2.917 30 40 EFEB CSc1ncccc1C(=O)O[C@@H](C)C(=O)NC1(C#N)CCCCC1 7657705 GHRMFMCCBBRLID-LBPRGKRZSA-N 347.440 2.691 30 40 EFEB CC(C)[C@@](C)(C#N)NC(=O)CN(Cc1ccco1)Cc1ccco1 7726408 XIRFTJATLREKQR-GOSISDBHSA-N 329.400 2.929 30 40 EFEB CC(C)[C@](C)(C#N)NC(=O)COC(=O)CSc1ccc(F)cc1 7780160 JYHKMHGBSMZLTD-INIZCTEOSA-N 338.404 2.515 30 40 EFEB CCc1cc(NCCNc2ncccc2C#N)nc(-c2ccncc2)n1 68691890 IFJBSLTXXXIVTG-UHFFFAOYSA-N 345.410 2.892 30 40 EFEB N#CC1(NC(=O)CSc2nc(-c3cccs3)n[nH]2)CCCCC1 5017606 JRJIOILIUVHETJ-UHFFFAOYSA-N 347.469 2.968 30 40 EFEB C[C@@H](OC[C@H]1CCCO1)/C(O)=N/S(=O)(=O)c1ccccc1Cl 69283760 KLWGVXXKMSAMNT-GHMZBOCLSA-N 347.820 2.569 30 40 EFEB C=C(Cl)CN(CC(=O)NC[C@H]1CCOC1)[C@@H]1CCc2ccccc21 69508772 NXBLPZACOSHOBN-CRAIPNDOSA-N 348.874 2.881 30 40 EFEB COc1ccc(OC)c(C2=NC(=N)S/C2=N\Nc2cccnc2)c1 7167317 CRNWNUJAKQKLMU-XCPWXIDXSA-N 341.396 2.995 30 40 EFEB C[C@@H](CC#N)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C 69741235 OAQGQFWUVAMLOE-ZFWWWQNUSA-N 331.416 2.541 30 40 EFEB CCCCCCCNS(=O)(=O)c1ccc(OC)c(C(=O)O)c1 226856996 JWDCOIRBWUNGRW-UHFFFAOYSA-N 329.418 2.642 30 40 EFEB CCCn1c(C#N)cc(N)c1N1CCN(c2ccc(F)cc2)CC1 225870655 ZOXFNQXFLMTYFZ-UHFFFAOYSA-N 327.407 2.818 30 40 EFEB N#Cc1ccc(CCC(=O)NC[C@@H]2CCCN2c2nccs2)cc1 206779716 IURYTNQIXBRFMS-INIZCTEOSA-N 340.452 2.733 30 40 EFEB Cc1ccc2[nH]c3nc(N/N=C/c4ccc(O)c(O)c4)nnc3c2c1 4595522 VXQIKUUYTMGOIC-QGMBQPNBSA-N 334.339 2.672 30 40 EFEB C=C1C(=O)O[C@@H]2C[C@@H](C)[C@@H]3C=CC(=O)[C@@]3(C)[C@@H](OC(=O)[C@H](C)CC)[C@H]12 5922052 IFEHNUQNAATZSJ-BVWWHMDVSA-N 346.423 2.843 30 40 EFEB biogenic,in-vitro Cn1cc([C@@H]2OCC[C@H]2CNc2nc3c(cc2C#N)CCCC3)cn1 591193141 SMAZYQQMMBVHHM-KBXCAEBGSA-N 337.427 2.755 30 40 EFEB COc1ccc([C@H]2NC(=O)C(O)=C2C(=O)c2cccs2)cc1OC 1443862 VXHLOJKEWUTRLY-CQSZACIVSA-N 345.376 2.631 30 40 EFEB Nc1nnnn1/N=C/c1ccccc1OCc1c(F)cccc1Cl 59639340 QLGXNEGYKUJYDP-UFWORHAWSA-N 346.753 2.509 30 40 EFEB Cc1ccccc1C(=O)CN1C(=O)N[C@@](C)(c2cccc(C#N)c2)C1=O 58293216 QSNYUZDVKPZPML-FQEVSTJZSA-N 347.374 2.517 30 40 EFEB CCOc1ccc(S(=O)(=O)/N=C(\O)[C@H]2C[C@@H]2C)cc1OCC 48493771 YKAHYZANDBHUGR-JQWIXIFHSA-N 327.402 2.785 30 40 EFEB CCN1C[C@H](C(=O)Nc2ccccc2SC[C@H](C)C#N)CC1=O 65453503 GIAFWYWWYMYWLB-CHWSQXEVSA-N 331.441 2.745 30 40 EFEB C#Cc1cccc(NC(=O)CNC(=O)Nc2ccc(C)c3cn[nH]c23)c1 72290969 FTXNIDVRLKGQPL-UHFFFAOYSA-N 347.378 2.613 30 40 EFEB CC[C@@H](CC#N)NC(=O)Nc1cccn(Cc2ccc(F)cc2)c1=O 97377734 KGYXILASQDOPSV-HNNXBMFYSA-N 342.374 2.849 30 40 EFEB CC/N=C1\S/C(=C\c2cc([N+](=O)[O-])ccc2OC)C(=O)N1CC 408857096 MYPDUXSQSSKMSF-JWFVMAOISA-N 335.385 2.916 30 40 EFEB CCCN/C(=N/CCc1cccs1)NCc1nc(C2CC2)no1 195534524 UYZKWBIUJMSKNR-UHFFFAOYSA-N 333.461 2.696 30 40 EFEB C#CCN(C)Cc1nc(C2(O)CCN(CCC(C)C)CC2)cs1 225469662 OIRONTHASUQTSC-UHFFFAOYSA-N 335.517 2.538 30 40 EFEB biogenic,in-vitro C=C(C)CNC(=O)N[C@H](C)c1ccc(N2CCN(C)CC2)c(F)c1 195571266 BXZDEVWVCCXIDH-CQSZACIVSA-N 334.439 2.514 30 40 EFEB C[S@](=O)Cc1cccc(NCC(=O)Nc2ccc(CC#N)cc2)c1 70037748 LFXXAUJDPUIXAL-XMMPIXPASA-N 341.436 2.682 30 40 EFEB C[C@@H](c1cc2ccccc2o1)N(C)C(=O)Cn1cnc(C#N)c1C#N 97379976 QTBBYUYACMLAMR-LBPRGKRZSA-N 333.351 2.592 30 40 EFEB N#Cc1cccnc1N1CCC(CNC(=O)c2cccs2)CC1 70929019 FPQCTFCMSWVPBQ-UHFFFAOYSA-N 326.425 2.661 30 40 EFEB CN1C(=O)C(=O)/C(=C(/O)c2ccccc2)[C@@H]1c1cccc([N+](=O)[O-])c1 104104997 CUJGFVKJNAVZDA-IDTYTIONSA-N 338.319 2.646 30 40 EFEB COc1ccc(/C(O)=C2\C(=O)C(=O)N(C)[C@H]2c2ccccc2F)cc1 104102496 PQSDDBYIFNGOFR-UYTDBDHRSA-N 341.338 2.886 30 40 EFEB C/C(=C\C(=O)[C@@H](C#N)C(=O)NCCCOC(C)C)c1ccc(F)cc1 103682134 YGLZEAWYEWCUEW-GWKQRERASA-N 346.402 2.869 30 40 EFEB C=C(C)CN1CCC(NC(=O)NCCc2ccc(OC)cc2)CC1 78533263 GMBCBBUWMAYOKD-UHFFFAOYSA-N 331.460 2.577 30 40 EFEB COc1cccc(C[C@@H](C)NS(=O)(=O)c2ccc(CC#N)cc2)c1 78985437 MBLUFFDDPZJGHL-CQSZACIVSA-N 344.436 2.671 30 40 EFEB CCc1noc([C@@H](C)N2CCCN(Cc3ccc(C#N)cc3)CC2)n1 44370991 KTEZXIOEUVPRSB-OAHLLOKOSA-N 339.443 2.773 30 40 EFEB C[C@@H]1C[C@H]1/C(O)=N/S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F 58421353 OFCBODRJXMPBHQ-VXNVDRBHSA-N 332.303 2.878 30 40 EFEB Cc1noc(C)c1CO/N=C(/N)c1cccnc1N1CCCCC1 58498303 IYPKEXZDDKJHTQ-UHFFFAOYSA-N 329.404 2.514 30 40 EFEB N#Cc1ccnc(N2CCN(C(=O)CCCc3cccs3)CC2)c1 12741615 CTGOETMYCXVSFV-UHFFFAOYSA-N 340.452 2.686 30 40 EFEB O=C(C[C@H]1S/C(=N/C2CCCCC2)NC1=O)Nc1ccccc1 12995495 QYDCRUSYDXSPCH-CQSZACIVSA-N 331.441 2.936 30 40 EFEB CC(=O)N1CCN(c2oc(/C=C/c3ccc(C)cc3)nc2C#N)CC1 21799558 XEXMCUBIRWAMRQ-BQYQJAHWSA-N 336.395 2.694 30 40 EFEB CC(C)[C@H](C#N)N1CCN(C(=O)/C=C/c2cccc3cccnc23)CC1 65488536 RXYPMGQSGINMKZ-SGQUHAKNSA-N 348.450 2.940 30 40 EFEB N#CCCN(C(=O)CCc1cccnc1)c1ccc2c(c1)OCCO2 79000424 HPEMCFZWPYZDBG-UHFFFAOYSA-N 337.379 2.732 30 40 EFEB CNC(=O)c1cccc(NC(=O)COc2ccc(C#N)cc2Cl)c1 7857955 LNJBBFFNDGHYHI-UHFFFAOYSA-N 343.770 2.589 30 40 EFEB CCN(CC)CC#C[C@@H](C)OC(=O)c1cnn(Cc2ccccc2)c1 84771194 NFCDSFHQEONXJP-QGZVFWFLSA-N 339.439 2.822 30 40 EFEB Cc1cccc(-c2nc(NC(=O)c3cccc(C#N)c3)n[nH]2)c1[N+](=O)[O-] 69738710 WRGICJQAVVAEEY-UHFFFAOYSA-N 348.322 2.812 30 40 EFEB N#Cc1c[nH]c(C(=O)N[C@@H]2c3ccccc3CC[C@@H]2n2ccnc2)c1 87257811 AREJTGCHQPBJON-ZWKOTPCHSA-N 331.379 2.741 30 40 EFEB N#CC1(NC(=O)CNc2c(F)cccc2N2CCCC2)CCCC1 69845011 JXDNBTNJTOWMGL-UHFFFAOYSA-N 330.407 2.790 30 40 EFEB COc1ccc(OC)c([C@H]2[C@@H]3CCCC[C@]3(O)CCN2CC#N)c1 33652720 QMJFUVFWXGMIAN-WDSOQIARSA-N 330.428 2.895 30 40 EFEB C[C@@H](Oc1ccc(/C=N\NC(=S)Nc2ccccc2)cc1)C(=O)O 33498417 GENSYRAGHSPTPK-OTWJJXBCSA-N 343.408 2.859 30 40 EFEB N#CC1(C#N)[C@H](c2cccc(F)c2)[C@@H]1S(=O)(=O)c1ccccc1 218369611 OBEVHQPPACZKQZ-CVEARBPZSA-N 326.352 2.799 30 40 EFEB CC[C@@H](c1ccncc1)N(C)S(=O)(=O)c1cccc(F)c1C#N 96428134 PCCQCUWYJZQOBU-HNNXBMFYSA-N 333.388 2.864 30 40 EFEB C[C@@]1(C(=O)OCC(=O)Nc2ccc(C#N)cc2)CC1(Cl)Cl 3502237 YRKLYYVFDPKIRG-ZDUSSCGKSA-N 327.167 2.624 30 40 EFEB N#CC1(C(=O)N2CCC3(CC2)CC(=O)N(CC2CCC2)C3)CCCC1 1565550005 MIJLBTJAOGDFPY-UHFFFAOYSA-N 343.471 2.712 30 40 EFEB N#CCCN(Cc1cccnc1)C(=O)Cc1ccc(O)cc1Cl 97236544 DLYZBFVLURSOGF-UHFFFAOYSA-N 329.787 2.926 30 40 EFEB COc1cc(Cl)c(NCC(=O)NC2(C#N)CCCC2)cc1OC 11100841 SWSLQVZJOBDEOC-UHFFFAOYSA-N 337.807 2.722 30 40 EFEB C=CCOc1ccc([C@@H]2CC(=O)Nc3nc(SC)[nH]c(=O)c32)cc1 4944405 BMSQYYPDKVHWGX-LBPRGKRZSA-N 343.408 2.531 30 40 EFEB C=CCO[C@H]1[C@H]2CC[C@H]1N(C(=O)c1cn(C)c3ccccc13)CCO2 107720814 MDMFDDHKFRMXBL-GUDVDZBRSA-N 340.423 2.753 30 40 EFEB CCc1oc(C(=O)[C@H](C#N)C(=O)NCc2ccc(OC)cc2)cc1C 102680595 CJEKNHXWDGHOLF-HNNXBMFYSA-N 340.379 2.798 30 40 EFEB CN1C(=O)C(=O)/C(=C(/O)c2ccccc2)[C@@H]1c1ccc([N+](=O)[O-])cc1 102585344 IXOPVOAXFHICOA-IDTYTIONSA-N 338.319 2.646 30 40 EFEB N#Cc1ccc(Cl)cc1NC(=O)CSc1nnc2ccccn12 2628976 PPLGBLKMMFGWOV-UHFFFAOYSA-N 343.799 2.985 30 40 EFEB CN(C)S(=O)(=O)c1cccc(C(=O)/C=C/c2cccc(C#N)c2)c1 44027755 GHGBPQVTGGPTRT-MDZDMXLPSA-N 340.404 2.705 30 40 EFEB Cc1csc(C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)n1 57876060 ZMUNRFKEOSRVQV-UHFFFAOYSA-N 347.465 2.892 30 40 EFEB COc1ccc(NC(=O)CSc2ncccc2C#N)c(OC)c1 7051697 DXAIUUSKKVAPCB-UHFFFAOYSA-N 329.381 2.701 30 40 EFEB CN(Cc1cccc(C#N)c1)C(=O)[C@H]1CCCCN1Cc1cccnc1 69894354 CDVBPZUOJHAGGZ-HXUWFJFHSA-N 348.450 2.966 30 40 EFEB N#Cc1cc(NCC2CCN(CCO)CC2)ccc1C(F)(F)F 97144811 CXQUHHIZOHGRFO-UHFFFAOYSA-N 327.350 2.693 30 40 EFEB CC(=O)Nc1cccc(CNC(=O)Nc2ccc(F)cc2C#N)c1 97472844 OVTOXWDADHHSQX-UHFFFAOYSA-N 326.331 2.977 30 40 EFEB COc1cc(OCC(=O)Nc2ccc(CC#N)cc2)ccc1[N+](=O)[O-] 66017532 RNPZRDCBTQSQJO-UHFFFAOYSA-N 341.323 2.687 30 40 EFEB N#Cc1cc(N)ccc1N1CCN(C(=O)c2cccc(Cl)c2)CC1 70462111 OMVKPCZFGKYXFU-UHFFFAOYSA-N 340.814 2.756 30 40 EFEB N#Cc1c(CN2CCN(Cc3ccccn3)CC2)cn2ccccc12 73350009 VECOYFZLWSBCCW-UHFFFAOYSA-N 331.423 2.524 30 40 EFEB Cc1[nH]c2ccccc2c1/C=N/N1C(=O)[C@H]2[C@@H]3C=C[C@@H]([C@@H]2C1=O)[C@@H]1C[C@H]31 226662394 IKZCSAPFNLJAJB-MPUMIEJISA-N 345.402 2.863 30 40 EFEB Cc1cc2c(NC(=O)[C@@H]3COc4ccccc4C3)n[nH]c2cc1C#N 1639798900 FLZLKYHHXJPXMI-AWEZNQCLSA-N 332.363 2.933 30 40 EFEB C=CCn1c(C)c(C=C2C(=O)N(C)C(=O)N(C)C2=O)c2ccccc21 5739499 GNFLLQKHBXJGNX-UHFFFAOYSA-N 337.379 2.570 30 40 EFEB C=CCN1C(=O)/C(=C\c2ccc(N3CCOCC3)o2)SC1=S 6262003 PCDHQHAURFJQAG-ZRDIBKRKSA-N 336.438 2.503 30 40 EFEB CCOC(=O)C1CCN(C(C)=C2C(=O)c3ccccc3C2=O)CC1 193813 LJBVQFICKAVNOV-UHFFFAOYSA-N 327.380 2.615 30 40 EFEB Cc1cnc(C(C)(C)NC(=O)NCCOc2ccc(C#N)cc2)s1 80154107 JQYUWVRCYCHDDV-UHFFFAOYSA-N 344.440 2.937 30 40 EFEB Cc1nc(C)c(C(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)s1 40457592 QYYATMVAKJCIIZ-UHFFFAOYSA-N 340.452 2.590 30 40 EFEB C[C@@H](Oc1ccc(/C=N/Nc2ccc([N+](=O)[O-])cc2)cc1)C(=O)O 4739396 FOCYWJGXSWIFHQ-JDAJCMJVSA-N 329.312 2.893 30 40 EFEB C[C@H]1S/C(=N/S(=O)(=O)c2ccccc2)N(c2ccccc2)C1=O 101219058 UHCCWHDHPJMXGY-QIVXWBPLSA-N 346.433 2.900 30 40 EFEB CN(C)c1ccc(C(=O)N2CCN([C@@H](C#N)c3ccccc3)CC2)cc1 178596403 GLBAZHILYPNWBC-FQEVSTJZSA-N 348.450 2.775 30 40 EFEB N#Cc1ccc(N2CCC(C(=O)N[C@@H]3CCc4ccccc43)CC2)nc1 24032306 VXZDVLDYWQDLMX-LJQANCHMSA-N 346.434 2.973 30 40 EFEB C[C@H](/C(O)=N/c1cccc(Cl)c1)N1CCN(C(=O)C2CC2)CC1 24002641 AELQJJVDZASQQZ-GFCCVEGCSA-N 335.835 2.871 30 40 EFEB COc1ccc(/C(C)=N/Nc2ccc(S(C)(=O)=O)cc2)cc1OC 47437467 ZMTIMIBIGKRFDJ-LDADJPATSA-N 348.424 2.943 30 40 EFEB CN(Cc1nccn1CC(F)(F)F)C(=O)/C=C/c1ccccc1C#N 57755092 CORRIVAWQHHMCY-VOTSOKGWSA-N 348.328 2.989 30 40 EFEB C[C@]1(c2cccc(C#N)c2)NC(=O)N(Cc2cccc(F)c2F)C1=O 58202506 KKGMFZSUPHUTBD-GOSISDBHSA-N 341.317 2.804 30 40 EFEB N#Cc1ccc(C(=O)N2CCC(C(=O)NCc3ccccc3)CC2)cc1 12784566 OBFJKOCEMDVRQC-UHFFFAOYSA-N 347.418 2.727 30 40 EFEB CC1(C)CC(=O)C2=C(C1)OC(N)=C([N+](=O)[O-])[C@H]2c1ccc(F)cc1 4770210 IQLPAPGQEZTDQL-ZDUSSCGKSA-N 332.331 2.987 30 40 EFEB CCc1ccc(Nc2nnc(SCC(=O)NCCC#N)s2)cc1 4895304 KQCIJFNNONDDCL-UHFFFAOYSA-N 347.469 2.966 30 40 EFEB CCc1ncc(CN(C)[C@H]2CCN(c3sccc3C#N)C2=O)s1 83171239 HVUAKBRERROFRZ-ZDUSSCGKSA-N 346.481 2.876 30 40 EFEB Cc1csc([C@H](C#N)C(=O)c2ccc3c(c2)NC(=O)CCN3C)n1 93242866 NJQXPAZMSOAJKY-GFCCVEGCSA-N 340.408 2.720 30 40 EFEB N#CC1(C(=O)N2CCN(c3ccc(Cl)cn3)CC2)CCCCC1 71833011 OSIVXJCVWLSPAL-UHFFFAOYSA-N 332.835 2.858 30 40 EFEB CC(=O)c1ccc(C#N)c(N2CCN(Cc3cccc(O)c3)CC2)c1 95997114 HVLYJWFWSKLJPY-UHFFFAOYSA-N 335.407 2.789 30 40 EFEB Cc1cc(NC(=O)c2cc(C#N)cn2C)c2cc([N+](=O)[O-])ccc2n1 95943181 MWELYUQKZXODQZ-UHFFFAOYSA-N 335.323 2.914 30 40 EFEB C=CCc1cc(CO)cc(OC)c1OS(=O)(=O)c1ccccc1 409120637 UZHSDTACDNGYDF-UHFFFAOYSA-N 334.393 2.684 30 40 EFEB N#C[C@H](C(=O)NCc1ccccc1)C(=O)c1coc(Br)c1 126925535 TYLLFXZIWCTGEN-LBPRGKRZSA-N 347.168 2.681 30 40 EFEB CCN1CCN(C[C@@H](C)CNc2ccc3cc(C#N)ccc3n2)CC1 195575064 APWIBCMBXOVBTF-INIZCTEOSA-N 337.471 2.792 30 40 EFEB Cc1ccc(S(=O)(=O)[C@@H]2[C@H](c3ccc(F)cc3)[C@@]2(C#N)C=O)cc1 242495709 GNCCHFLGTJKCIP-RCCFBDPRSA-N 343.379 2.783 30 40 EFEB C[C@H](OC(=O)CCOc1ccccc1)C(=O)Nc1cccc(C#N)c1 5988417 SZBJNYNXAUHCJJ-AWEZNQCLSA-N 338.363 2.898 30 40 EFEB CN(C)c1ccc(/C=C2/C(=O)c3sccc3S(=O)(=O)N2C)cc1 15085648 WQLKPHXVFLCNKX-RAXLEYEMSA-N 348.449 2.672 30 40 EFEB COc1ccc(/C(O)=C2\C(=O)C(=O)N(C)[C@@H]2c2ccccc2F)cc1 104102494 PQSDDBYIFNGOFR-IBOXJLQUSA-N 341.338 2.886 30 40 EFEB COC(=O)c1cc(C(=O)Nc2ccccc2C#N)cc([N+](=O)[O-])c1 4506277 YLUWJPRLRATHOE-UHFFFAOYSA-N 325.280 2.505 30 40 EFEB Cc1c(CCO)sc[n+]1CC(=O)O[C@H]1C[C@@H](C)CC[C@@H]1C(C)C 4750925 PXEDQFWOBVMMCP-IMJJTQAJSA-N 340.509 2.883 30 40 EFEB C#CCOc1ccc(F)cc1NC(=O)N1CCC[C@H](c2ncc[nH]2)C1 96435295 SCPQKJUIGLPIHN-ZDUSSCGKSA-N 342.374 2.972 30 40 EFEB COC(=O)COc1ccc2c(c1)O/C(=C\c1cccc(OC)c1)C2=O 490246 DRZPUDIBQGMYJX-MFOYZWKCSA-N 340.331 2.863 30 40 EFEB biogenic N#CC1(NC(=O)COc2ccc(Cl)cc2C(N)=O)CCCCCC1 32906987 OMMZLWKNOMTVOT-UHFFFAOYSA-N 349.818 2.550 30 40 EFEB CCOC(=O)C1=C(N)OC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccoc1 545934 BIYWJEQUJIRZCC-CYBMUJFWSA-N 331.368 2.770 30 40 EFEB N#Cc1ccnc(N2CCN(CCCc3nc4ccccc4o3)CC2)c1 44979415 SCDJJXIBXSHNCS-UHFFFAOYSA-N 347.422 2.849 30 40 EFEB COC(=O)c1cc(C(=O)Nc2ccc(CC#N)cc2)cc([N+](=O)[O-])c1 12980293 JAUBKGKBQVNMFA-UHFFFAOYSA-N 339.307 2.700 30 40 EFEB CC1=C/C(=N\OS(=O)(=O)c2ccc(C)cc2)[C@@H]2[C@H](C1=O)C2(C)C 4666744 IXDVQGKPDYCHGA-KKHVVHQHSA-N 333.409 2.858 30 40 EFEB Cc1cc(N/N=C/c2ccccc2Cl)nc(N2CCOCC2)n1 4860034 SMJJPIQDUURFHK-WOJGMQOQSA-N 331.807 2.721 30 40 EFEB COc1ccc(NC(=O)CN(C)Cc2ccc(C#N)cc2F)cc1 8944766 GAVRSWGTQWFKLC-UHFFFAOYSA-N 327.359 2.776 30 40 EFEB C#Cc1cccc(NC(=O)NCCNc2nccc(C(F)(F)F)n2)c1 72291989 QSGPMNDJALOOTO-UHFFFAOYSA-N 349.316 2.710 30 40 EFEB N#CCNC(=O)CN[C@H]1CCC[C@H]1c1ccccc1C(F)(F)F 97103549 PHKOBHIQZSQFCZ-JSGCOSHPSA-N 325.334 2.571 30 40 EFEB C=CCOc1ccc(C(=O)N[C@@H](CC)c2noc(C)n2)cc1OC 72309369 TWUZJJZFVXTLPO-ZDUSSCGKSA-N 331.372 2.833 30 40 EFEB CCc1ccc([C@@H]2COCCN2C(=O)NCc2cccc(C#N)c2)o1 76018064 NNWOKCFNIDWYPU-KRWDZBQOSA-N 339.395 2.997 30 40 EFEB N#Cc1cnn(-c2cccc(C(=O)N[C@@H]3CCc4ccccc43)c2)c1N 95395197 QRPJLDZCLBTOMI-GOSISDBHSA-N 343.390 2.743 30 40 EFEB N#CCN1CCC(CNC(=O)[C@@H]2C[C@@]23CCCc2ccccc23)CC1 95406958 KDNHVJJZRVFAIF-PZJWPPBQSA-N 337.467 2.632 30 40 EFEB Cc1nc(B2OC(C)(C)C(C)(C)O2)cn1COCC[Si](C)(C)C 1535639588 RTWDAGJFMGNDAD-UHFFFAOYSA-N 338.333 2.803 30 40 EFEB C=CCNC(=O)CCc1nc(-c2ccc(Br)cc2)no1 225817640 DNIXZLFQPZCXRP-UHFFFAOYSA-N 336.189 2.734 30 40 EFEB O=S(=O)(NCC#CCN1CCCCC1)c1ccc2ccccc2c1 75164798 GBPYKKKCXBGJES-UHFFFAOYSA-N 342.464 2.607 30 40 EFEB COc1ccccc1C(=O)N1CCC(Oc2ccc(C#N)cn2)CC1 90607620 BBHNEFRTWZTPRT-UHFFFAOYSA-N 337.379 2.645 30 40 EFEB COc1ccccc1[C@@H](C#N)NC(=O)[C@@H](C)N1CCc2ccccc2C1 96412384 JEUAWJXYHBJMDS-DNVCBOLYSA-N 349.434 2.823 30 40 EFEB CCN(CC)C(=O)C/C(C)=N/Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 5714936 IMQHGBQSQRGSOP-XNTDXEJSSA-N 337.336 2.549 30 40 EFEB Cc1nc2n(n1)[C@@H](c1ccc([N+](=O)[O-])cc1)C1=C(C[C@@H](C)CC1=O)N2 14608144 XKKCBXKWRJJXIO-ABKXIKBNSA-N 339.355 2.763 30 40 EFEB N#Cc1cccc(C(=O)N2CC(n3cc(-c4ccccc4)nn3)C2)c1 217670487 ITIJNOWJGRPQPX-UHFFFAOYSA-N 329.363 2.514 30 40 EFEB N#Cc1cccc(C(=O)N2CCCN(Cc3cccs3)CC2)c1 40089159 IJWMQFQDUIKGFL-UHFFFAOYSA-N 325.437 2.968 30 40 EFEB O=C(c1ccc(Br)cc1)[C@H]1O[C@]12C(=O)Nc1ccccc12 1616782 UCKFKFBLVZYYNZ-ZBFHGGJFSA-N 344.164 2.878 30 40 EFEB C=CCOC[C@H]1CCC[C@@]12CN(C(=O)c1cccc(C)n1)CCO2 107195239 FWJDMROROPAHSU-VQIMIIECSA-N 330.428 2.604 30 40 EFEB Cc1nnc(N2CCCN(Cc3cccs3)CC2)c(C#N)c1C 29619581 KQTMXQFANGGCHV-UHFFFAOYSA-N 327.457 2.739 30 40 EFEB N#C[C@H](C(=O)Cn1nnc2ccccc21)c1ccc(C(F)(F)F)cn1 41553418 PWNQLGAHQPYNBI-NSHDSACASA-N 345.284 2.722 30 40 EFEB C=CCn1cc(CN2CCCC[C@H]2c2nc(CCOC)no2)c(C)n1 55119298 UIMAKDVOYKRZCX-INIZCTEOSA-N 345.447 2.677 30 40 EFEB Cc1ccccc1OCCN1C(=O)N[C@@](C)(c2ccc(C#N)cc2)C1=O 12876142 FQIVFRWRUBIBGS-FQEVSTJZSA-N 349.390 2.713 30 40 EFEB N#CCN(Cc1ccccc1)C(=O)c1cccc(CN2CCCC2=O)c1 65607265 YLVKQNLBTSKZBU-UHFFFAOYSA-N 347.418 2.975 30 40 EFEB Cc1nnc(NCCCC(=O)N2CCc3ccccc32)c(C#N)c1C 71894583 HIDZBLIYIXMSCI-UHFFFAOYSA-N 335.411 2.747 30 40 EFEB Cc1ccc(NC(=O)C(=O)N[C@@H](C#N)c2ccc(F)cc2F)cc1 72286835 SVCZADIKIHVVJS-HNNXBMFYSA-N 329.306 2.593 30 40 EFEB N#Cc1cccc(C(=O)N(CCCN2CCOCC2)c2ccccc2)c1 95440218 OHNLHROAWMCJSK-UHFFFAOYSA-N 349.434 2.927 30 40 EFEB CC/N=C1/S/C(=C/c2ccccc2OCC(=O)OC)C(=O)N1CC 408931242 IVYHBGOPAOGXBE-HXGVTVJWSA-N 348.424 2.551 30 40 EFEB Cc1[nH]c2ccccc2c1/C=N/N1C(=O)[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@@H]34)[C@H]2C1=O 226662408 IKZCSAPFNLJAJB-BDKCFUQKSA-N 345.402 2.863 30 40 EFEB N#Cc1ccc(NCC(=O)N2CCC(c3ccc(C#N)cn3)CC2)cc1 585128126 SMLCUYBLPGODGX-UHFFFAOYSA-N 345.406 2.643 30 40 EFEB C=CCN1C(=O)S[C@@H](CC(=O)Nc2ccc(OCC)cc2)C1=O 16740562 HSUUTXOOUPZKEU-ZDUSSCGKSA-N 334.397 2.664 30 40 EFEB CN1CCN(C(=O)NCC#Cc2ccccc2)[C@@H](c2ccccc2)C1 45432612 PCBZQEUERMMTCN-HXUWFJFHSA-N 333.435 2.736 30 40 EFEB N#Cc1ccc(NC(=O)[C@@H]2CSCN2C(=O)c2ccccc2)cc1 59876000 YCALWCJLLOKZQN-INIZCTEOSA-N 337.404 2.712 30 40 EFEB COc1ccc(C[C@H](C)N(C)CC(=O)N[C@](C)(C#N)C(C)C)cc1 65608720 JIXPZCCRSLUOQH-HNAYVOBHSA-N 331.460 2.612 30 40 EFEB C=CCN1C(=O)NC(=O)/C(=C\c2ccc(OCCCC)cc2)C1=O 408601496 KGVQYMLTKGQTDI-NTCAYCPXSA-N 328.368 2.513 30 40 EFEB C[C@@H]1C(=O)N(C[C@H](C#N)CCC#N)C(=O)N1c1ccc(Cl)cc1 15238702 FTRHHENFUQXUCY-NEPJUHHUSA-N 330.775 2.941 30 40 EFEB N#Cc1cccc(CS(=O)(=O)N[C@@H]2CCCOc3ccccc32)c1 71888401 JQNVCCFKWMQTDL-QGZVFWFLSA-N 342.420 2.892 30 40 EFEB O=C1/C(=C/c2c(F)cccc2Cl)NS(=O)(=O)c2ccccc21 9421779 QBLWPXUDDVIQJC-JYRVWZFOSA-N 337.759 2.995 30 40 EFEB CC(C)N1/C(=C/c2cccnc2)C(=O)c2ccccc2S1(=O)=O 9420782 GEOSNWNTIZRROG-XNTDXEJSSA-N 328.393 2.718 30 40 EFEB N#C[C@@H](NC(=O)c1[nH]ncc1Br)c1cccc(Cl)c1 76019493 HKNKTOIGRDQVSS-SNVBAGLBSA-N 339.580 2.820 30 40 EFEB CCN(C[C@H](O)c1ccc(C)cc1)S(=O)(=O)c1ccccc1C#N 95433341 KVAUPKBMLOIYJX-KRWDZBQOSA-N 344.436 2.611 30 40 EFEB C/N=C(/O)[C@@H]1CCC[C@@H]1N/C(O)=N/Cc1nnc(C(C)(C)C)s1 328960928 KOKRAJUTKFXDMH-ZJUUUORDSA-N 339.465 2.594 30 40 EFEB CCc1ccc(CN2CCN(C(=O)c3ccc(C#N)cn3)CC2)s1 96414523 XCHRTDKVMFRNOS-UHFFFAOYSA-N 340.452 2.535 30 40 EFEB C=CC[C@@H]1N(c2cccc(Cl)c2)C(=O)[C@@H]2[C@H](C(=O)O)[C@H]3C=C[C@@]12O3 169620164 VUDFUINTGFJQPH-FQRJBHLQSA-N 345.782 2.656 30 40 EFEB N#Cc1ccc(N2C[C@@H]3CN(c4nc5cnccc5s4)C[C@H]3C2)nc1 1888904257 KXIVGKBYGCBSAD-ZIAGYGMSSA-N 348.435 2.531 30 40 EFEB N#Cc1cc(Br)cnc1N1CC(N2C[C@H]3CCC[C@@H]3C2)C1 1889070533 HNYJLGMBIJJAHU-VXGBXAGGSA-N 347.260 2.636 30 40 EFEB N#Cc1ccc(CCC(=O)N2CC[C@@H](Oc3nccs3)C2)cc1 585320172 NGVUFIXRAOGUBG-OAHLLOKOSA-N 327.409 2.627 30 40 EFEB C=C(C)C[C@H]1N(c2ccc(F)cc2)C(=O)[C@H]2[C@@H](C(=O)O)[C@H]3C=C[C@]21O3 3903717 WOALJGRKQHMPHP-RUEZSYAVSA-N 343.354 2.532 30 40 EFEB N#CC1(C#N)[C@@H](c2cccnc2)O[C@@]23CCCC[C@@H]2[C@@]1(C#N)C(=N)O3 102720644 TUNJAGRBRMZMRP-KJWYOANISA-N 333.351 2.590 30 40 EFEB CC1(C)[C@@H]2CN(C(=O)NC3CCN(c4ccc(C#N)cc4)CC3)C[C@H]21 104187432 FYCNNABXHGNQDV-QZTJIDSGSA-N 338.455 2.824 30 40 EFEB O=C(CCc1ncc(-c2ccc(F)cc2F)o1)/N=C1/NCCS1 54564426 OEEVGSLQHLKRQH-UHFFFAOYSA-N 337.351 2.771 30 40 EFEB C#CC[C@@H](NC(=O)c1cccc(CS(C)(=O)=O)c1)c1ccccc1 89484379 LIVJQFHQYUGVMQ-GOSISDBHSA-N 341.432 2.726 30 40 EFEB C[C@@H](Oc1ccc(C#N)cc1)/C(O)=N/c1nc(-c2ccccn2)n[nH]1 47343284 XXEMFJDYETXUMM-LLVKDONJSA-N 334.339 2.794 30 40 EFEB C=C(C)COC(=O)c1ccc2c(c1)S(=O)(=O)N=C1CCCCCN12 8720630 XDTTVYLMNLTLSL-UHFFFAOYSA-N 348.424 2.901 30 40 EFEB N#Cc1cccnc1N1CCCN(Cc2nc3c(s2)CCC3)CC1 97033835 DRGYOFBQZGEVPR-UHFFFAOYSA-N 339.468 2.611 30 40 EFEB CCNc1ccc(C#N)cc1NS(=O)(=O)c1ccc(CC#N)cc1 89977550 DDKVTYHMHKFYES-UHFFFAOYSA-N 340.408 2.857 30 40 EFEB Cn1c(-c2ccccc2)nnc1[C@@H](C#N)C(=O)CCc1cccnc1 95443163 RXSUIGZVAHCBDY-INIZCTEOSA-N 331.379 2.686 30 40 EFEB O=C(NCC#CCN1CCc2ccccc2C1)NCc1cccs1 75165063 XFWIVLNVJCFPQC-UHFFFAOYSA-N 339.464 2.609 30 40 EFEB N#Cc1ccc(NC(=O)N2CCC[C@@H](CO)C2)cc1C(F)(F)F 96435474 KUZUMRGTZVBKMK-SNVBAGLBSA-N 327.306 2.813 30 40 EFEB CC(C)(CC(=O)NCC#Cc1ccccc1)NC(=O)OC(C)(C)C 96416398 SLAMWCBFXSGRIC-UHFFFAOYSA-N 330.428 2.848 30 40 EFEB C#CCOc1ccc(N(C)C(=O)c2n[nH]c(CCC)c2[N+](=O)[O-])cc1 72291690 JOBWEZBPNJRIOG-UHFFFAOYSA-N 342.355 2.559 30 40 EFEB CN1CCN(C(=O)NCC#Cc2ccccc2)[C@H](c2ccccc2)C1 45432609 PCBZQEUERMMTCN-FQEVSTJZSA-N 333.435 2.736 30 40 EFEB C[C@@H](OCc1ccccc1)C(=O)NCCNc1cccc(F)c1C#N 48290860 XJEMPHYPWOSMTJ-CQSZACIVSA-N 341.386 2.831 30 40 EFEB Cc1ccccc1N1C(=O)NC(=O)[C@@H](C=Nc2ccc(F)cc2)C1=O 408528230 UOHNYWGPXFGQOH-CQSZACIVSA-N 339.326 2.736 30 40 EFEB C=CCOc1ccccc1CNC(=O)N[C@H](C(=O)O)c1ccccc1 96003070 SVSIKPNIWQSKBM-KRWDZBQOSA-N 340.379 2.877 30 40 EFEB CS(=O)(=O)c1ccc(Cl)c(C(=O)OCc2ccccc2C#N)c1 7006890 JRYQKSGRUFLGLX-UHFFFAOYSA-N 349.795 2.972 30 40 EFEB CC(=O)NC1CCN(c2c(C#N)cnc3c(C)cc(F)cc23)CC1 96429311 DAWGUHJANGLYHA-UHFFFAOYSA-N 326.375 2.659 30 40 EFEB C=CCN(Cc1cccs1)C(=O)Cc1csc(-c2nc[nH]n2)n1 68390088 LBRQSAKILNCEPB-UHFFFAOYSA-N 345.453 2.747 30 40 EFEB CC(C)c1nnc2n1C[C@@H](CNCc1cn3ccccc3c1C#N)CC2 71877620 XEYSRRMYAVMKQA-OAHLLOKOSA-N 348.454 2.878 30 40 EFEB C=CCN(Cc1cnc(C(C)(C)C)s1)[C@H]1CCS(=O)(=O)C1 92361521 GKODGMUOOOTQOS-LBPRGKRZSA-N 328.503 2.616 30 40 EFEB C=C(Br)COC(=O)[C@H]1CCCN(C(=O)C(C)(C)C)C1 95955559 LHAIDKFGMVWDPU-NSHDSACASA-N 332.238 2.723 30 40 EFEB N#C[C@@]1(N)[C@@H](S(=O)(=O)c2ccccc2)[C@@H]1c1ccc(Cl)cc1 218431032 SEXBEOZDBGOYQP-JYJNAYRXSA-N 332.812 2.501 30 40 EFEB N#C[C@H](c1c(F)cccc1Cl)N1CCC[C@@H](N2CCNC2=O)C1 195531714 ZUKZGPQEDHQONG-BXUZGUMPSA-N 336.798 2.533 30 40 EFEB CCOc1ccc(C#N)cc1NC(=O)NCc1ccccc1CO 69037816 MSOMANRCYNHPNA-UHFFFAOYSA-N 325.368 2.771 30 40 EFEB CN1CCc2c(n(Cc3ccc(C(=O)NO)cc3)c3ccccc23)C1 84596120 JVELXRPQMVXDDP-UHFFFAOYSA-N 335.407 2.797 30 40 EFEB Cc1nc(C)c(S(=O)(=O)/N=C(\O)[C@@H]2CC2(Cl)Cl)s1 83150618 YWCVWYSXOIWTAY-LURJTMIESA-N 329.230 2.599 30 40 EFEB COc1c(C)cnc(CNC(=O)NCc2ccc(C#N)cc2F)c1C 96404263 MMYAAFATIFLXIQ-UHFFFAOYSA-N 342.374 2.717 30 40 EFEB C[C@H]1C[C@H]1/C(O)=N/S(=O)(=O)Cc1ccc(Br)cc1 96442833 HTHGNAXVXAKOFD-GZMMTYOYSA-N 332.219 2.891 30 40 EFEB CC(=O)N[C@H]1[C@H](O)C[C@@H]2[C@H]3CCC4=CC(=O)CC[C@]4(C)[C@@H]3CC[C@@]21C 253504347 FOJQXPABGWZAGJ-OHFNBNKZSA-N 345.483 2.994 30 40 EFEB biogenic,in-vitro COc1cc(/C=N/OCC(=O)NCCC(C)C)ccc1OC(F)F 3330818 AGLYGADTAUMEMB-AWQFTUOYSA-N 344.358 2.809 30 40 EFEB N#Cc1ccc(N2CC[C@@H](N3CCO[C@@H](c4ccccc4)C3)C2=O)cc1 25948858 KMSWAXCXJYHTFM-WOJBJXKFSA-N 347.418 2.737 30 40 EFEB CSc1ncc(C#N)c(N2CCC[C@@H](N(C)C(=O)C(C)(C)C)C2)n1 2087128265 COZFTLKJBNTLFJ-CYBMUJFWSA-N 347.488 2.543 30 40 EFEB C=CCn1c(=O)c(C(=O)Nc2cccc(O)c2)c(O)c2ccccc21 100502075 IPYYVXJPQIWITJ-UHFFFAOYSA-N 336.347 2.851 30 40 EFEB C[C@H](N)CN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@@H]1c1ccccc1 20314901 GWZPLKZYTXNBKM-GUYCJALGSA-N 336.391 2.612 30 40 EFEB CCCCCCCCCCOC(=O)CN(C)[C@@H]1CCS(=O)(=O)C1 100747813 ZEYPIBTZOKLGKS-MRXNPFEDSA-N 347.521 2.789 30 40 EFEB Cc1cn2nc(N3CCCN(c4ccccc4C#N)CC3)sc2n1 52189462 WCLOEPDTLWXGLU-UHFFFAOYSA-N 338.440 2.688 30 40 EFEB O=S(=O)(/N=C(\O)c1cccs1)c1ccc2c(c1)OCCCO2 42338980 HXEYRMYTJVGODI-UHFFFAOYSA-N 339.394 2.603 30 40 EFEB COc1ccc([C@H]2[C@H]3CCCC[C@]3(O)CCN2CC#N)c(OC)c1 6642151 JNNJEVXFLCNFBA-NEWSRXKRSA-N 330.428 2.895 30 40 EFEB biogenic C[C@H](NC(=O)CCc1ccc(C#N)cc1)c1nnc2n1CCCCC2 29895003 NVTSRAINFHGEBO-AWEZNQCLSA-N 337.427 2.686 30 40 EFEB C=CCN(Cc1cc(=O)n2nc(C)sc2n1)Cc1cccs1 48355250 VOPQRWDDBPNDNU-UHFFFAOYSA-N 332.454 2.709 30 40 EFEB N#Cc1ccc(-c2ccc(OC(=O)CN3CSCC3=O)cc2)cc1 14905775 TVBROEUNPKULMR-UHFFFAOYSA-N 338.388 2.664 30 40 EFEB COc1ccc([C@H](C)NC(=O)CSc2ncccc2C#N)cc1 71326955 BHAITUAEONAIOF-LBPRGKRZSA-N 327.409 2.931 30 40 EFEB CCCCn1nc(C(=O)N(CCC#N)CC(CC)CC)ccc1=O 75583916 XCBCMMFJHLWNOR-UHFFFAOYSA-N 332.448 2.835 30 40 EFEB Cc1cc(C(F)(F)F)nn1CCCNC(=O)c1ccc(C#N)cc1 27932934 MFUOTSXCVMYATM-UHFFFAOYSA-N 336.317 2.902 30 40 EFEB C=CCO[C@@H](C)C(=O)NC[C@H](c1cccc(OC)c1)N1CCCC1 69347576 GLTYMSVEDQTXPL-MAUKXSAKSA-N 332.444 2.539 30 40 EFEB Cc1nc(C)n(C[C@H]2CCCCN2Cc2cc(C#N)ccc2F)n1 69597918 RDASPXYIDPETNU-QGZVFWFLSA-N 327.407 2.960 30 40 EFEB CN(C)C(=O)[C@@H]1CCCN1C(=O)Nc1ccc(C(C)(C)C#N)cc1 96433992 FWIITAXMPJTPGZ-HNNXBMFYSA-N 328.416 2.572 30 40 EFEB CCOC(=O)c1nc(N(C)C[C@@H](C)C#N)ccc1Br 585092508 BDSAALQJWMCIOD-VIFPVBQESA-N 326.194 2.617 30 40 EFEB COc1cc2c(c(OC)c1OC)CCN([C@@H]1CC[C@H](C#N)C1)CC2 590162724 NAKLOLHJFOJVJN-DZGCQCFKSA-N 330.428 2.805 30 40 EFEB CC[C@H]1CN(C(=O)c2ccccc2)CC[C@H]1CC(=O)N(C)CCC#N 5412775 MUQJBLWIJLDZIK-WMZOPIPTSA-N 341.455 2.937 30 40 EFEB biogenic,in-vitro CC[C@H]1CN(C(=O)Nc2ccccc2)CC[C@H]1CC(=O)N(C)CC#N 5415182 GKVPZBSKEJGERQ-HOTGVXAUSA-N 342.443 2.939 30 40 EFEB biogenic,in-vitro C[C@@H](Oc1ccc(F)cc1Br)/C(O)=N/c1ncn[nH]1 32648631 JZOAEATVCKFUPS-ZCFIWIBFSA-N 329.129 2.762 30 40 EFEB CCOC(=O)c1ccc(OCC(=O)NC2(C#N)CCCCC2)cc1 21105574 JAQVSFSKLSSZKA-UHFFFAOYSA-N 330.384 2.585 30 40 EFEB C#Cc1cccc(N(C)C(=O)C(=O)NCCc2cccc(Cl)c2)c1 69485900 LGJOCIZIICREJP-UHFFFAOYSA-N 340.810 2.643 30 40 EFEB CCC/C(=N\Nc1nc(=O)c(C(C)(C)C)n[nH]1)c1ccc(O)cc1 27525729 YLOUMQCXOPVTPA-CPNJWEJPSA-N 329.404 2.784 30 40 EFEB N#C[C@H](C(=O)/C=C/c1cccc2ccccc12)C(=O)NC[C@H]1CCCO1 103502363 BZJUYIBJWMJIFM-CIQXKXBYSA-N 348.402 2.857 30 40 EFEB CC[C@@H](C)/N=C(/N)NC[C@H](c1ccc(OC)cc1)N1CCCCC1 58171453 MENIUUDJORKZGL-CRAIPNDOSA-N 332.492 2.925 30 40 EFEB C=CCN1C(=O)/C(=C\c2ccc(OC)c([N+](=O)[O-])c2)SC1=S 4713639 LPHMTQBHAJNMCN-XYOKQWHBSA-N 336.394 2.991 30 40 EFEB CC(C)c1nnc2n1CCN(C(=O)c1cc3ccccc3n1CC#N)C2 69778274 OOTQKEFXRLLKLL-UHFFFAOYSA-N 348.410 2.536 30 40 EFEB Cn1nccc1CCC(=O)Nc1nc(-c2ccc(C#N)cc2)cs1 97101414 OERROKLSIHIKON-UHFFFAOYSA-N 337.408 2.987 30 40 EFEB Cn1cc([C@@H]2CN(c3ccc(C(F)(F)F)c(C#N)c3)CCO2)cn1 97145054 ZJAGEQPYLVADOO-HNNXBMFYSA-N 336.317 2.888 30 40 EFEB CC(C)CS(=O)(=O)CC(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 76091109 IGEOODPFLMRHRR-UHFFFAOYSA-N 348.346 2.586 30 40 EFEB C[S@](=O)c1cccc(NC(=O)N(CCC#N)Cc2ccccn2)c1 89493264 PCCFPOLITBCFDS-XMMPIXPASA-N 342.424 2.767 30 40 EFEB COc1ccccc1OCCN1C(=O)/C(=N\O)c2c(C)ccc(C)c21 46085238 NXJPVONOGBQGHG-JZJYNLBNSA-N 340.379 2.916 30 40 EFEB Cc1cc(/C(O)=N/S(=O)(=O)Cc2ccon2)c(C)n1C(C)C 96446467 YBOPDLRKAWPSCI-UHFFFAOYSA-N 325.390 2.508 30 40 EFEB O=C1[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)N1/N=C/c1c(O)ccc2ccccc12 253578309 YEMOVMTVDIMIAD-CGCVVEAISA-N 332.359 2.686 30 40 EFEB N#Cc1ncn(CC(=O)N2CCCC[C@H]2c2cccc(Cl)c2)n1 618286805 HDIOPZNUBSPLAN-AWEZNQCLSA-N 329.791 2.557 30 40 EFEB COc1ccc(/C=N/NC(=S)Nc2ccccc2)cc1[N+](=O)[O-] 1095116 JWKMGPUYTHEZDO-MHWRWJLKSA-N 330.369 2.924 30 40 EFEB O=C1[C@H]2[C@@H]3C=C[C@H]([C@H]2C(=O)N1/N=C/c1ccc(Cl)cc1)C31CC1 434603 GZALAPHOSCORED-MMNWFBIOSA-N 326.783 2.871 30 40 EFEB COC(=O)[C@@H](c1ccc([N+](=O)[O-])c(C#N)c1)c1ccccc1OC 169800212 AVNYOSZMFNMQQA-INIZCTEOSA-N 326.308 2.780 30 40 EFEB Cc1csc([C@@H](C)NC(=O)N2CC(Oc3ccc(C#N)cc3)C2)n1 152528658 CWLQREPCGDKICV-GFCCVEGCSA-N 342.424 2.857 30 40 EFEB N#Cc1ccc(N2C[C@H]3CN(c4ncnc5ccsc45)C[C@H]3C2)nc1 1888897230 VJCZIIWCUWVZMW-OKILXGFUSA-N 348.435 2.531 30 40 EFEB Cc1nn(C[C@@H](O)c2ccc(CC(C)C)cc2)c(=O)c(C#N)c1C 51293698 HJVPGIXDHZTTNK-GOSISDBHSA-N 325.412 2.664 30 40 EFEB Cc1nnc(NCc2ccc(OCC(F)(F)F)nc2)c(C#N)c1C 52103715 MEVULVGBYUVYGE-UHFFFAOYSA-N 337.305 2.913 30 40 EFEB COC(=O)c1ccoc1CO/N=C(\C)c1ccc(NC(C)=O)cc1 32899457 UUEGKNXOIQAULT-YBFXNURJSA-N 330.340 2.965 30 40 EFEB COC(=O)COc1ccc2c(c1)O/C(=C\c1ccccc1OC)C2=O 490939 CDZGZLUYYKJCCO-MFOYZWKCSA-N 340.331 2.863 30 40 EFEB biogenic CC1=C/C(=N\OS(=O)(=O)c2ccc(C)cc2)[C@H]2[C@H](C1=O)C2(C)C 103857288 IXDVQGKPDYCHGA-OFSFNHOHSA-N 333.409 2.858 30 40 EFEB C=CCN(C(=O)c1oc2ccccc2c1C)[C@H]1CCS(=O)(=O)C1 58277588 CVVXAEIBQMODJR-ZDUSSCGKSA-N 333.409 2.557 30 40 EFEB Cc1ccc(S(=O)(=O)/N=C(\O)[C@@H](C)OC[C@@H]2CCCO2)cc1C 69282720 PCGBRAHQZUOQMT-KGLIPLIRSA-N 341.429 2.533 30 40 EFEB Cc1nc(C2CC2)nc(SCC(=O)NCc2ccco2)c1C#N 12902805 DPFXXNMZHKVGGD-UHFFFAOYSA-N 328.397 2.536 30 40 EFEB Cc1cc(C)c(C#N)c(SCc2cc(=O)n3ccsc3n2)n1 8394835 FYCJAGNNWCZHSI-UHFFFAOYSA-N 328.422 2.932 30 40 EFEB N#Cc1cccc(/C=C2\CCn3c2nc2cc(C(=O)O)ccc2c3=O)c1 14179071 GUEAORLUJBGRNT-NTEUORMPSA-N 343.342 2.911 30 40 EFEB COc1cc(/C(C)=N/N=C(/S)NC(C)C)cc(OC)c1OC 8690639 GBMPGUYPAGBEAV-LICLKQGHSA-N 325.434 2.720 30 40 EFEB N#Cc1ccc(CN2CCN(C(=O)CCc3cccs3)CC2)cc1 17843496 FXQKIMSBLHSCJM-UHFFFAOYSA-N 339.464 2.897 30 40 EFEB Cc1ccc(-n2nnnc2Sc2ccc([N+](=O)[O-])cc2C#N)cc1 6557859 DKIDTNPXNPBOSC-UHFFFAOYSA-N 338.352 2.902 30 40 EFEB N#Cc1ccc(Oc2ccc(S(=O)(=O)N3CCCC3)cn2)cc1 7365055 JGALOWVBNBSVKJ-UHFFFAOYSA-N 329.381 2.530 30 40 EFEB Cc1nn(-c2ccccc2)c(COC(=O)c2ccc(O)cc2O)c1C#N 19010403 QKDHFJNBPTUJMI-UHFFFAOYSA-N 349.346 2.821 30 40 EFEB C=CCOC(=O)c1ccc(NC2=NS(=O)(=O)c3ccccc32)cc1 9313830 MFCRQTYMMFKQSV-UHFFFAOYSA-N 342.376 2.590 30 40 EFEB CC(C)n1ccc(CCN/C(=N/Cc2cccs2)NC2CC2)n1 78971921 CFTSJAPDJWGDGM-UHFFFAOYSA-N 331.489 2.966 30 40 EFEB N#Cc1cc(F)c(N2CCC[C@H]2C(=O)NCc2ccco2)c(F)c1 134902221 XIBNTFLVBFBNFK-HNNXBMFYSA-N 331.322 2.715 30 40 EFEB N#Cc1cc(N[C@@H]2CCCC[C@@H]2N2CCOCC2)ccc1[N+](=O)[O-] 96503208 UWPAXIVQYQPGCQ-WBVHZDCISA-N 330.388 2.522 30 40 EFEB O=C(Cc1ccccc1)NC/C=N/OC(=S)Nc1ccccc1 16478621 LWNKCJKTZHKYNK-XDHOZWIPSA-N 327.409 2.745 30 40 EFEB C=CCN(c1ccc(C(=O)Nc2ccccc2)cc1)S(C)(=O)=O 581869 ONJDIPKYIFULPZ-UHFFFAOYSA-N 330.409 2.891 30 40 EFEB C=C(Br)CNC(=O)c1cc(Cl)c2c(c1)OCCO2 68952450 RIPGBJUKQQEQNS-UHFFFAOYSA-N 332.581 2.750 30 40 EFEB CN1C(=O)[C@@H](CC(=O)Nc2ccccc2)S/C1=N/c1nccs1 100261609 XTDKHDWWQQUMSJ-AFMLGWFNSA-N 346.437 2.733 30 40 EFEB Cc1ccccc1/C(O)=N/S(=O)(=O)c1ccc2c(c1)OCCCO2 42338949 NZMNFFQCPVQGRH-UHFFFAOYSA-N 347.392 2.850 30 40 EFEB N#Cc1cccnc1NCCNC(=O)N1CCC[C@@H]1c1ccsc1 44971923 AYNAKYVEJFRJIZ-OAHLLOKOSA-N 341.440 2.973 30 40 EFEB C=CCc1cc(/C=C2/SC(NC(C)=O)=NC2=O)cc(OC)c1OC 409083604 LCZXEVZAAPUWTM-NTEUORMPSA-N 346.408 2.539 30 40 EFEB CC(=O)Nc1ccccc1O[C@H](C)C(=O)NC1(C#N)CCCCC1 3415756 RRCYHIXEMPLKCM-CYBMUJFWSA-N 329.400 2.755 30 40 EFEB COc1ccc(CN(C)CC(=O)Nc2cccc(C#N)c2)cc1F 8307847 HLDZFQTWWAIURU-UHFFFAOYSA-N 327.359 2.776 30 40 EFEB Cc1ccc(NC(=O)C(=O)NCc2ccc(C#N)cc2F)c(Cl)c1 69699626 YNMHSUHIRLFXHG-UHFFFAOYSA-N 345.761 2.914 30 40 EFEB COc1cc(C#N)ccc1OCC(=O)Nc1ccc(F)c([N+](=O)[O-])c1 6542694 VIJBFQXVJHIOMQ-UHFFFAOYSA-N 345.286 2.632 30 40 EFEB NC(=O)CCn1cc(C=C2C(=O)c3ccccc3C2=O)c2ccccc21 4748893 BZZGLHYKXRFZPU-UHFFFAOYSA-N 344.370 2.979 30 40 EFEB CC(=O)Nc1ccc(NC(=O)CSc2ncccc2C#N)cc1 7051613 PMOFOQLIYRYYEI-UHFFFAOYSA-N 326.381 2.642 30 40 EFEB CC(=O)c1ccc(N(Cc2ccccc2C#N)S(C)(=O)=O)cc1 68778463 NTTNRAKGGIMMFK-UHFFFAOYSA-N 328.393 2.727 30 40 EFEB COCCN(C)C(=O)[C@H]1CCCN(c2ccc(C#N)c(Cl)c2)C1 95394813 ATANQLRJUIOQTM-AWEZNQCLSA-N 335.835 2.533 30 40 EFEB C#CCN1C(=O)[C@@]2(CC(O)=Nc3c2cnn3C(C)(C)C)c2ccccc21 20730306 UTWVJZNNMHNXNR-FQEVSTJZSA-N 348.406 2.896 30 40 EFEB C#CCOc1c(C#N)cc(I)cc1OCC 225291186 RYAZILVORVDEPT-UHFFFAOYSA-N 327.121 2.574 30 40 EFEB COc1ccc(-c2nnc(S)n2N=Cc2cccc(O)c2)cc1 253617024 ZDPYAXBRLKWXKA-UHFFFAOYSA-N 326.381 2.830 30 40 EFEB CC(=O)[C@]1(O)CC[C@@H]2[C@H]3C[C@H](O)C4=CC(=O)CC[C@]4(C)[C@@H]3CC[C@]21C 254383273 BDQPONLPDKZVNG-FTIBSUENSA-N 346.467 2.809 30 40 EFEB N#Cc1ccc(N2C[C@H]3CCN(CCOc4ccccc4)[C@H]3C2)nc1 2086884667 GRVQVVGXUIAWOP-MJGOQNOKSA-N 334.423 2.543 30 40 EFEB CC1(C)CC(=O)C2=C(C1)Nc1c(C(N)=O)cnn1[C@H]2c1ccccc1 44917718 RFBXTUKZEAYGHZ-INIZCTEOSA-N 336.395 2.640 30 40 EFEB Cc1cc(C)n(-c2nncn2/N=C/c2cc([N+](=O)[O-])ccc2Cl)n1 92093 QABVFKQLPFDUJX-REZTVBANSA-N 345.750 2.524 30 40 EFEB N#Cc1nc(/C=C/c2ccc(F)cc2)oc1NCCN1CCOCC1 20868127 HMHIHKSKQLOTOF-ZZXKWVIFSA-N 342.374 2.600 30 40 EFEB N#C[C@@H](C(=O)Nc1ccccn1)C(=O)c1ccc(OCC2CC2)cc1 104055525 OOZDXRPPQLANQS-MRXNPFEDSA-N 335.363 2.832 30 40 EFEB N#Cc1ccc(CN2CCCN(C(=O)CCc3ccco3)CC2)cc1 23451370 NHXWKYANUMZAHR-UHFFFAOYSA-N 337.423 2.818 30 40 EFEB Cc1ccc2c(c1)C(=O)N(CCC(=O)OCc1ccccc1C#N)C2=O 25084652 MSIUBQPFFAGTHH-UHFFFAOYSA-N 348.358 2.596 30 40 EFEB Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)NCCC1=CCCCC1 12884623 GLLFMCIRWNLLDC-UHFFFAOYSA-N 327.428 2.803 30 40 EFEB Cc1nn(C/C(O)=N/S(=O)(=O)c2ccc(F)cc2)c(C)c1Cl 69869446 JCAUVQYYUYAHRY-UHFFFAOYSA-N 345.783 2.638 30 40 EFEB N#Cc1c(F)cccc1S(=O)(=O)N1CC[C@@H](Nc2ccccc2)C1 89845696 YJARQYLXNXDOPD-CQSZACIVSA-N 345.399 2.572 30 40 EFEB C#CCNC(=O)c1ccc(NCc2ccc(N3CCCC3)cc2)nc1 75610796 GKAHKJUQDOUXCP-UHFFFAOYSA-N 334.423 2.657 30 40 EFEB Cc1ccc(N(CCC#N)S(=O)(=O)c2cn(C(C)C)cn2)cc1 95435895 ADVNRVSKPYHUNF-UHFFFAOYSA-N 332.429 2.881 30 40 EFEB CC(C)Sc1ccccc1/C(O)=N/S(=O)(=O)c1cnn(C)c1 78556489 QGLWTIILLCLUCB-UHFFFAOYSA-N 339.442 2.614 30 40 EFEB N#C[C@]1(N)[C@@H](S(=O)(=O)c2ccccc2)[C@@H]1c1cccc(Cl)c1 218428100 AOZAZCCRJDQADV-HRCADAONSA-N 332.812 2.501 30 40 EFEB N#Cc1nccnc1O[C@H]1CCCN(C(=O)c2cc3ccccc3[nH]2)C1 225479230 WMABBDJVWGTBHU-AWEZNQCLSA-N 347.378 2.513 30 40 EFEB N#Cc1ccc(S(=O)(=O)NCc2ccc(Cl)cn2)c(Cl)c1 96500100 DBQCTSPJCDOHAB-UHFFFAOYSA-N 342.207 2.739 30 40 EFEB Cc1ccc2nc([C@H]3CCCN(S(=O)(=O)CCCC#N)C3)[nH]c2c1 96492646 GPRDSJSCYVMADD-AWEZNQCLSA-N 346.456 2.684 30 40 EFEB N#Cc1cnn(C(=O)c2ccc(C3SCCCS3)cc2)c1N 64447220 GDRGQNNZSFSVJM-UHFFFAOYSA-N 330.438 2.894 30 40 EFEB CC1(C)CC(=O)C2=C(C1)Nc1nonc1N[C@H]2c1ccc(O)cc1 12391389 HSWLGJIEIWMSCU-AWEZNQCLSA-N 326.356 2.997 30 40 EFEB CC(C)[C@@H](C#N)N1CCN(C(=O)C23CC4CC(CC(C4)C2)C3)CC1 28896348 FYOYCTGBWYHHAJ-ZCYBBYNQSA-N 329.488 2.895 30 40 EFEB CNC(=O)[C@@H](C#N)C(=O)c1ccc(F)c(COc2ccc(F)cc2)c1 101372537 MMJMKVMCWAGZTO-HNNXBMFYSA-N 344.317 2.612 30 40 EFEB Cc1ccc(S(=O)(=O)N/N=C2/C[C@H]3[C@@H]4C[C@@H]5[C@H]3CC[C@H]5[C@@H]24)cc1 104061178 AOWJDZNASUGJOG-GNVFDRPZSA-N 330.453 2.941 30 40 EFEB Cc1ccc(NC(=O)[C@@H](C#N)C(=O)[C@H](C)Oc2ccccc2C#N)cc1 103503796 JWVSSCZJPFHQRD-YOEHRIQHSA-N 347.374 2.982 30 40 EFEB Cc1nn(C)c(C)c1[C@H]1CCCN1C(=O)c1ccccc1OCC#N 105850012 AFGGSQIJHQRMRR-MRXNPFEDSA-N 338.411 2.917 30 40 EFEB CC[C@H](C)N(CCOC)S(=O)(=O)c1ccc(C#N)c(Cl)c1 58175371 ROVWKGUSAIQZNL-NSHDSACASA-N 330.837 2.647 30 40 EFEB Cc1cc(NC(=O)/C=C/c2cnn(-c3ccccc3)c2)n(CCC#N)n1 58226781 MKKDUCYAVGBLNK-CMDGGOBGSA-N 346.394 2.943 30 40 EFEB Cc1oc(-n2cccc2)c(C#N)c1C(=O)NC[C@H](C)Cn1cccn1 58224926 YVQSMEBMUIKIGG-ZDUSSCGKSA-N 337.383 2.513 30 40 EFEB Cc1ccc([C@@H]2C[C@@H]2C(=O)NCCNc2ncccc2C#N)s1 69366836 AHMQHSPRRWGQFL-KGLIPLIRSA-N 326.425 2.655 30 40 EFEB CC(C)N(Cc1nc2ccccc2c(=O)[nH]1)C(=O)c1cccc(C#N)c1 6657448 RRTDOBPAUZAUBO-UHFFFAOYSA-N 346.390 2.846 30 40 EFEB C[C@H](Oc1cccc(C#N)c1)C(=O)N1CCCC[C@@H]1Cn1cccn1 75129558 ASVILJHTSHTOTI-DOTOQJQBSA-N 338.411 2.603 30 40 EFEB CCOc1cc(/C=N/c2ccc([N+](=O)[O-])cc2)ccc1OCC(N)=O 409224930 NXNUVQNTAARRTA-VXLYETTFSA-N 343.339 2.608 30 40 EFEB CCOC(=O)c1sc([C@@H](C)NC(=O)C#Cc2ccccc2)nc1C 89984804 OQQZXHKMGAXMKX-CYBMUJFWSA-N 342.420 2.857 30 40 EFEB N#Cc1ccc(OC[C@H](O)Cn2ccc(-c3ccsc3)n2)cc1 95438821 DKJVOGGMRYKUAI-OAHLLOKOSA-N 325.393 2.923 30 40 EFEB C#CCN1CCC(C(=O)Nc2ccc(F)cc2OCC2CC2)CC1 76920029 GPUWWHYIOIFCRE-UHFFFAOYSA-N 330.403 2.898 30 40 EFEB N#C[C@H]1CCCN(c2nc(-c3ccccc3)nc3c2CCNCC3)C1 72454469 YXAJILJSXIWYOL-OAHLLOKOSA-N 333.439 2.572 30 40 EFEB COc1ccccc1[C@@H](C#N)NC(=O)[C@H](C)N1CCc2ccccc2C1 96412383 JEUAWJXYHBJMDS-HNAYVOBHSA-N 349.434 2.823 30 40 EFEB CN(c1cccc(/N=C/c2ccc([N+](=O)[O-])cc2)c1)S(C)(=O)=O 19855707 NSIJMWPFRNUDCQ-LFIBNONCSA-N 333.369 2.741 30 40 EFEB COC(=O)c1ccc(NC(=O)Cn2cc(C#N)c3ccccc32)cc1 51319123 RMROTNRUXRFIOW-UHFFFAOYSA-N 333.347 2.938 30 40 EFEB N#Cc1c(NC(=O)[C@@H]2Cc3ccccc3C(=O)O2)sc2c1CCC2 32674703 MQUGAXBUSYMMCL-AWEZNQCLSA-N 338.388 2.829 30 40 EFEB Cc1cc(C(=O)NC2(C#N)CC2)c2cnn(Cc3cccs3)c2n1 96414459 IPBBDLGOHPFSCM-UHFFFAOYSA-N 337.408 2.636 30 40 EFEB Cn1cc(Nc2cccc(C(=O)Nc3cc(C#N)ccc3O)c2)cn1 89756559 HFXUNFUFQOBXAT-UHFFFAOYSA-N 333.351 2.993 30 40 EFEB C#CCN(Cc1nnnn1-c1ccccc1)[C@H]1CCc2ccccc21 47405937 JCOFVXCZMNDUMK-IBGZPJMESA-N 329.407 2.785 30 40 EFEB COc1ccccc1OCCCN1C(=O)/C(=N\O)c2cc(C)ccc21 104107971 LNCYRANSEKZVOI-ZZEZOPTASA-N 340.379 2.998 30 40 EFEB COCCNC(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1 48125303 WZCDVRBEPHARDD-UHFFFAOYSA-N 338.367 2.578 30 40 EFEB C=CCCC(=O)N1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1 65606354 WOKQOHXDOJJOAR-UHFFFAOYSA-N 340.345 2.956 30 40 EFEB C[C@@H](OC(=O)[C@@H]1CCCN(C(=O)C2CC2)C1)c1cccc(C#N)c1 75584547 DNBHXYTZCZCMQB-CXAGYDPISA-N 326.396 2.811 30 40 EFEB C#CCOc1cc(F)ccc1NC(=O)[C@H]1CCCN(C(=O)OCC)C1 72295526 ZBBYIKPRXXBSEU-ZDUSSCGKSA-N 348.374 2.645 30 40 EFEB CN(C(=O)CNC(=O)c1ccc(-c2ccccc2)cc1)C1(C#N)CCC1 97096126 ZFKGZHDIGUAWDR-UHFFFAOYSA-N 347.418 2.988 30 40 EFEB N#C[C@H](NC(=O)[C@@H]1C[C@H]1c1cccc(C(F)(F)F)c1)[C@@H]1CCOC1 95394869 RFEGWFFGTZUWPH-BEAPCOKYSA-N 338.329 2.854 30 40 EFEB CC(C)(C)[C@H](C#N)NC(=O)[C@@H]1COc2ccc(Br)cc21 95443248 DGVGHMBNNQZJQW-YPMHNXCESA-N 337.217 2.980 30 40 EFEB Cc1nc2c(-c3cccc(Br)c3)cnn2c(N)c1C#N 408947717 DACRMIKVQXXBFI-UHFFFAOYSA-N 328.173 2.921 30 40 EFEB C=CCOC[C@@H]1CCC[C@]12CN(C(=O)c1cccc(C#N)c1)CCO2 97954340 DISRMIVXYVFSPY-ICSRJNTNSA-N 340.423 2.772 30 40 EFEB C#CCN1CCC(C(=O)N2CCC[C@H]2Cc2ccc(OC)cc2)CC1 57176881 CSOVNWCDXXVAIE-IBGZPJMESA-N 340.467 2.574 30 40 EFEB N#Cc1cnc(N2CC(N3CCc4sccc4C3)C2)c(Cl)c1 1776001515 XMSJUBGHNCJMMH-UHFFFAOYSA-N 330.844 2.915 30 40 EFEB CCOc1cc(C#N)ccc1OC(=O)COc1ccccc1[N+](=O)[O-] 7687351 PJPGEXSQKWOOHE-UHFFFAOYSA-N 342.307 2.850 30 40 EFEB COCc1ccccc1/C(O)=N/S(=O)(=O)c1cccc(OC)c1 58187772 QXJPEYOYHQMLIK-UHFFFAOYSA-N 335.381 2.535 30 40 EFEB CC(C)(C)SCC(=O)Nc1ccc(N2CCC(O)CC2)c(C#N)c1 75180658 YMIAHSYOHACBNV-UHFFFAOYSA-N 347.484 2.990 30 40 EFEB C[C@H](NC(=O)COc1ccc2c(c1)CCC(=O)N2)c1ccc(C#N)cc1 26126826 YORWYIKITGUQIF-ZDUSSCGKSA-N 349.390 2.699 30 40 EFEB C=CCN(CC=C)C(=O)CSc1nc(O)c2cc(F)ccc2n1 58280727 FLALGIGKQMJSMF-UHFFFAOYSA-N 333.388 2.767 30 40 EFEB N#Cc1cccnc1NCCNC(=O)C1(c2cccc(F)c2)CCC1 58275346 JUQPHMABFDGYFY-UHFFFAOYSA-N 338.386 2.742 30 40 EFEB CC[C@H]1c2c(c3ccccc3oc2=O)Oc2nc(C)n(CC#N)c(=O)c21 5715554 FBZUBTZYSGVRDA-NSHDSACASA-N 349.346 2.829 30 40 EFEB Cc1nc(C)n(C[C@@H]2CCCN(Cc3ccc(F)cc3C#N)C2)n1 69969346 APRSPCWMEPXYBF-OAHLLOKOSA-N 327.407 2.818 30 40 EFEB Cc1c(C#N)c(SCC(=O)NCc2ccco2)nc2c1CCC2 9751976 DBTKEXUYNYJFLV-UHFFFAOYSA-N 327.409 2.752 30 40 EFEB C(=N/Nc1nc(N2CCCC2)nc(N2CCCC2)n1)\c1cccs1 408726901 VVLKPKDVFJZOEF-SFQUDFHCSA-N 343.460 2.580 30 40 EFEB Cc1cc(C(F)(F)F)c(C#N)c(S[C@H](C)c2nnnn2C)n1 188833918 AQHUYIYGYMGHQC-SSDOTTSWSA-N 328.323 2.657 30 40 EFEB C=CCN1CCC(NC(=O)Cc2ccc(Br)cc2)CC1 96182346 WMKCFBHOBCWJHA-UHFFFAOYSA-N 337.261 2.758 30 40 EFEB Cc1cc(Br)c(N2CCC[C@@H](CC(N)=O)C2)c(C#N)c1 585133084 RXVFIWJEZSQRDH-NSHDSACASA-N 336.233 2.721 30 40 EFEB N#Cc1cccc(N[C@@H]2CO[C@]3(CCN(C(=O)C4(F)CCC4)C3)C2)c1 1565547100 NKLBSXOFKSNJRU-FUHWJXTLSA-N 343.402 2.622 30 40 EFEB CCN(CC)CCn1cc(NC(=O)Nc2ccc(C#N)cc2)cn1 40555346 FPBYFFFMMJLTIU-UHFFFAOYSA-N 326.404 2.741 30 40 EFEB N#Cc1cccc(OCCN2CCNC(=O)C[C@H]2c2ccccc2)c1 52836939 LHBQLRGMNBTXPZ-IBGZPJMESA-N 335.407 2.500 30 40 EFEB C=C(C)CNC(=S)Nc1ccc([C@]2(CC)CCC(=O)NC2=O)cc1 53526584 QLFOPGULKKXLCF-SFHVURJKSA-N 345.468 2.634 30 40 EFEB Cc1ccccc1Nc1nc(N)nc(COc2ccc(C#N)cc2)n1 3344889 VYBLIKHZUIWVHX-UHFFFAOYSA-N 332.367 2.957 30 40 EFEB N#CC1(NC(=O)CSc2nc(-c3ccccc3)n[nH]2)CCCCC1 5210035 LERAWCSLEVAMLT-UHFFFAOYSA-N 341.440 2.906 30 40 EFEB Cc1cc(C)cc(N(CCC#N)C(=O)CSc2nnc(N)s2)c1 5636468 NJGXFHNSVFAQGI-UHFFFAOYSA-N 347.469 2.776 30 40 EFEB O=[N+]([O-])c1ccc(N/N=C/c2ccc(N3CCOCC3)cc2)cc1 4863714 QVSDOJJQSXONRG-QGOAFFKASA-N 326.356 2.877 30 40 EFEB CCN(Cc1ccoc1)C(=O)NCCNc1cccc(F)c1C#N 69780196 KSNGRSLNDKGJDZ-UHFFFAOYSA-N 330.363 2.934 30 40 EFEB CN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@@H]1c1ccccc1[N+](=O)[O-] 8968612 CHUHBTGCICKCJL-HNNXBMFYSA-N 338.319 2.803 30 40 EFEB COc1ccc(C(=O)N2CCN(c3ccc(C#N)cc3F)CC2)cc1 72046979 IJTNDNGWXJSCRK-UHFFFAOYSA-N 339.370 2.668 30 40 EFEB N#Cc1cc(NC[C@@H]2CCCN(c3ncccn3)C2)ccc1[N+](=O)[O-] 97145438 XQQMIMALLPZGTO-ZDUSSCGKSA-N 338.371 2.585 30 40 EFEB Cc1cccc2c(N3CCCN(c4ncccc4C#N)CC3)ncnc12 95426120 JCKTZVUNJKEEKB-UHFFFAOYSA-N 344.422 2.922 30 40 EFEB C=CCN1CCN[C@@H](Cc2cccc(-c3ccc(OC)cc3)c2)C1=O 72352844 FHGSPWVHWOQDJX-FQEVSTJZSA-N 336.435 2.891 30 40 EFEB N#Cc1cccnc1-n1c(N2CCC[C@@H](CO)C2)nc2ccccc21 44029888 YWPNLDWNJSXZJM-CQSZACIVSA-N 333.395 2.501 30 40 EFEB C=CCN(CCc1ccccc1)C(=O)/N=c1/ccnc2n(C)[nH]cc1-2 585079630 SLBXDROOGAKLFV-XLNRJJMWSA-N 335.411 2.604 30 40 EFEB CCSc1nc(N2CCOCC2)c2c(c1C#N)CC(C)(C)OC2 19418256 YIDCGOFVYGKAEP-UHFFFAOYSA-N 333.457 2.753 30 40 EFEB COC(CN1C(=O)C(O)=C(C(C)=O)[C@@H]1c1ccc(C(C)C)cc1)OC 813453 RPQYVOUTXDOBMR-KRWDZBQOSA-N 347.411 2.713 30 40 EFEB N#Cc1ccc(NC(=O)CSc2ncn(-c3ccccc3)n2)cc1 2124144 ZSCAQIWEIPHNNR-UHFFFAOYSA-N 335.392 2.870 30 40 EFEB O=C1C[C@@H](c2ccco2)CC2=C1[C@@H](c1ccccn1)n1ncnc1N2 22608652 CABOPSFYMHKHQG-APPDUMDISA-N 333.351 2.682 30 40 EFEB C=CCN(C(=O)/C=C/c1cnn(C)c1)c1nc2c(s1)CCCC2 23263580 JJQLZAZZIZXGDD-CMDGGOBGSA-N 328.441 2.988 30 40 EFEB C=CCN(CC=C)C(=O)Cn1c(-c2cccc(OC)c2)csc1=O 69419895 WACGUKWNZOWWAX-UHFFFAOYSA-N 344.436 2.786 30 40 EFEB C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C 118926176 IMVRRRQPUUOMNB-UJPCIWJBSA-N 326.436 2.629 30 40 EFEB N#Cc1cccc(NC(=O)c2cccc(NC(=O)Cn3cccn3)c2)c1 58177748 UAFSAOAKIAHHCD-UHFFFAOYSA-N 345.362 2.646 30 40 EFEB C=CC/N=C(\NCc1ccccn1)NC[C@H](c1ccsc1)N(C)C 95948122 VCPGDINJTRPULY-QGZVFWFLSA-N 343.500 2.667 30 40 EFEB Cc1ccc(S(=O)(=O)[C@H]2[C@@H](c3cccc(F)c3)[C@@]2(C#N)C=O)cc1 225663910 RNWORIGFUVXEMI-FGTMMUONSA-N 343.379 2.783 30 40 EFEB C#C[C@](C)(CC)NC(=O)[C@H]1CCCC[C@H]1C(=O)OCC(F)(F)F 248230601 AHVXFPCEJRLQSW-YWPYICTPSA-N 333.350 2.816 30 40 EFEB C#CCCC1(CCC(=O)NCc2nc3cc(OC)ccc3n2C)N=N1 1615000558 QKHLUUXHIXSYSN-UHFFFAOYSA-N 339.399 2.554 30 40 EFEB N#CCOc1ccc(NC(=O)Cc2ccc(N3CCCC3=O)cc2)cc1 14940932 OHMQGYKAYBBEIF-UHFFFAOYSA-N 349.390 2.897 30 40 EFEB O=C(O)COC(F)(F)[C@@H](F)OC(F)(F)C(F)(F)C(F)(F)F 1772820759 PMLRCZDTMRVYDU-VKHMYHEASA-N 342.085 2.783 30 40 EFEB Cc1ccc(CNC(=O)C2CCN(c3ccc(C#N)cn3)CC2)s1 40553536 AOCVJARYRASUTQ-UHFFFAOYSA-N 340.452 2.856 30 40 EFEB N#CC1(C#N)[C@H]2CCCC[C@]23OC(=N)[C@@]1(C#N)[C@H](c1ccccn1)O3 4819917 NOXTVQOPVZZGHA-NONVJHHQSA-N 333.351 2.590 30 40 EFEB COc1ccc(/C=N/n2cnc3c([nH]c4ccccc43)c2=O)c(OC)c1 499301 USQXSRZIRVRLGA-UFFVCSGVSA-N 348.362 2.777 30 40 EFEB O=C(NCC#Cc1ccccc1)NCCCN1CCc2ccccc2C1 46893375 CJVZHRNKKFAHEQ-UHFFFAOYSA-N 347.462 2.786 30 40 EFEB Cc1ccc(CC(=O)N2CCCN(c3ncccc3C#N)CC2)s1 57048788 ZTBMENBJRWPECK-UHFFFAOYSA-N 340.452 2.605 30 40 EFEB Cn1ccnc1[C@H](NC(=O)COc1ccccc1C#N)c1ccccc1 12531141 CZNBNIZPVKLXEE-LJQANCHMSA-N 346.390 2.576 30 40 EFEB N#Cc1nc(C2CC2)oc1N1CCN(c2nc3ccccc3o2)CC1 44975490 ZSGYGHGMQIAOJA-UHFFFAOYSA-N 335.367 2.891 30 40 EFEB C=CCn1c(SCC(=O)N[C@H](C)CCC)nnc1-c1ccncc1 6907683 NVZVZPNMPXEKOE-CYBMUJFWSA-N 345.472 2.923 30 40 EFEB COCC[C@H](C)/C(O)=N/S(=O)(=O)c1ccc(F)c2ncccc12 80286414 UYXGMTGRFAOPHN-JTQLQIEISA-N 340.376 2.692 30 40 EFEB C#CCOc1cccc(NC(=O)N(C)[C@@H]2[C@H]3CCO[C@@H]3C2(C)C)c1 96420204 SIJQIFPUGZZPPK-ZACQAIPSSA-N 328.412 2.976 30 40 EFEB N#Cc1ccc(NC(=O)C(=O)N2CC[C@@H](c3cccc(F)c3)C2)cc1 71859264 HTHBEXQCQHXJFP-OAHLLOKOSA-N 337.354 2.652 30 40 EFEB C[C@H]1CN(c2ccc(Nc3ncc([N+](=O)[O-])cc3C#N)cc2)CCO1 76689027 ZTXZHZNWVGKMQM-LBPRGKRZSA-N 339.355 2.830 30 40 EFEB N#CCCN(C(=O)[C@@H]1C[C@@H]1c1cccnc1)c1ccc2c(c1)OCCO2 79000395 XUKHIMQOYRKYAT-IAGOWNOFSA-N 349.390 2.903 30 40 EFEB Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)/N=C(\O)[C@H](C)OCC(C)C 58245215 YFWXLUXPSLSIPJ-NSHDSACASA-N 344.389 2.610 30 40 EFEB C/N=C(/NCc1csc(C(F)(F)F)c1)N(C)C[C@H]1CCOC1 1614974072 HLFRJFKZYBZQNC-SNVBAGLBSA-N 335.395 2.811 30 40 EFEB CC(=O)Nc1ccc(C#CC2(NC(=O)C3CC3)CCCCC2)cn1 12219569 IALWOYKHEUHLQY-UHFFFAOYSA-N 325.412 2.621 30 40 EFEB COc1ccc(C(=O)C2=C(O)C(=O)N[C@@H]2c2cccc(F)c2)cc1 17159683 KJJQCNQLACQMEI-OAHLLOKOSA-N 327.311 2.700 30 40 EFEB COc1ccc(OC)c2c1CN(Cc1cc(C#N)ccc1F)C[C@H]2O 30588821 KHTLXZGDTMTXDX-MRXNPFEDSA-N 342.370 2.764 30 40 EFEB CC(C)(C)OC(=O)N1CCC[C@@]1(Cc1ccccc1C#N)C(=O)O 4241145 UVLXIDYUXFSJSJ-GOSISDBHSA-N 330.384 2.955 30 40 EFEB N#Cc1ccc(OC2CCC(NC(=O)[C@@H]3C[C@H]4C=C[C@H]3C4)CC2)nc1 101911522 GVTRQGBPIFXDEC-OPPNBMJSSA-N 337.423 2.972 30 40 EFEB N#Cc1cc(NC(=O)COCC2CC2)ccc1OCC(F)(F)F 32931172 NSPJQBSXWOXFJC-UHFFFAOYSA-N 328.290 2.864 30 40 EFEB O=S(=O)(O)CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F 100045861 TXGIGTRUEITPSC-UHFFFAOYSA-N 328.152 2.733 30 40 EFEB C#Cc1cccc(NS(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2C)c1 22408446 RTRKAXYPNIGLAW-UHFFFAOYSA-N 330.365 2.994 30 40 EFEB COc1ccc(F)cc1CN(c1cccc(C#N)c1)S(C)(=O)=O 23617544 CSAAVSQUIATCMN-UHFFFAOYSA-N 334.372 2.672 30 40 EFEB C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CNCC(OC)OC)[C@H]3C[C@@H]12 4028558 QLQWTPOKMDDMPR-RUEZSYAVSA-N 337.460 2.509 30 40 EFEB biogenic COc1ccccc1CC(=O)Nc1ncccc1OCCCC#N 69559242 IHHQZAMFFLUJHI-UHFFFAOYSA-N 325.368 2.954 30 40 EFEB N#Cc1ccc(NC[C@@H](c2cccc(F)c2)N2CCOCC2)nc1 71833171 DCPXIUFSUSTBBA-KRWDZBQOSA-N 326.375 2.578 30 40 EFEB Cc1ccc(N2C(=O)NC(=O)[C@H](C=Nc3ccc(F)cc3)C2=O)cc1 408526954 IHKFUECFHFDAHX-HNNXBMFYSA-N 339.326 2.736 30 40 EFEB Cc1nscc1/C(O)=N/S(=O)(=O)Cc1ccc(F)cc1F 97138862 JWLARGIQKSTRCJ-UHFFFAOYSA-N 332.353 2.564 30 40 EFEB C[C@H](Nc1ccc(OCc2cccnc2)cc1)C(=O)N(C)CCC#N 79030598 IQBAVXUSCRBSIZ-HNNXBMFYSA-N 338.411 2.833 30 40 EFEB Cc1ccn(CC(=O)N[C@@H](c2cccs2)C(C)(C)C)c(=O)c1C#N 122020020 MYPQRRQDQMEGKZ-INIZCTEOSA-N 343.452 2.994 30 40 EFEB CCOC1(OCC)N=C(N)[C@]2(C#N)[C@@H](c3ccccc3Cl)[C@]12C#N 222428999 CVHHGBAXYMRGOY-KBMXLJTQSA-N 344.802 2.555 30 40 EFEB CC[C@H](C)n1[nH]c(=N/C(O)=N/[C@@H]2c3ccccc3C[C@@H]2O)cc1C 329219506 SOEPOHWRQBVHPA-XNJJOIOASA-N 328.416 2.569 30 40 EFEB C[C@@H](CC#N)N(C)S(=O)(=O)c1ccc(Br)c(F)c1 96427918 FHFHRSRSVKHCAS-QMMMGPOBSA-N 335.198 2.511 30 40 EFEB CCN(CCNS(=O)(=O)c1ccc(C#N)cc1)c1ccccc1C 58562741 RJCVESNICNMKIN-UHFFFAOYSA-N 343.452 2.672 30 40 EFEB C=C(C)CNC(=S)Nc1ccnn1Cc1ccc(OC)c(OC)c1 10181987 ULILCLDNBBECKD-UHFFFAOYSA-N 346.456 2.811 30 40 EFEB CC/N=C1/S[C@H](C(=O)Nc2cccc(OCC)c2)CC(=O)N1CC 100248839 ZQDSEQYBRDFNPG-YWMAMYRUSA-N 349.456 2.754 30 40 EFEB C=C(C)C[C@@H]1N(c2ccc(C)cc2)C(=O)[C@H]2[C@@H](C(=O)O)[C@H]3C=C[C@]21O3 4237647 LCWYHMXNOPUHCS-YNIGFRRXSA-N 339.391 2.701 30 40 EFEB N#Cc1cccc(CNC(=O)[C@H]2CCCN2C(=O)Nc2ccccc2)c1 69812187 ZFVOUCSELYFBBK-GOSISDBHSA-N 348.406 2.871 30 40 EFEB N#Cc1ccc(NCC(=O)N(Cc2ccco2)C[C@H]2CCCO2)cc1 95416163 OWIBZEYBECPWFJ-GOSISDBHSA-N 339.395 2.771 30 40 EFEB CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C 4212832 KQZSMOGWYFPKCH-UJPCIWJBSA-N 344.451 2.585 30 40 EFEB biogenic,in-man O/C(COC[C@@H]1CCCO1)=N\c1nc(-c2ccc(Cl)cc2)n[nH]1 95349719 GOGGJKBCHBNYAI-LBPRGKRZSA-N 336.779 2.909 30 40 EFEB N#Cc1cccc(C2(NCC(=O)N3CCC(c4ccccc4)=N3)CC2)c1 560173184 DJJAGONYDRVVCX-UHFFFAOYSA-N 344.418 2.774 30 40 EFEB Cc1ccc(-c2nnc(NC(=O)COc3ccc(C#N)cc3)[nH]2)cc1 8117088 DEVNXMOTDQODGO-UHFFFAOYSA-N 333.351 2.669 30 40 EFEB Cn1cc(Br)cc1C(=O)NCc1ccc(OCC#N)cc1 79959081 BKDYMZCGJMUQRY-UHFFFAOYSA-N 348.200 2.620 30 40 EFEB CCn1c(SCC(=O)Nc2sccc2C#N)nnc1C1CC1 7618316 GESGPSNFRCXSOG-UHFFFAOYSA-N 333.442 2.839 30 40 EFEB CCCCCC[C@@H](C)NC(=O)COCC(=O)Nc1ccc(C#N)cc1 9805674 CXRQPMHIUIAPFJ-OAHLLOKOSA-N 345.443 2.988 30 40 EFEB COc1cc(C=C2C(=O)CC(C)(C)CC2=O)ccc1OCC(=O)O 408994734 ZXLCMZXXPBACMZ-UHFFFAOYSA-N 332.352 2.500 30 40 EFEB COc1cc([N+](=O)[O-])c(Cl)cc1-c1ccc(/C=N/n2cnnc2)o1 408974231 XTQCSRHMJQSRKW-NGYBGAFCSA-N 347.718 2.991 30 40 EFEB C#Cc1cccc(NC(=O)C(=O)N(C)[C@@H]2CC[C@@H](SCC)C2)c1 131664663 QWFDQSQLDBWHDP-HZPDHXFCSA-N 330.453 2.739 30 40 EFEB Cc1ccnc(OC[C@@]23CCC[C@H]2CN(c2ncccc2C#N)C3)n1 1888864060 FJFUMHQYMZDBQE-LPHOPBHVSA-N 335.411 2.737 30 40 EFEB N#Cc1ccc(N2C[C@@H]3CCN(c4ncnc5ccsc45)[C@H]3C2)nc1 1889148897 SIIYHXSMNXHEHK-ZFWWWQNUSA-N 348.435 2.673 30 40 EFEB CCC(=O)C1=C(c2ccccc2)N(C(=O)CC)n2cnnc2S1 4518250 XMCITWCQNSXPIY-UHFFFAOYSA-N 328.397 2.606 30 40 EFEB N#CC1(C#N)[C@H](c2cccnc2)O[C@@]23CCCC[C@@H]2[C@@]1(C#N)C(=N)O3 102720640 TUNJAGRBRMZMRP-IDCJVQTKSA-N 333.351 2.590 30 40 EFEB COc1ccc2c(c1)CCC[C@@H]2CC(=O)[C@@H](C#N)C(=O)NC(C)C 103270751 PXRCGIKGUVRJMH-RHSMWYFYSA-N 328.412 2.739 30 40 EFEB Cc1nccn1CCCC(=O)N[C@H](C#N)c1cnn(-c2ccccc2)c1 68398473 WUEIADLORCHAPU-GOSISDBHSA-N 348.410 2.539 30 40 EFEB CCC(CC)/C(O)=N/S(=O)(=O)c1ccc(OC)cc1[N+](=O)[O-] 48566404 UMZZYRCDDZBFNN-UHFFFAOYSA-N 330.362 2.685 30 40 EFEB C/C(CCC(C)C)=N\NS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 5163565 YJBNWXJOWIJDEI-NTCAYCPXSA-N 327.406 2.994 30 40 EFEB C=CCNC(=O)c1ccccc1NC(=O)c1cccc([N+](=O)[O-])c1 8554508 BZMBXUOGUMIQMD-UHFFFAOYSA-N 325.324 2.763 30 40 EFEB CN(c1ccc(F)c(F)c1)S(=O)(=O)c1cccc(F)c1C#N 71916106 VGKJAPQXLHRAFM-UHFFFAOYSA-N 326.299 2.801 30 40 EFEB CC(C)S(=O)(=O)c1ccccc1NC(=O)N(CCC#N)C1CC1 71920270 WVBZZSODBRFGKB-UHFFFAOYSA-N 335.429 2.779 30 40 EFEB C[C@@](C#N)(NC(=O)CNc1ccc(F)cc1OCC1CC1)C1CC1 72293931 WYQZYZAEXPVQEE-SFHVURJKSA-N 331.391 2.835 30 40 EFEB C/N=C(\NCc1noc(C)n1)NCC(c1ccccc1)c1ccccc1 95963195 MXVZDNAVQBWLKD-UHFFFAOYSA-N 349.438 2.875 30 40 EFEB C=CCN1C(=O)S/C(=C/c2cc(OC)c(OC)cc2OC)C1=O 409106051 QCVQPUKILQIAAB-RIYZIHGNSA-N 335.381 2.935 30 40 EFEB N#Cc1cccc([C@@H]2C[C@H]2C(=O)OCCN2CCCCCC2=O)c1 83147293 CSQAQJQYDULCDI-DLBZAZTESA-N 326.396 2.608 30 40 EFEB CN(C)Nc1c(C(F)(F)F)c(C(F)(F)C(F)(F)F)nn1C 98002727 RGUKLSVDJHNKGT-UHFFFAOYSA-N 326.191 2.982 30 40 EFEB CN(C)[C@H](CNc1ncnc2c1cnn2CCC#N)c1cccs1 65519906 UOGMQXZICDBDEX-CYBMUJFWSA-N 341.444 2.516 30 40 EFEB O=C(Nc1ccccc1F)[C@H]1CCCN1/C=C/C(=O)C(F)(F)F 4119682 FDZWIOGLGDEDMY-YPUOHESYSA-N 330.281 2.874 30 40 EFEB Cc1ccccc1C(=O)/C(=C\N(C)C)c1nnnn1-c1ccccc1 4342916 BIBQKYXJKFCTLK-GHRIWEEISA-N 333.395 2.756 30 40 EFEB COc1ccccc1/N=C1/NC(=O)/C(=C/c2ccc(O)c(O)c2)S1 7276502 QPFFRUKWBXVLPV-DHDCSXOGSA-N 342.376 2.998 30 40 EFEB CN(C(=O)c1ccccc1)C1C[C@@H]2CC[C@H](C1)N2C(=O)CCCC#N 581977406 WJDZTMGLUGTUBG-JWTNVVGKSA-N 339.439 2.974 30 40 EFEB Cc1cc([C@@H](C)NC(=O)CCc2c(C)[nH]c(=O)c(C#N)c2C)c(C)o1 75124488 PHOPSPALNLCJBZ-CYBMUJFWSA-N 341.411 2.883 30 40 EFEB CC(=O)C1=C(O)C(=O)N(c2ccccc2)[C@@H]1c1ccc2c(c1)OCO2 1413148 HFSONLDXTKRZAI-QGZVFWFLSA-N 337.331 2.904 30 40 EFEB C=CCN1C(=O)c2ccc(C(=O)Nc3ccc(N(C)C)cc3)cc2C1=O 12523282 HNHNHZAKGSEVJQ-UHFFFAOYSA-N 349.390 2.787 30 40 EFEB Cc1csc(N2CCN(C(=O)CCc3ccc(C#N)cc3)CC2)n1 27777334 LTZULRUISFYRSN-UHFFFAOYSA-N 340.452 2.605 30 40 EFEB C=CCNC(=O)Cn1cnc2scc(-c3ccc(F)cc3)c2c1=O 12911710 PWIIDFLYJFYKLR-UHFFFAOYSA-N 343.383 2.566 30 40 EFEB COc1cc(/C=C/C(=O)N(C)c2ccnc(C)c2)ccc1OCC#N 96006617 HLTRMTVEANOQBL-FNORWQNLSA-N 337.379 2.977 30 40 EFEB N#Cc1nccnc1N1CCO[C@H](c2ccccc2C(F)(F)F)C1 97081354 YMTRQSTZQYIOPN-AWEZNQCLSA-N 334.301 2.945 30 40 EFEB COC(=O)[C@@H](C)c1c(C)nn(Cc2ccc(OC)c(C#N)c2)c1C 95442490 OLDPQNRDEKTZAW-NSHDSACASA-N 327.384 2.705 30 40 EFEB C=CCN(C)S(=O)(=O)c1ccc(NCc2ncc(CC)o2)cc1 95414825 YCMRHQABUJVRMX-UHFFFAOYSA-N 335.429 2.656 30 40 EFEB Cn1c(=O)[nH]cc(C(=O)/C=C/c2cccc(Oc3ccccc3)c2)c1=O 79098589 RWXHKLVEAOBRAY-ZHACJKMWSA-N 348.358 2.762 30 40 EFEB Cn1cc([C@@H]2C[C@H]2/C(O)=N/S(=O)(=O)c2cccc(Cl)c2)cn1 78556451 ZKNFSSJDYCGUGZ-QWHCGFSZSA-N 339.804 2.522 30 40 EFEB O=C(NCC#CCN1CCc2ccccc2C1)c1c(F)cccc1F 75165001 ZENQODQXDXQXIB-UHFFFAOYSA-N 340.373 2.756 30 40 EFEB CCc1noc(CC)c1CNC(=O)NCc1ccc(C#N)cc1F 87168835 JXGPVZCOGDOXAQ-UHFFFAOYSA-N 330.363 2.810 30 40 EFEB C#CCN(CC)C(=O)c1cc(Br)nc(Br)c1 585126301 VRVDUSQNMSEXDQ-UHFFFAOYSA-N 346.022 2.702 30 40 EFEB COc1cc(C#N)ccc1NC(=O)c1cnn(-c2ccccn2)c1C 613372338 DHCYRNDWCKNSQA-UHFFFAOYSA-N 333.351 2.708 30 40 EFEB CCC(=O)OCOc1ccc(/C=C2/CC[C@@H](CN(C)C)C2=O)cc1 17198779 SMDDTKYJMPEYDY-QZFKAFNDSA-N 331.412 2.900 30 40 EFEB C/C(O)=N/S(=O)(=O)c1ccc(NC(=O)c2cccc(C)c2)cc1 35660 PKLGTFPUJSNYCS-UHFFFAOYSA-N 332.381 2.912 30 40 EFEB N#Cc1ccc(CN2CCN(C(=O)c3cccs3)CC2)c(F)c1 24673353 XYEJYFPNWHPXFU-UHFFFAOYSA-N 329.400 2.717 30 40 EFEB N#C[C@@H](NC(=O)CCc1cscn1)c1cnn(-c2ccccc2)c1 71890184 VZZYZCIKJDGWNS-MRXNPFEDSA-N 337.408 2.642 30 40 EFEB C=CCSCC(=O)Nc1ccc(OCC(=O)N(C)C)c(Cl)c1 71908736 DSSMOFWDGMUDLA-UHFFFAOYSA-N 342.848 2.665 30 40 EFEB C#CCOc1ccccc1/C=N\Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 408935854 DVBWBMGRHOLTAJ-BOPFTXTBSA-N 340.295 2.961 30 40 EFEB C=CCCS(=O)(=O)N1CCC([C@@H](O)c2ccc(Cl)cc2)CC1 95433055 ANYGPBCRGQCSTR-INIZCTEOSA-N 343.876 2.991 30 40 EFEB C=CCn1c(S[C@H](C)c2nnnn2C)nnc1-c1cccs1 189086526 UWQKFBBIGFJOHK-SECBINFHSA-N 333.446 2.569 30 40 EFEB N#CCc1ccc(S(=O)(=O)N[C@H]2CCCOc3ccccc32)cc1 80735577 WMZHASZEJLKLEE-KRWDZBQOSA-N 342.420 2.945 30 40 EFEB N#Cc1cccnc1N1CCC(C(=O)NCCc2cccs2)CC1 63282121 JNPBFQHZHSZSBS-UHFFFAOYSA-N 340.452 2.590 30 40 EFEB C=CCNC(=O)[C@H]1C[C@H]2CC[C@@]1(C)C[C@@]21NC(=O)c2ccccc2N1 100117415 ABGXFBMVSLDRIC-NIJZUDBWSA-N 339.439 2.667 30 40 EFEB COc1ccccc1CNC(=O)Nc1sc2c(c1C#N)CCNC2 57991942 SYDPNQGGTHGXPW-UHFFFAOYSA-N 342.424 2.596 30 40 EFEB CC(C)CN(CC(=O)Nc1c(C#N)cnn1-c1ccccc1)C1CC1 58178331 IFCZRNZLHSTNMB-UHFFFAOYSA-N 337.427 2.803 30 40 EFEB COc1cc(/C=N/c2ccc([N+](=O)[O-])cc2)ccc1OCC(=O)O 409042449 MZKJCZRPIGQHPJ-RQZCQDPDSA-N 330.296 2.817 30 40 EFEB N#Cc1cccc(OCCN2CC[C@H](CNc3ncccc3C#N)C2)c1 65512151 IJZRIPSWIURJGF-QGZVFWFLSA-N 347.422 2.638 30 40 EFEB N#Cc1ccc(CN2CCN(C(=O)CCc3ccsc3)CC2)cc1 17843528 YGFXIKHOFXUEGV-UHFFFAOYSA-N 339.464 2.897 30 40 EFEB CC(C)c1nnc2n1C[C@H](CNCc1ccc(C#N)cc1F)CC2 69894808 TUMPNOQQLIJVRX-AWEZNQCLSA-N 327.407 2.764 30 40 EFEB Cc1nc(C(=O)N2CCC[C@@H]2c2noc(C(C)C)n2)ccc1C#N 76044403 CUXUQHNHNARVOT-CQSZACIVSA-N 325.372 2.745 30 40 EFEB C=C(C)CN1CCN(c2cnn(-c3ccccc3)c(=O)c2Cl)CC1 24585304 RUYAUPBIUQCUJZ-UHFFFAOYSA-N 344.846 2.584 30 40 EFEB C[C@H](NC(=O)Nc1ccccc1)C(=O)N(C)Cc1ccc(C#N)cc1 25115956 HHOCQUHVKCFZSM-AWEZNQCLSA-N 336.395 2.727 30 40 EFEB C=CCN(C(=O)c1cc(Cl)ccc1Cl)[C@@H]1CCS(=O)(=O)C1 60555886 GQBIVTCUPBAASE-LLVKDONJSA-N 348.251 2.809 30 40 EFEB CC1CCC(N2C[C@@H](C(=O)[C@@H](C#N)c3ccccn3)CC2=O)CC1 67001588 OJMYKYVKWPEACL-GRAKBVBRSA-N 325.412 2.685 30 40 EFEB CC/N=C1\S[C@H](CC(=O)N[C@@H](C)c2ccccc2)C(=O)N1CC 95549188 AMSMDYHRNCZFJL-HDUPFGTDSA-N 333.457 2.594 30 40 EFEB O=C(Cn1cnc(Cl)c1Cl)NOC(=O)c1ccccc1Cl 160961 FRVUUYAFMOMPOI-UHFFFAOYSA-N 348.573 2.732 30 40 EFEB N#Cc1cccc(C(=O)Nc2cc3c(cc2Cl)NC(=O)CO3)c1 40510890 RRPGEVIFBRBNAO-UHFFFAOYSA-N 327.727 2.795 30 40 EFEB Cc1ccc2c(c1)CC[C@H]2NC(=O)CCc1c(C)[nH]c(=O)c(C#N)c1C 55659455 DTYWLPFTDQXHJA-LJQANCHMSA-N 349.434 2.908 30 40 EFEB N#Cc1c(CN2C(=O)CN(c3ccccc3)C2=O)cn2ccccc12 58165974 QGNMFOCJAUDGEJ-UHFFFAOYSA-N 330.347 2.780 30 40 EFEB Cc1ccc(OCCN(C)CC(=O)N(C)C2(C#N)CCCCC2)cc1 12772104 DUJLNZKAUNXPPQ-UHFFFAOYSA-N 343.471 2.991 30 40 EFEB N#Cc1nc(C2CC2)oc1N1CCN(C(=O)c2ccc(Cl)o2)CC1 65412769 DTBLWXNEVLZJAZ-UHFFFAOYSA-N 346.774 2.632 30 40 EFEB C=CCc1ccc(OCC(=O)Nc2ccc(C(N)=O)cc2)c(OC)c1 9691785 SMGSEYPNGFHERQ-UHFFFAOYSA-N 340.379 2.540 30 40 EFEB C=CCO[C@H](C)C(=O)NCc1cccc(C(=O)Nc2ccncc2)c1 72285518 VCRHKLSNRRRWKD-CQSZACIVSA-N 339.395 2.541 30 40 EFEB Cc1cc(N2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)c(C#N)c(C)n1 95973042 ZCWABSDRIOWPTM-CYBMUJFWSA-N 338.371 2.564 30 40 EFEB Cc1nc2ccc(Br)cc2c(=O)n1N=Cc1ccccn1 409287013 XXESGQYTQQOUDZ-UHFFFAOYSA-N 343.184 2.745 30 40 EFEB CCOCCCN1C(=O)C(O)=C(C(C)=O)[C@@H]1c1ccc(OCC)cc1 66091533 BLNWEFBQTTWORY-KRWDZBQOSA-N 347.411 2.796 30 40 EFEB Cc1[nH]c2ccccc2c1/C=N/N1C(=O)[C@@H]2[C@@H]3C=C[C@H]([C@@H]4C[C@H]34)[C@H]2C1=O 226662414 IKZCSAPFNLJAJB-KGTYTRQJSA-N 345.402 2.863 30 40 EFEB C/N=C(/NCCc1cccc(OC)c1)NCc1cc(C(C)C)no1 225441535 NUMGQIIAKPNNTR-UHFFFAOYSA-N 330.432 2.714 30 40 EFEB C[C@@H](OC[C@@H]1CCCO1)/C(O)=N/S(=O)(=O)c1ccc(Cl)cc1 69282141 KVNBDFCMTPDCBH-PWSUYJOCSA-N 347.820 2.569 30 40 EFEB N#Cc1ccnc(OC[C@@H]2CCCN(C(=O)CCC(F)(F)F)C2)c1 1776002018 YQSOHHFQACXFIB-CYBMUJFWSA-N 341.333 2.913 30 40 EFEB Cc1ccc(C(=O)C2=C(O)C(=O)N(CCO)[C@H]2c2ccccc2)cc1 13004935 HXJYCZUTLZCWES-KRWDZBQOSA-N 337.375 2.566 30 40 EFEB COc1ccc(CCN(C)c2nnc(C)c(C)c2C#N)cc1OC 29525141 OGVNEFIEXITYAM-UHFFFAOYSA-N 326.400 2.661 30 40 EFEB CN(CCC#N)C(=O)CSc1nnc(C2CC2)n1-c1ccccc1 2625119 OKZHTRVVPYGDTC-UHFFFAOYSA-N 341.440 2.609 30 40 EFEB C=CCn1c(-c2cccs2)nn([C@@H]2CC(=O)[C@H]3OC[C@H]2O3)c1=S 103289895 DBLFEAPCEZCRGX-UDZFHETQSA-N 349.437 2.584 30 40 EFEB N#Cc1ccc(CN2CCN(C(=O)Cc3cccc(F)c3)CC2)cc1 23436771 QONKLQWIUASMFX-UHFFFAOYSA-N 337.398 2.584 30 40 EFEB N#Cc1cccc(CN2CCN(c3oc(C4CC4)nc3C#N)CC2)c1 58308021 ITYBSAZTNQEMPR-UHFFFAOYSA-N 333.395 2.618 30 40 EFEB COC(=O)c1ccc(C)c(/N=C/c2cn(CC(N)=O)c3ccccc23)c1 409385905 OHODDVWXSMYPCP-LSHDLFTRSA-N 349.390 2.972 30 40 EFEB CN(C)c1cccc([C@@H]2CCCN2CC(=O)NC2(C#N)CCCC2)c1 71912075 QSFJTJLMQACWHB-SFHVURJKSA-N 340.471 2.842 30 40 EFEB O=C(CC12CC3CC(CC(C3)C1)C2)NC(=S)/N=C1/NCCS1 21596280 RFVDJQMMEJMYMP-UHFFFAOYSA-N 337.514 2.686 30 40 EFEB C=CCOC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cccc(C)n1)C2 96039656 QOTQUTGGJMFADN-MJGOQNOKSA-N 330.428 2.604 30 40 EFEB Cc1cc(C(=O)N2CCN(c3cc(C#N)ccn3)CC2)c(C)s1 30937642 VFPQQQXGAZLNCV-UHFFFAOYSA-N 326.425 2.594 30 40 EFEB Cc1ccc(C)c(NC(=O)[C@H](C#N)C(=O)c2ccn3cncc3c2)c1 101966154 FLFVWWYZFPCIKU-MRXNPFEDSA-N 332.363 2.912 30 40 EFEB C=CCCC(=O)N1CCC2(CCCN(Cc3ccncc3)C2=O)CC1 108536302 FCFGZGNGOBGWJW-UHFFFAOYSA-N 341.455 2.779 30 40 EFEB C=CC[C@@H]1N(c2ccccc2Cl)C(=O)[C@H]2[C@@H](C(=O)O)[C@H]3C=C[C@@]21O3 100616114 WUUOXQDEXRFYJX-VAVSNJLASA-N 345.782 2.656 30 40 EFEB COc1c2c(cc3c1[C@H](C#C[C@](C)(O)CC(C)C)N(C)CC3)OCO2 34714394 WDWVQTOTLXZGON-YWZLYKJASA-N 345.439 2.753 30 40 EFEB biogenic C[C@@H](NC(=O)C1=NN(c2ccccc2)C(=O)CC1)c1ccc(C#N)cc1 26111316 XGGLZSJASLYEDG-CQSZACIVSA-N 346.390 2.918 30 40 EFEB OC1=Nc2cc3c(cc2/C1=N/NCc1cc(F)ccc1F)OCCO3 44008105 LVVZYJPBEBDOEL-UHFFFAOYSA-N 345.305 2.832 30 40 EFEB C=CCN(C(=O)c1oc2c(C)cccc2c1C)[C@H]1CCS(=O)(=O)C1 57239164 SVNZWSMUXPYCRI-AWEZNQCLSA-N 347.436 2.865 30 40 EFEB C[C@H]1COCCN1CCC(=O)Nc1sc2c(c1C#N)CCCCC2 26451315 AZGZVDUFWAUNOW-ZDUSSCGKSA-N 347.484 2.938 30 40 EFEB CCCNC(=O)[C@@H](C)OC(=O)c1cc(C2CC2)nc(SC)c1C#N 26985543 KWSCTFIUDXUIJS-SNVBAGLBSA-N 347.440 2.624 30 40 EFEB CNC(=O)c1ccc(CN(C)Cc2cn3ccccc3c2C#N)cc1 58295416 LSBMDQWPUVBYPO-UHFFFAOYSA-N 332.407 2.803 30 40 EFEB N#Cc1ccc(Nc2cccc(Cn3cccnc3=O)c2)c([N+](=O)[O-])c1 44976957 BGRSTVBIEKRFJJ-UHFFFAOYSA-N 347.334 2.815 30 40 EFEB N#CCc1ccc(OC[C@@H](O)CN2CCc3sccc3C2)cc1 48235795 UGNYENZRJJYLRG-INIZCTEOSA-N 328.437 2.612 30 40 EFEB CN(CC(=O)Nc1ccccc1Br)c1ncccc1C#N 12818085 SPWSSLZKYWGJMD-UHFFFAOYSA-N 345.200 2.791 30 40 EFEB COc1ccc2c(C/C(O)=N/S(=O)(=O)c3cccnc3)coc2c1 48531856 PEACYSWZKQVYHY-UHFFFAOYSA-N 346.364 2.724 30 40 EFEB C=CCn1c(-c2sc3nc4n(c(=O)c3c2C)CCC4)n[nH]c1=S 4387489 ZIDNHBLGQJJPNB-UHFFFAOYSA-N 345.453 2.820 30 40 EFEB N#C[C@@]1(c2nc3ccccc3c(=O)[nH]2)Cc2ccccc2N2CCC[C@@H]21 6315877 NGQIFILLDVUJMD-NQIIRXRSSA-N 342.402 2.910 30 40 EFEB CC(=O)NCCC(=O)[C@H](C#N)c1nc(-c2c(F)cccc2F)cs1 69666709 QXDUCRNZOYTVKI-JTQLQIEISA-N 349.362 2.791 30 40 EFEB Cc1nnc(N2CCC[C@H](c3noc(C(C)C)n3)C2)c(C#N)c1C 72279249 LQEIXBUARQNBGQ-ZDUSSCGKSA-N 326.404 2.856 30 40 EFEB Cc1ccc(-c2n[nH]c(/N=C(\O)[C@H]3CC(=O)N(C4CCCC4)C3)n2)o1 97049104 BXFYWGIJYDQEHM-NSHDSACASA-N 343.387 2.752 30 40 EFEB CC(C)c1n[nH]c([C@@H]2CN(Cc3ccc(F)cc3C#N)CCO2)n1 78892976 QDRKMYQZUSCCMK-HNNXBMFYSA-N 329.379 2.512 30 40 EFEB N#CC1(NC(=O)CN(Cc2ccccc2)c2ccccc2)CCOCC1 95441248 ZGANXEWQDGBWCG-UHFFFAOYSA-N 349.434 2.882 30 40 EFEB CCCS(=O)(=O)/N=C(\O)c1ccc2c(c1)nc(C(F)(F)F)n2C 95405005 QRNPIODJPHQOHL-UHFFFAOYSA-N 349.334 2.637 30 40 EFEB C=C(C)C[C@@]1(C)COS(=O)(=O)N1C(=O)OCc1ccccc1 2362803171 KQWFRDCGXHGZCO-HNNXBMFYSA-N 325.386 2.625 30 40 EFEB C[C@H](NS(=O)(=O)CC#N)c1ccc(OCc2ccc(F)cc2)cc1 96484878 IHVCORBBSQJCQW-ZDUSSCGKSA-N 348.399 2.909 30 40 EFEB CCOc1cc(CNc2[nH]c(=N)c(C#N)nc2C)ccc1OC(F)F 330032095 IEKZPSLULVCHHO-UHFFFAOYSA-N 349.341 2.681 30 40 EFEB CN(C)C1(C(=O)NC2CCC(Oc3ccccc3C#N)CC2)CCC1 95418264 LGAPIPITNHALLI-UHFFFAOYSA-N 341.455 2.849 30 40 EFEB C=CCOc1ccccc1C(=O)N1CC[C@H]([C@@H](F)C(=O)OCC)C1 585130067 GRVCCPHHYXLISH-XJKSGUPXSA-N 335.375 2.615 30 40 EFEB C=CCO[C@@H](C)C(=O)N[C@@H](C(=O)OC)c1ccccc1C(F)(F)F 65575234 ASPPIHCQDMMKGI-GXFFZTMASA-N 345.317 2.627 30 40 EFEB CCCn1c(=O)[nH]c2ccccc2/c1=N\C(=O)Nc1ccccc1C#N 101113556 IGSWTOGOZVJLPT-HAVVHWLPSA-N 347.378 2.744 30 40 EFEB O=C(NO)c1cc(OCC(F)(F)F)ccc1OCC(F)(F)F 1395706 FECDOUFJJIHVPV-UHFFFAOYSA-N 333.184 2.688 30 40 EFEB Cc1csc([C@H](C#N)C(=O)COC(=O)c2c(F)cccc2F)n1 6606030 DCCCKVSSKOOOQX-SECBINFHSA-N 336.319 2.763 30 40 EFEB CC(=O)[C@H]1C[C@@H](O)[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@H](O)C[C@]12C 118928422 BXGCPPYCSCLHER-YWFCDVSRSA-N 346.467 2.665 30 40 EFEB N#Cc1ccc(NC(=O)COC(=O)CSc2ccccc2)cc1 3499694 HHMVDCMYIYJNKS-UHFFFAOYSA-N 326.377 2.832 30 40 EFEB N#CCCn1ncc2c(N3CCC[C@H]3Cc3ccccc3)ncnc21 65519971 KZAVBGATQCSYOW-INIZCTEOSA-N 332.411 2.951 30 40 EFEB CNC(=S)N/N=C/c1ccc(OCc2ccccc2)c(OC)c1 4675482 DXNYJNKZSSKVKT-YBFXNURJSA-N 329.425 2.702 30 40 EFEB CC(=O)C1=C(C)N=C2SCC(=O)N2[C@H]1c1ccc(N(C)C)cc1 408719602 ZGQLVXIGXMKQMA-INIZCTEOSA-N 329.425 2.602 30 40 EFEB N#Cc1cc(NC[C@@H]2CCCO2)cc(NC[C@@H]2CCCO2)c1[N+](=O)[O-] 71913831 RFHIARYSFWPZIO-GJZGRUSLSA-N 346.387 2.648 30 40 EFEB COc1cc(Cn2cnc(C#N)n2)ccc1OCc1cccc(C#N)c1 83923661 HLYACLLZTAVGHB-UHFFFAOYSA-N 345.362 2.657 30 40 EFEB Cc1nnc(-c2cccc(C#N)c2)n1CC(=O)N1CCc2ccccc21 72292155 IGOCOTLBZONPFH-UHFFFAOYSA-N 343.390 2.715 30 40 EFEB Cc1cc([C@@H]2CCCN(C(=O)[C@H](C)Oc3ccccc3C#N)C2)n[nH]1 78901883 OSFBKAMXLMQTML-GOEBONIOSA-N 338.411 2.763 30 40 EFEB CN(Cc1ccc([S@](C)=O)cc1)c1ccc(C#N)cc1[N+](=O)[O-] 79017384 RCYMYZYOXWFCES-HSZRJFAPSA-N 329.381 2.840 30 40 EFEB O=[N+]([O-])c1cccc(/C=N\Nc2nc3ccccc3n3cnnc23)c1 33334855 VERVUXUHHJLLBD-MFOYZWKCSA-N 333.311 2.632 30 40 EFEB Cc1cc(N2CCN(c3cc(C)ncc3C#N)CC(C)C2)c(C#N)cn1 516279159 PMJLDXOWRRGXIX-UHFFFAOYSA-N 346.438 2.800 30 40 EFEB COc1ccccc1OCCCN1C(=O)/C(=N\O)c2c(C)cccc21 46085039 RTSUGEACFAABLN-ZZEZOPTASA-N 340.379 2.998 30 40 EFEB C=CCOC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc(C)[nH]c1C)C2 96039738 YOGJNZGAJJGADJ-MJGOQNOKSA-N 332.444 2.845 30 40 EFEB N#Cc1ccccc1CS(=O)(=O)NC(=O)c1sccc1C1CC1 69775639 ZWDBLUGOTKTANL-UHFFFAOYSA-N 346.433 2.757 30 40 EFEB CCN(CC)c1ccc(Nc2ncnc3c2cnn3CCC#N)cn1 97199786 CULKVEOBWRZYOV-UHFFFAOYSA-N 336.403 2.725 30 40 EFEB C=CCNC(=O)[C@H](NC(=O)c1ccc(Br)cc1)C(C)C 12766225 LLSXAWJFPWIBER-CYBMUJFWSA-N 339.233 2.506 30 40 EFEB N#CCSc1nnc(-c2cccc(OCc3ccccc3)c2)n1N 15086124 DZJGWFLOAODFBB-UHFFFAOYSA-N 337.408 2.854 30 40 EFEB N#C[C@@H]1[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]2[C@H]2c3ccccc3C=CN21 15989350 VXVQJUHZEAPXAM-YDZRNGNQSA-N 341.370 2.726 30 40 EFEB CN(C)CCN(Cc1cccc(O)c1)C(=O)Nc1cccc(C#N)c1 58107716 FQHHTONQQWXVMT-UHFFFAOYSA-N 338.411 2.860 30 40 EFEB C=CCN(Cc1ccc(OC)cc1)C(=O)c1csc(NC(C)=O)n1 58202419 HZIDXPGHTRVENQ-UHFFFAOYSA-N 345.424 2.939 30 40 EFEB COCCCN1C(=O)C(O)=C(C(=O)c2ccco2)[C@H]1c1ccccc1 6786052 QWXRQLNPRSEXKX-MRXNPFEDSA-N 341.363 2.894 30 40 EFEB CCOc1ccc(CN(C)S(=O)(=O)Cc2ccc(C#N)cc2)cc1 15497617 GRMZITACGDSFBG-UHFFFAOYSA-N 344.436 2.919 30 40 EFEB C=CCN1C(=O)N/C(=C/c2ccc(O[C@H](C)CC)c(OC)c2)C1=O 409128384 OMXIBWALIWBLFV-HLVNSREUSA-N 330.384 2.951 30 40 EFEB Cc1cc(NS(=O)(=O)c2ccc(C#N)cc2C)ccc1C(=O)O 76019389 ZLKHBXFIEBFLRC-UHFFFAOYSA-N 330.365 2.674 30 40 EFEB OC(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F 95681824 CTPJWMXVKNDLCK-UHFFFAOYSA-N 348.083 2.739 30 40 EFEB C#CC[C@H](NC(=O)c1cccc(NS(C)(=O)=O)c1)c1ccccc1 89486864 LSBQVJGYYNNVRE-KRWDZBQOSA-N 342.420 2.553 30 40 EFEB C=CCn1c(=N)n(C[C@H](O)COc2cccc(C)c2)c2ccccc21 20059832 HSNDAGKXFODJQF-INIZCTEOSA-N 337.423 2.857 30 40 EFEB CCOC(=O)COc1ccccc1/C=N\Nc1ccc([N+](=O)[O-])cc1 35044285 BUHPQCJSGDYAMY-WQRHYEAKSA-N 343.339 2.983 30 40 EFEB N#C[C@H](C(=O)Nc1ccccc1)C(=O)c1cnn(Cc2ccccc2)c1 128004525 TZLBVGBWROYDNE-SFHVURJKSA-N 344.374 2.893 30 40 EFEB COc1ccccc1OCCN1C(=O)/C(=N\O)c2cc(C)cc(C)c21 46084916 KKIXENBCMBUOOA-JZJYNLBNSA-N 340.379 2.916 30 40 EFEB CN1CCN(C(=O)[C@H](C#N)Cc2ccc(C#N)cc2)c2ccccc21 280260631 CKFVBYFCUQSXLT-KRWDZBQOSA-N 330.391 2.724 30 40 EFEB CC(C)[C@H](NC(=O)NCc1ccccc1)C(=O)O[C@@H](CC#N)C1CC1 1646916338 ZTQINTCCGHCJLI-IRXDYDNUSA-N 343.427 2.746 30 40 EFEB C/N=C1\S[C@H](CC(=O)Nc2cc(Cl)cc(Cl)c2)C(=O)N1C 17084369 QIZMBWYHLFUBCH-JITTUONFSA-N 346.239 2.882 30 40 EFEB O=C1C(Cl)=C(NCc2ccccc2)C(=O)c2c(O)ccc(O)c21 100253832 YXSDGYYHVRWFOM-UHFFFAOYSA-N 329.739 2.717 30 40 EFEB COc1cc2c(cc1OC)[C@@H]1Cc3ccc(C#N)cc3C(=O)N1CC2 338368 WDWNDEFEJZZVHY-KRWDZBQOSA-N 334.375 2.871 30 40 EFEB biogenic,in-vitro CCc1cccc(C)c1NC(=O)CSc1nc(=O)[nH]c(C)c1C#N 32776371 GPFLYZYNKDZOTA-UHFFFAOYSA-N 342.424 2.552 30 40 EFEB C=CCN1C(=O)[C@](O)([C@H]2CCc3ccccc3C2=O)c2ccccc21 1320429 UROHUNKSUJESGO-LAUBAEHRSA-N 333.387 2.852 30 40 EFEB Cc1cn2c(CN(C)C(=O)c3ccc(C#N)cn3)c(C)nc2s1 89742980 ZIBNQKILBDNJMI-UHFFFAOYSA-N 325.397 2.552 30 40 EFEB CS(=O)(=O)Nc1ccccc1CNc1c(F)cc(C#N)cc1F 58292812 NCLYCPIRCNCHLN-UHFFFAOYSA-N 337.351 2.820 30 40 EFEB C#CCN(Cc1ccc(C)cc1)C(=O)c1csc(-c2nc[nH]n2)n1 69741119 DWFLFIBNMPGURY-UHFFFAOYSA-N 337.408 2.512 30 40 EFEB CCn1c(SCC(=O)NC2(C#N)CCCC2)nnc1-c1ccco1 4516378 YNROKCVXDHJYPR-UHFFFAOYSA-N 345.428 2.603 30 40 EFEB N#Cc1ccc(CSc2n[nH]c(=O)n2CCc2ccccc2)cc1 8150698 DHFYDRIKVKEKFN-UHFFFAOYSA-N 336.420 2.978 30 40 EFEB COc1ccc(-c2c(C(C)C)nn3c(N)c(C#N)cnc23)cc1OC 20636058 IQEFJPLGHXSRPA-UHFFFAOYSA-N 337.383 2.991 30 40 EFEB O/C(=N/Cc1cccc(-n2ccnc2)c1)N1CCC2(CCOCC2)C1 329810968 RCDXDZWIIXJURN-UHFFFAOYSA-N 340.427 2.789 30 40 EFEB Cc1cccc2c1nc1n2[C@@H](CNC(=O)c2ccc(C#N)cc2)COC1 96112601 QIQNXTQJLUGASJ-INIZCTEOSA-N 346.390 2.718 30 40 EFEB biogenic,in-vitro C=C1CN(C(=O)c2ccc(S(=O)(=O)Cc3ccccc3)cc2)C1 1629145110 FTGJIKIZFSXFNV-UHFFFAOYSA-N 327.405 2.673 30 40 EFEB COc1ccccc1OCC#CCNC(=O)[C@H](C)Oc1ccccc1 90610370 XLWGNISCOIWEAE-INIZCTEOSA-N 339.391 2.661 30 40 EFEB N#Cc1ccc(S(=O)(=O)N2CCC[C@@H]2CCc2ccccn2)cc1 1615612824 BOMNIHVTJKEAKY-QGZVFWFLSA-N 341.436 2.739 30 40 EFEB C/C(=N\Nc1nc(C)c(C(=O)O)s1)c1cnc2ccccc2n1 16265871 HXPYKIVEAJNWJZ-UFWORHAWSA-N 327.369 2.929 30 40 EFEB NC(=O)SC/C(=N\S(=O)(=O)c1ccccc1)Nc1ccccc1 13739662 CQHSIADWOWIOFV-UHFFFAOYSA-N 349.437 2.698 30 40 EFEB C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)CN 6067495 RXFLLQMQEWZRSO-OBQKJFGGSA-N 345.483 2.777 30 40 EFEB C#CCNC(=O)Cc1cc(OCC)c(OCC)cc1Br 22762339 SNAQSRBZWGLUIB-UHFFFAOYSA-N 340.217 2.538 30 40 EFEB CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)c1ccccc1F 47010806 KTZDQLZNKRXGPU-UHFFFAOYSA-N 325.387 2.901 30 40 EFEB N#CCc1ccc(OC[C@H](O)CN2CC[C@H](c3ccccc3)C2)cc1 106577093 BQXAJIIJNFCSFP-VQTJNVASSA-N 336.435 2.982 30 40 EFEB CCCn1c(=O)n(CC(=O)Oc2ccccc2C#N)c2ccccc21 27447366 FRVIVDIMWLVTCT-UHFFFAOYSA-N 335.363 2.690 30 40 EFEB Cc1cccc(N2CCN(C(=O)COc3ccccc3C#N)CC2)c1C 3552190 BWCJOIIDHITJLC-UHFFFAOYSA-N 349.434 2.903 30 40 EFEB C#CCN1CCC(C(=O)N2CC[C@@H](CSc3ccccc3)C2)CC1 81287216 FNVIUIBIUSGESP-QGZVFWFLSA-N 342.508 2.972 30 40 EFEB O=c1c2ccccc2nc(O)n1N=Cc1cccn1-c1ccc(F)cc1 409357939 SFUXWWVDIAMBJI-UHFFFAOYSA-N 348.337 2.914 30 40 EFEB Cc1cccc2c1OCC/C2=N/Nc1nc2ccccc2c(=O)n1C 63372450 PUYYSRZBROELJF-PGMHBOJBSA-N 334.379 2.841 30 40 EFEB N#Cc1ccc(C(=O)Nc2sc3c(c2C(N)=O)CCCC3)cc1 4031688 CUHOHIUIUDWYJQ-UHFFFAOYSA-N 325.393 2.850 30 40 EFEB Cc1nc(SCC(=O)N(CCC#N)CCC#N)c2ccccc2n1 4221421 OLPMFCNXWQUIRI-UHFFFAOYSA-N 339.424 2.686 30 40 EFEB Cc1cc(C(=O)Nc2nc(C#N)c(C#N)[nH]2)cc(C)c1OC(F)F 70008191 OYIAQMQIBVCHHQ-UHFFFAOYSA-N 331.282 2.624 30 40 EFEB N#C[C@H](C(=O)OC[C@H]1CCCO1)c1nc2ccccc2nc1Cl 5031692 PZCADNSSDJVFRU-MNOVXSKESA-N 331.759 2.613 30 40 EFEB N#Cc1cccc(NC(=O)COC(=O)c2nccc3ccccc23)c1 64875254 XUJMONKKSKIZKC-UHFFFAOYSA-N 331.331 2.902 30 40 EFEB Cc1c(C(=O)N[C@@]2(C#N)CCSC2)cnn1-c1ccccc1Cl 69699525 SYXDCYDVDULKES-MRXNPFEDSA-N 346.843 2.963 30 40 EFEB Cc1ccn(CC(=O)N(C)[C@H]2CCCc3ccccc32)c(=O)c1C#N 97141211 SOHUGAGULYHMSP-SFHVURJKSA-N 335.407 2.564 30 40 EFEB C#CC[C@H](OC(=O)CCc1c(C)[nH]c(=O)c(C#N)c1C)C(C)(C)C 95942834 HNXDQXOTKRASJC-INIZCTEOSA-N 328.412 2.777 30 40 EFEB C=CCO[C@H]1CC[C@H]2[C@@H]1OCCN2C(=O)Cc1ccc(F)cc1C 97953685 HGCSGRVRXUERQM-LNLFQRSKSA-N 333.403 2.638 30 40 EFEB N#Cc1ccc(OC[C@@H](O)COc2ccc(-n3cccn3)cc2)cc1 95439110 CLKWUSBBLBGFMF-QGZVFWFLSA-N 335.363 2.563 30 40 EFEB COCCN(CCC#N)C(=O)Nc1cc(F)cc(Br)c1 96456335 NMTROPLKOXMIPI-UHFFFAOYSA-N 344.184 2.982 30 40 EFEB CCn1nc(C)c([C@H]2C(C(=O)OC)=C(C)NC3=C2C(=O)CCC3)c1C 5728150 PCKJWPDDPIEAOC-SFHVURJKSA-N 343.427 2.661 30 40 EFEB Cc1cc(C)n(CC(=O)Nc2ccccc2C(F)(F)F)c(=O)c1C#N 3129641 BQEDTBCZNDMOHY-UHFFFAOYSA-N 349.312 2.994 30 40 EFEB O=[N+]([O-])c1ccc(N/N=C\c2ccccc2[N+](=O)[O-])c([N+](=O)[O-])c1 100480829 AYGKPPOWJYTVBQ-ZSOIEALJSA-N 331.244 2.857 30 40 EFEB Cc1noc(C(C)C)c1C(=O)OCC(=O)Nc1oc(C)c(C)c1C#N 21488340 YTTXXQOHYFVBTR-UHFFFAOYSA-N 345.355 2.983 30 40 EFEB C[C@@H]1CN(CCC(=O)Nc2sc3c(c2C#N)CCCC3)C[C@@H](C)O1 25515382 PFAJWSHTJBNQRL-CHWSQXEVSA-N 347.484 2.936 30 40 EFEB COC(=O)c1ccc(OCCOc2ccc(C#N)cc2)c(OC)c1 24093066 DQAXOOGDWTWCQN-UHFFFAOYSA-N 327.336 2.811 30 40 EFEB Cc1nc2sc3c(c2c(=O)n1N=C1C=CC(=O)C=C1)CCCC3 4866115 QGXMDWDESIMBIL-UHFFFAOYSA-N 325.393 2.544 30 40 EFEB CCN(CC)C(=O)[C@H](Sc1ncc(C#N)c(N)n1)c1ccccc1 17669923 NKQOCSZCLRORSI-CQSZACIVSA-N 341.440 2.632 30 40 EFEB CCN(C(=O)c1ccc(C#N)cc1)[C@H]1CCN(c2ccccc2)C1=O 69737065 NDPNVIXZSPBLLE-SFHVURJKSA-N 333.391 2.826 30 40 EFEB N#CCCn1ccc(NC(=O)c2ccc(F)cc2Br)n1 69967438 ZSSMROSZOPHYEJ-UHFFFAOYSA-N 337.152 2.951 30 40 EFEB Cc1nn(C(C)C)c(C)c1S(=O)(=O)N(CC#N)Cc1ccccc1 71909108 FUEODGDMUHVISB-UHFFFAOYSA-N 346.456 2.795 30 40 EFEB C=CCN(CC=C)S(=O)(=O)c1cc(C)c2c(c1)C(C)(C)C(=O)N2C 71195972 NYJUVXPSCFGCRR-UHFFFAOYSA-N 348.468 2.612 30 40 EFEB COc1cc(/C=N/Nc2nc3ccccc3n2C)c(O)c([N+](=O)[O-])c1 408646378 AWTQJOIXYCCRJA-RQZCQDPDSA-N 341.327 2.642 30 40 EFEB N#Cc1cccc(CNC(=O)NCCCc2nc3ccccc3[nH]2)c1 42319209 HRVSWMSSEGMCIH-UHFFFAOYSA-N 333.395 2.867 30 40 EFEB C=CCN(c1ccc2c(c1)OCCO2)S(=O)(=O)c1cccs1 225134754 JWBKTIRMIXVHSY-UHFFFAOYSA-N 337.422 2.901 30 40 EFEB COc1ccccc1N1CCC[C@@H](NC(=O)C2(C#N)CCCC2)C1 96409309 BVVYWXQZMLDTFW-OAHLLOKOSA-N 327.428 2.864 30 40 EFEB C[C@@H]1C[C@H](CO)CN(c2nc3c(c(C#N)c2C#N)CCCCCC3)C1 584832585 QSOWAQFBSNEZOS-CABCVRRESA-N 338.455 2.939 30 40 EFEB N#CCCN(CCC#N)c1ccc(/C=C2\SC(=S)NC2=O)cc1 1652381 YFYBUQFLYHSAPN-KAMYIIQDSA-N 342.449 2.809 30 40 EFEB O=C(Cn1cnc(Cl)c1Cl)NOC(=O)c1ccc(Cl)cc1 160960 BRAVUBHMUYABCR-UHFFFAOYSA-N 348.573 2.732 30 40 EFEB Cc1ccc(C(=O)N2CC[C@]3(CC(=O)N(c4cccc(C#N)c4)C3)C2)o1 1565552750 VWJPYVPWUWSOOY-FQEVSTJZSA-N 349.390 2.729 30 40 EFEB N#Cc1c(C(F)(F)F)cc(-c2ccco2)nc1SCC(N)=O 12422058 RJJFKFONTOJKAQ-UHFFFAOYSA-N 327.287 2.809 30 40 EFEB C=C(C)CN(CC)C(=O)c1cc(Cl)ccc1NS(C)(=O)=O 69483952 VHKSKBJIYVWPAY-UHFFFAOYSA-N 330.837 2.750 30 40 EFEB N#CC1(C#N)[C@H](c2ccccn2)O[C@@]23CCCC[C@@H]2[C@@]1(C#N)C(=N)O3 102717665 OTQRLNCCPUJYEO-IDCJVQTKSA-N 333.351 2.590 30 40 EFEB CCOc1cc(C#N)ccc1OCC(=O)N1CCO[C@H]2CCCC[C@@H]21 46494664 JNSDCFOOAMODET-HOTGVXAUSA-N 344.411 2.506 30 40 EFEB O=C1Nc2cc([N+](=O)[O-])ccc2N/C1=C\C(=O)c1ccc(F)cc1 104237953 AVHZKZLHOGKILJ-ZSOIEALJSA-N 327.271 2.865 30 40 EFEB C=CCN1C(=O)/C(=C\c2cccc([N+](=O)[O-])c2OC)SC1=S 1199712 YWOUFOSLGMXEDS-DHZHZOJOSA-N 336.394 2.991 30 40 EFEB C/C(=N\NS(=O)(=O)c1cc(C)ccc1C)c1ccc2c(c1)OCO2 8084882 CVYNZPHDOIVKDN-QGOAFFKASA-N 346.408 2.735 30 40 EFEB C[C@](C#N)(NC(=O)CNc1cc(Cl)ccc1-n1cccn1)C1CC1 55874609 DULXVIOEBXQJQU-QGZVFWFLSA-N 343.818 2.746 30 40 EFEB CCOc1ccc([C@]2(C)NC(=O)N(Cc3ccc(C#N)cc3)C2=O)cc1 12741702 PSNXKCHYJNYFIH-FQEVSTJZSA-N 349.390 2.924 30 40 EFEB C[C@@H](Sc1nc(-c2ccc(Cl)cc2)c(C#N)c(=O)[nH]1)C(=O)O 4226868 FGDVFACPAXCSFV-SSDOTTSWSA-N 335.772 2.527 30 40 EFEB N#Cc1cc2c(=O)n3ccccc3nc2n(-c2ccccc2Cl)c1=O 5152573 OYUYHMIBNHUWKE-UHFFFAOYSA-N 348.749 2.524 30 40 EFEB O=c1c2ccccc2nc(N/N=C/c2c(O)ccc3ccccc23)n1O 5342269 CJYCDMVJYJXMEA-RGVLZGJSSA-N 346.346 2.939 30 40 EFEB N#Cc1nc(N2CCC(C(=O)N3CCCCC3)CC2)ccc1Cl 65587211 JAOZKOHIRCJJGO-UHFFFAOYSA-N 332.835 2.836 30 40 EFEB C[C@@H](N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O)c1cncc(F)c1 96500308 AOQLAMMWIONZOD-ACJLOTCBSA-N 338.386 2.939 30 40 EFEB CCC(C)(C)NC(=O)[C@@H](C)n1c(C)nnc1-c1cccc(C#N)c1 96455280 OOVGAHLSJZMJMT-GFCCVEGCSA-N 325.416 2.991 30 40 EFEB Cn1cc([C@@H]2CCCN2C(=O)c2cn(CC#N)c3ccccc23)cn1 72255003 HANSKTFBAZJKOL-KRWDZBQOSA-N 333.395 2.876 30 40 EFEB CN(C)C(=O)c1ccc(CO/N=C(/N)c2cccc(Cl)c2)cc1 95964040 BLKPZZNZRLXABA-UHFFFAOYSA-N 331.803 2.879 30 40 EFEB CC/N=C(/NCCc1cccnc1)NC[C@H]1CCO[C@@H]1C(C)(C)C 95963221 NTJBUEYRTPAWNI-SJORKVTESA-N 332.492 2.630 30 40 EFEB C=CCNC(=O)C1(NC(=O)/C=C/c2cnc(C)s2)CCCCC1 78996399 PVUXUXRGZNJKAX-BQYQJAHWSA-N 333.457 2.586 30 40 EFEB N#C[C@@]1(C=O)[C@H](c2ccccc2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 225634578 LAOQKYXEDYTYNM-IXDOHACOSA-N 345.807 2.989 30 40 EFEB C/C(=N\OCC(=O)N1CC(C)(C)C1(C)C)c1ccc2c(c1)OCO2 584907268 SCGQHJSMMFCZSJ-XDHOZWIPSA-N 332.400 2.803 30 40 EFEB C=C(Br)CNC(=O)N1CCO[C@@H](c2ccccc2F)C1 67066082 WXXLNFURILLBFU-CYBMUJFWSA-N 343.196 2.817 30 40 EFEB N#Cc1c(Cl)nsc1NC1CCN(C(=O)c2ccoc2)CC1 51655284 INUHBDAEESGCOF-UHFFFAOYSA-N 336.804 2.978 30 40 EFEB CC(C)(C)c1nnc(CNC(=O)NCC#Cc2ccccc2)s1 89761545 PNNUJHHOXLRAAL-UHFFFAOYSA-N 328.441 2.687 30 40 EFEB Cc1cnc(NC(=O)C2CCN(c3ccc(C#N)cn3)CC2)s1 25282391 BBPHINOQFVVRMJ-UHFFFAOYSA-N 327.413 2.573 30 40 EFEB COc1ccc(CNC(=O)CSc2nc(C)cc(C)c2C#N)cc1 12568221 MIYHVJNZSNFTMJ-UHFFFAOYSA-N 341.436 2.987 30 40 EFEB N#Cc1ccccc1OCCSc1nncn1Cc1ccco1 58150315 APMPCZMTVHLMFH-UHFFFAOYSA-N 326.381 2.962 30 40 EFEB C=CCn1c(=O)n2nc(-c3cccnc3)nc2c2c3c(sc21)CCC3 13692560 JQMNZVWITVKJDP-UHFFFAOYSA-N 349.419 2.842 30 40 EFEB C#CCCCCC(=O)N[C@@H](CC(=O)OC)c1ccc(OC)c(OC)c1 95983767 FEJGMCYQXYFFJG-HNNXBMFYSA-N 347.411 2.618 30 40 EFEB O=S(=O)(/N=C(\O)c1ccsc1)c1cnn(Cc2ccccc2)c1 79014812 ITXWGVJRHPSJNA-UHFFFAOYSA-N 347.421 2.686 30 40 EFEB C[C@@H](C(=O)Nc1cccc(C#N)c1)N(C)Cc1nccn1C(F)F 72766847 HNOPDCOVVQXHEZ-NSHDSACASA-N 333.342 2.609 30 40 EFEB C=CCN(c1cc([N+](=O)[O-])ccc1OC)S(=O)(=O)c1ccccc1 224672166 IZVDQECXGFOFLR-UHFFFAOYSA-N 348.380 2.985 30 40 EFEB N#Cc1c(CNc2ccccc2CN2CCNC2=O)cn2ccccc12 193477547 OXPSAFSXOZTDCJ-UHFFFAOYSA-N 345.406 2.948 30 40 EFEB CN(C)CCn1ccc2ccc(NC(=O)c3ccc(C#N)cn3)cc21 96443719 IYTUBRVGSPYVAY-UHFFFAOYSA-N 333.395 2.722 30 40 EFEB N/C(=N\OC(=O)Nc1ccc(Cl)cc1)c1nccnc1Cl 4286760 AYUNXFOUFITVSQ-UHFFFAOYSA-N 326.143 2.652 30 40 EFEB COc1ccc(C)cc1N1CC(=O)C(c2nc3ccc(C)cc3[nH]2)=C1N 5182835 BFFIKJPFNFXHNY-UHFFFAOYSA-N 348.406 2.905 30 40 EFEB COc1c(C)cnc(CNC(=O)[C@H](C)Oc2ccccc2C#N)c1C 50448310 TZLZXHREBLWHTP-AWEZNQCLSA-N 339.395 2.662 30 40 EFEB N#Cc1c(N)n(-c2cccc(C(=O)O)c2)c2nc3ccccc3nc12 81470 VFGICKXXOMHSPW-UHFFFAOYSA-N 329.319 2.726 30 40 EFEB C=CCNC(=O)[C@H](C)N1CCC(C(=O)c2ccc(C)cc2C)CC1 32825552 ISMBBUGSZKJCJD-INIZCTEOSA-N 328.456 2.889 30 40 EFEB CC(C)NC(=O)c1ccccc1S(=O)(=O)c1ccccc1C#N 1382475 PTTYSZVJKNJBMM-UHFFFAOYSA-N 328.393 2.529 30 40 EFEB N#Cc1ccc(COC(=O)[C@H]2CCCN2C(=O)c2cccs2)cc1 3298489 LSAQPHWTEOVTNH-OAHLLOKOSA-N 340.404 2.968 30 40 EFEB C=C(C)CN(CC)C(=O)CSc1nc(O)c2cc(F)ccc2n1 58281472 WTGRSRXWMLZAEQ-UHFFFAOYSA-N 335.404 2.991 30 40 EFEB C=CCOc1ccc(C(=O)Nc2ccccc2CC(N)=O)cc1OC 58209828 UPKUULPNMJTUDC-UHFFFAOYSA-N 340.379 2.540 30 40 EFEB Cc1ccc(OCCN(C)S(=O)(=O)Cc2ccccc2C#N)cc1 12808491 PLOMSCIEZAGIKC-UHFFFAOYSA-N 344.436 2.707 30 40 EFEB N#CCOC(=O)c1ccc(Oc2ccc(C(=O)OCC#N)cc2)cc1 3536490 IHFJVHSGTSYVSY-UHFFFAOYSA-N 336.303 2.840 30 40 EFEB N#Cc1ccc(C(=O)NCC(=O)N2CCC[C@@H]2c2ccsc2)cc1 69559072 YTUWJSLURUHFQF-MRXNPFEDSA-N 339.420 2.713 30 40 EFEB CC(=O)C1=C(O)C(=O)N(CCCCCC(=O)O)[C@@H]1c1ccccc1 18098006 IINIQSYJRNTYTO-MRXNPFEDSA-N 331.368 2.616 30 40 EFEB biogenic C[C@H]1CCc2sc(C(=O)OCC(=O)N[C@@](C)(C#N)C3CC3)cc2C1 5773449 CKLFDWHKARMSLP-VOJFVSQTSA-N 346.452 2.838 30 40 EFEB N#Cc1ccc(N2CCC[C@H](N3CC[C@H]4OCCC[C@@H]4C3)C2=O)cc1 97048468 APDCWCWSQIUAHT-NZSAHSFTSA-N 339.439 2.555 30 40 EFEB Cc1ccc(N2C(=O)[C@H](/C=N/C3CCCCC3)C(=O)NC2=S)cc1 408759835 MMYVEKHYICNXCR-SKCQWOFPSA-N 343.452 2.762 30 40 EFEB C#CCN1CCC(C(=O)N2CCC[C@@H]2CC(=O)c2ccccc2)CC1 85490893 WQDRCTWJNKPECG-LJQANCHMSA-N 338.451 2.596 30 40 EFEB O=C(/N=C1\NCCS1)[C@H]1CC(c2ccc(Cl)cc2Cl)=NO1 95953147 DCAXFQSCNNUYEJ-LLVKDONJSA-N 344.223 2.705 30 40 EFEB COc1ccccc1CN/N=C/c1cc(OC)c(OC)cc1[N+](=O)[O-] 20762018 OAOYLPGPPDUVQR-YBFXNURJSA-N 345.355 2.744 30 40 EFEB C=CCCO[C@H](C)/C(O)=N/S(=O)(=O)c1ccc(C#N)c(Cl)c1 78612377 ZIPKQGQTNOLHLM-SNVBAGLBSA-N 342.804 2.838 30 40 EFEB N#Cc1ccccc1Cn1cc([C@H]2OCCN2Cc2ccccc2)nn1 216772743 FNYJVTJCQAEGNK-HXUWFJFHSA-N 345.406 2.729 30 40 EFEB CN1C(=S)S[C@](C)(/[N+]([O-])=C\c2ccc([N+](=O)[O-])cc2)C1(C)C 39366569 XMENNPMGTNCEDS-FSEGOYHTSA-N 339.442 2.982 30 40 EFEB Cc1cc([C@@H]2CCCN2C(=O)[C@H](C)Oc2ccc(C#N)cc2)on1 47294344 FIAOTNBXICYDBV-BBRMVZONSA-N 325.368 2.986 30 40 EFEB CCOc1ccc(S(=O)(=O)/N=C(\O)CC[C@@H]2CCCO2)cc1 48452920 IWTSIQZXTOZZKW-LBPRGKRZSA-N 327.402 2.690 30 40 EFEB COc1cc(/C=C2\CS(=O)(=O)c3ccccc3C2=O)cc(OC)c1 28912922 WXEGNCILQSHNMP-NTUHNPAUSA-N 344.388 2.757 30 40 EFEB COc1ccc([C@H]2c3sc(=O)[nH]c3SC[C@H]2C=O)cc1OC 587358 GPVRNEQZVHQYAN-BXKDBHETSA-N 337.422 2.506 30 40 EFEB N#Cc1ccc(C(=O)Nc2sc3c(c2C(N)=O)CCCC3)c(F)c1 9142119 IHISTHRJNBKKSL-UHFFFAOYSA-N 343.383 2.989 30 40 EFEB C[C@@H](O)[C@]12O[C@H]1C[C@H]1[C@@H]3C[C@H]4O[C@@]45C[C@@H](O)CC[C@]5(C)[C@H]3CC[C@@]12C 118936546 RJABTWNZKWUIGQ-OWLOFSMBSA-N 348.483 2.650 30 40 EFEB CCN1CCC(N(C(=O)[C@H](C)Oc2ccc(C#N)cc2)C2CC2)CC1 57371117 FGEANJGXYZUTCL-HNNXBMFYSA-N 341.455 2.801 30 40 EFEB N#Cc1ccc(CNC[C@H](c2cccs2)N2CCOCC2)cc1 48324779 VQXLEJLZGRPMEG-QGZVFWFLSA-N 327.453 2.783 30 40 EFEB C#CCN1CCC(C(=O)Nc2nc(-c3ccc(C)s3)ns2)CC1 65513360 KONAOGHOLVUTLI-UHFFFAOYSA-N 346.481 2.859 30 40 EFEB C=CCn1cc(C(=O)NCC(=O)N2CCCCC2)c2ccccc21 66393691 UPWRXJYLOJHRFB-UHFFFAOYSA-N 325.412 2.570 30 40 EFEB BrC(=C\c1ccccc1)/C=N/Nc1ccc2nncn2n1 8617082 JTLAOTXPOJNRJW-OOBCCFMBSA-N 343.188 2.958 30 40 EFEB Cc1nc(CN2CCCN(C(=O)c3cccc(C#N)c3)CC2)cs1 71863980 UKOVJXACWTYSOH-UHFFFAOYSA-N 340.452 2.671 30 40 EFEB Cc1ccc(S(=O)(=O)[C@@H]2[C@@H](c3ccc(F)cc3)[C@@]2(C#N)CO)cc1 225655955 NHOFTUQPJICLKX-KZNAEPCWSA-N 345.395 2.576 30 40 EFEB O=C(COc1ccc2ccccc2c1)NCC#CCN1CCCCC1 75164757 NVNAZKIQHFRBIR-UHFFFAOYSA-N 336.435 2.824 30 40 EFEB Cc1ccc(Cn2cccc(NC(=O)c3cc(C#N)cn3C)c2=O)cc1 95436464 ZAALCMGIUOGNFV-UHFFFAOYSA-N 346.390 2.668 30 40 EFEB COc1ccc([C@H](CN[C@@H]2CCC[C@@H](C#N)C2)N2CCOCC2)cc1 248945899 ZGINJGQDPRBLHO-POAQFYNOSA-N 343.471 2.740 30 40 EFEB N#CC1(C#N)[C@@H](c2ccncc2)O[C@@]23CCCCC[C@H]2[C@]1(C#N)C(=N)O3 5067647 LTEPMQYWZQIEHW-OSGQAZFXSA-N 347.378 2.981 30 40 EFEB N#Cc1ccc(N2C[C@@H]3CCN(c4nc5ccccc5o4)[C@@H]3C2)nc1 1889186311 WUUOQHBVNNVYMX-GOEBONIOSA-N 331.379 2.810 30 40 EFEB CN(C)S(=O)(=O)c1ccc(COc2ccc(C#N)cc2Cl)o1 40538638 VOOLAYWOWSRVFO-UHFFFAOYSA-N 340.788 2.634 30 40 EFEB CC(C)(C)OC(=O)N1CCC(NC(=O)c2ccc(C#N)cc2)CC1 60555197 BQWIAFXLZDVFHH-UHFFFAOYSA-N 329.400 2.688 30 40 EFEB COc1ccc(CC(=O)N2CCCN(c3ccccc3C#N)CC2)cc1 46848705 NVPIWQCITOABAK-UHFFFAOYSA-N 349.434 2.848 30 40 EFEB CC/N=C(\NCc1ccccn1)NC[C@@H]1CCO[C@H]1c1ccccc1 104202040 ORSQSEBRWONMRZ-HKUYNNGSSA-N 338.455 2.915 30 40 EFEB COC1(OC)[C@H](/C=C\c2ccc(C)cc2)C(C#N)(C#N)C1(OC)OC 13111099 GYTCFYIQKPCWCT-BLIJAFNYSA-N 342.395 2.650 30 40 EFEB N#Cc1ccc(OC[C@@H](O)CN2CCC[C@@H](C(F)(F)F)C2)cc1 14200851 MMUCKABVBYRODB-KGLIPLIRSA-N 328.334 2.572 30 40 EFEB CN(CCC#N)C(=O)CSc1nccn1-c1ccc(Cl)cc1 5972453 LJJWSNFVIIYUCB-UHFFFAOYSA-N 334.832 2.990 30 40 EFEB N#Cc1cccc(CNC(=O)NC[C@H](O)c2ccc(Cl)c(F)c2)c1 95447197 CUBAFMMXBOHGLL-INIZCTEOSA-N 347.777 2.884 30 40 EFEB CCC(=O)N1CCC[C@@H](C(=O)OC[C@@H](C#N)Cc2ccc(F)cc2)C1 78442599 LZNCOKKLSOMTCE-HZPDHXFCSA-N 346.402 2.700 30 40 EFEB Cc1ccc(S(=O)(=O)[C@H]2[C@H](c3ccc(F)cc3)[C@@]2(C#N)C=O)cc1 225663453 GNCCHFLGTJKCIP-OKZBNKHCSA-N 343.379 2.783 30 40 EFEB N#CCc1cccc(C(=O)N(CCN2CCOCC2)c2ccccc2)c1 195343389 XOQARKIAAFVUQS-UHFFFAOYSA-N 349.434 2.732 30 40 EFEB C=CCOC[C@@H]1CC[C@H]2[C@@H]1OCCN2C(=O)c1cc(F)cc(F)c1 96082481 LHUUFXIRUAJUIQ-AFAVFJNCSA-N 337.366 2.787 30 40 EFEB C=C[C@@H](C)Sc1nc2c(c(=O)[nH]c(=O)n2C)n1CCCCCC 5397708 GKZTWSBGIWVTJM-LLVKDONJSA-N 336.461 2.670 30 40 EFEB COc1cc(/C=N/n2c(C)nc3c([nH]c4ccccc43)c2=O)ccc1O 499662 JAJODEKKLUKHPQ-KEBDBYFISA-N 348.362 2.783 30 40 EFEB Cc1ccc(/C(N)=N/OCC(=O)N[C@H](C)[C@H]2C[C@@H]3CC[C@@H]2C3)cc1 102887344 KAXVZJQZATYJGL-MUIFIZLQSA-N 329.444 2.573 30 40 EFEB N#CCOC(=O)C[C@@H]1Sc2ccc(C(F)(F)F)cc2NC1=O 12426631 KLKUPOJYEDPUIQ-JTQLQIEISA-N 330.287 2.575 30 40 EFEB CCc1ccc(C(=O)C2=C(CC(=O)O)C(=O)N(CC)[C@@H]2SC)cc1 62716313 STNDZDSDLCHRBR-GOSISDBHSA-N 347.436 2.754 30 40 EFEB C=CCNc1nnc(SCc2nc(N)c3ccccc3n2)s1 12544096 NDPCXXQNUWARDN-UHFFFAOYSA-N 330.442 2.954 30 40 EFEB C[C@](CC(=O)Nc1ccc(OCC#N)cc1)(C(=O)O)c1ccccc1 8392439 NCCLBNXWHSSQEI-LJQANCHMSA-N 338.363 2.960 30 40 EFEB COc1cc(C#N)ccc1OCC(=O)N(C)Cc1ccc(F)cc1 3410716 WTROAFLPBNIRMP-UHFFFAOYSA-N 328.343 2.743 30 40 EFEB COc1cccc(NC(=O)[C@H](C#N)Cc2ccc(O)c(OC)c2)c1 4670559 LPCUJZSTSJVHPP-ZDUSSCGKSA-N 326.352 2.730 30 40 EFEB CC(=O)Nc1ccc(S(=O)(=O)N(CC#N)c2cccc(F)c2)cc1 71902995 RCYGNFYCWTVGKX-UHFFFAOYSA-N 347.371 2.503 30 40 EFEB C=CCCO[C@H](C)C(=O)N[C@H]1CCN(c2ccccc2Cl)C1=O 71894225 VWLVUSZRZFBUFA-OCCSQVGLSA-N 336.819 2.543 30 40 EFEB COC(=O)[C@H]1CCC[C@@H]1C(=O)N(Cc1ccc(C#N)cc1)C(C)C 97233593 BZOYUMWBOVCFLJ-IRXDYDNUSA-N 328.412 2.885 30 40 EFEB N#Cc1ccc(N2CC[C@@]3(CCN(Cc4ccccc4)C3)C2)nc1N 569589705 AUGSXXLCQRVYTI-HXUWFJFHSA-N 333.439 2.638 30 40 EFEB N#Cc1ccc(C(=O)NC[C@](O)(c2ccsc2)c2ccco2)cc1 253473885 ZLLNWHBTIMGWRX-SFHVURJKSA-N 338.388 2.879 30 40 EFEB Cc1ccc(NC(=O)c2cnc3nc(SCC#N)nn3c2C)cc1 17070991 ZJCQLHHCXHBSEA-UHFFFAOYSA-N 338.396 2.609 30 40 EFEB N#Cc1ccc2ncc(S(=O)(=O)c3cc(F)cc(F)c3)c(O)c2c1 15829356 NCBXOKGFMJTRLU-UHFFFAOYSA-N 346.314 2.923 30 40 EFEB C=C1CC[C@@H]2[C@@](C)(CC[C@@H](O)[C@@]2(C)CO)[C@H]1/C=C/C1=CCOC1=O 4073337 XMJAJFVLHDIEHF-CRZFDNEKSA-N 332.440 2.768 30 40 EFEB in-vitro C=CCn1c(O)c(C(=O)Nc2ncccc2C)c(=O)c2ccccc21 5687842 UBHXZSYVLWXLIO-UHFFFAOYSA-N 335.363 2.849 30 40 EFEB N#Cc1nc(C2CC2)oc1N1CCN(C(=O)Nc2ccccc2)CC1 32827811 ULHJYXDJEQJNRP-UHFFFAOYSA-N 337.383 2.778 30 40 EFEB C=CCNC(=O)c1cnn(-c2ccc(F)cc2F)c1-n1cccc1 22572788 VPJYXVZUTJBERH-UHFFFAOYSA-N 328.322 2.857 30 40 EFEB CN(C)C(=O)COc1ccc(NC(=O)Nc2ccc(C#N)cc2)cc1 24747570 JRARDMZVWNIRAV-UHFFFAOYSA-N 338.367 2.669 30 40 EFEB CCC/C(O)=N/S(=O)(=O)c1ccc(OC)c(Br)c1 66741802 PMOXLLZQXFTUQJ-UHFFFAOYSA-N 336.207 2.903 30 40 EFEB COc1cc(F)c(NS(=O)(=O)c2ccc(C#N)cc2)cc1OC 69442987 DRJWOCNXFMMDPS-UHFFFAOYSA-N 336.344 2.515 30 40 EFEB C#CCN1CCC(C(=O)N[C@H](C)c2nc(C(C)(C)C)cs2)CC1 69897811 DMOIENYFUXGRIC-CYBMUJFWSA-N 333.501 2.963 30 40 EFEB C=C(C)COc1cccc(NC(=O)N2CCC(NC(C)=O)CC2)c1 67318714 XDZGIGQGKYAVHQ-UHFFFAOYSA-N 331.416 2.774 30 40 EFEB C=CCN(c1ccccc1)S(=O)(=O)c1ccsc1C(=O)OC 9320648 VGLAWANZZWAGGW-UHFFFAOYSA-N 337.422 2.916 30 40 EFEB N#Cc1ccccc1N1CCCN(C(=O)[C@H]2Cc3ccccc3O2)CC1 71851671 ADIOJICURLSMQB-HXUWFJFHSA-N 347.418 2.601 30 40 EFEB N#C[C@]1(NC(=O)c2cnc(Cc3ccccc3)s2)CCSC1 87233688 YNHHZFOESKSCPI-MRXNPFEDSA-N 329.450 2.863 30 40 EFEB Cc1ccccc1[C@H]1C[C@H]1C(=O)N1CCN(c2ccc(C#N)cn2)CC1 95400025 VWAHGWWARAHSTQ-RTBURBONSA-N 346.434 2.714 30 40 EFEB C=C(C)CN1CCC(NC(=O)N[C@H](C)Cc2c(C)noc2C)CC1 78848374 CPCRZOQJRGUWLA-CYBMUJFWSA-N 334.464 2.562 30 40 EFEB Cc1c(C(=O)[C@H](C#N)c2nc3ccccc3[nH]2)cnn1-c1ccccn1 89545031 SXXGZYHUXLKZHM-ZDUSSCGKSA-N 342.362 2.942 30 40 EFEB 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2.840 30 40 EFEB CC(C)(C)C1CCC(=N/N=C2/NC(=O)[C@H](CC(=O)O)S2)CC1 969372 BTUTVDJNWMNRMQ-UMJHXOGRSA-N 325.434 2.641 30 40 EFEB CN(Cc1ccccc1)C[C@H](C#N)[C@@H](O)c1ccc([N+](=O)[O-])cc1 106176481 KJGIXGGJUXKFTJ-WMZOPIPTSA-N 325.368 2.900 30 40 EFEB C[C@H]1CN(Cc2ccccc2)CC[C@H]1N(C)C(=O)c1ccc(C#N)cn1 106855737 UODKKROABKMJAK-OXJNMPFZSA-N 348.450 2.936 30 40 EFEB C=CCn1c(SCC(=O)NCc2ccco2)nnc1-c1ccco1 12940971 BAQMHCMRJUPVAI-UHFFFAOYSA-N 344.396 2.726 30 40 EFEB CCc1nnc(NC(=O)c2c(C)oc(-n3cccc3)c2C#N)s1 7667686 AMBJIEMIXVQIBE-UHFFFAOYSA-N 327.369 2.917 30 40 EFEB CCN(C(=O)CCSCC(=O)OC)[C@@H](C)c1ccc(C#N)cc1 65609912 GYKHWTZGLZETNI-ZDUSSCGKSA-N 334.441 2.764 30 40 EFEB O=[N+]([O-])c1ccc(N/N=C\c2cc(Cl)cc([N+](=O)[O-])c2O)nc1 408748727 BYDBRMYFHKHALC-WCSRMQSCSA-N 337.679 2.703 30 40 EFEB O=C(/C=C/c1ccccc1)NCC#CCN1CCc2ccccc2C1 70641610 WTBJAUYUSHUKGN-OUKQBFOZSA-N 330.431 2.878 30 40 EFEB S=C(N/C(=N/c1ccccc1)c1ccccc1)N1CCOCC1 32501417 MUHYSYIZERNUQY-UHFFFAOYSA-N 325.437 2.972 30 40 EFEB 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Cn1cc(S(=O)(=O)/N=C(\O)[C@@H]2C[C@H]2c2cccc(Cl)c2)cn1 50205283 HOJKSTNXGWZVEI-QWHCGFSZSA-N 339.804 2.522 30 40 EFEB N#Cc1c(-c2ccccc2)c(-c2ccccc2)nn(CC(=O)O)c1=O 1585091 YHGCWBRBAPIPDG-UHFFFAOYSA-N 331.331 2.534 30 40 EFEB COc1ccc(/C=N\Nc2ccc([N+](=O)[O-])cc2)c(C(=O)O)c1OC 31829084 DZHKCOCZYQVFIV-MFOYZWKCSA-N 345.311 2.756 30 40 EFEB CC(C)(C)OC(=O)N[C@H](/C(N)=N\O)c1ccccc1OC(F)(F)F 62152057 QPHDBLHAVOQTKO-JTQLQIEISA-N 349.309 2.897 30 40 EFEB in-vitro Cc1ccc([C@H]2C3=C(CCCC3=O)Nc3[nH]c(=S)[nH]c(=O)c32)o1 44973868 LLVBFVOANYJPQA-LBPRGKRZSA-N 329.381 2.898 30 40 EFEB COc1ccc(/C=N/n2c(O)nc3c([nH]c4ccc(C)cc43)c2=O)cc1 8914803 SUOQBPDENKNQFZ-KEBDBYFISA-N 348.362 2.783 30 40 EFEB N#CCCn1ncc2c(NCc3ccccc3N3CCCC3)ncnc21 97200090 JTVQMDJKXVXPCE-UHFFFAOYSA-N 347.426 2.952 30 40 EFEB Cn1c(-c2ccccc2)nnc1[C@H](C#N)C(=O)CCc1cccnc1 95443164 RXSUIGZVAHCBDY-MRXNPFEDSA-N 331.379 2.686 30 40 EFEB CN(Cc1noc(C2CC2)n1)[C@@H]1CCN(Cc2ccc(C#N)cc2)C1 95402302 XIBZUXUUIXLYHA-QGZVFWFLSA-N 337.427 2.525 30 40 EFEB Cn1cc(/C=N/N2C(=O)[C@@H]3[C@H]4C=C[C@@H](CC4)[C@H]3C2=O)c2ccccc21 409173957 QGCXUSQWQDUSBA-CGCVVEAISA-N 333.391 2.709 30 40 EFEB N#Cc1cncc(N2C[C@H]3CC[C@H]2[C@H]2CN(Cc4ccccc4)C[C@@H]32)n1 585091418 GURSEAFPJAVQIY-GTAWCEEGSA-N 345.450 2.695 30 40 EFEB C=C(C)C[C@H](C)C(=O)N1CCN(C(=O)[C@@H](C)CC(=C)C)[C@H](C#N)C1 585127654 GLFFIQDZGJRXNR-YESZJQIVSA-N 331.460 2.754 30 40 EFEB CC(C)(C)c1cnc(CN2CCN(c3cc(C#N)ccn3)CC2)o1 96305473 RVOMNLHZSCKHQZ-UHFFFAOYSA-N 325.416 2.561 30 40 EFEB Cc1ncn(CC2CCN(Cc3ccc(C#N)cc3)CC2)c(=O)c1C 585632672 SFVLTRMUOUMSLT-UHFFFAOYSA-N 336.439 2.644 30 40 EFEB C=CCn1c(Cc2ccccc2)nnc1S[C@@H]1CCCCNC1=O 32786112 GKMSLVWMPNAPAM-OAHLLOKOSA-N 342.468 2.816 30 40 EFEB Cc1cc([N+](=O)[O-])ccc1NC(=O)CN(CC#N)Cc1ccccc1 102706915 MPEWCHJFMCKHFU-UHFFFAOYSA-N 338.367 2.868 30 40 EFEB C=CCNC(=O)[C@H]1CC(=O)N(CCCC)[C@@H]1c1ccc(OC)cc1 22689222 LDUHBHQFKSMIJZ-FUHWJXTLSA-N 330.428 2.687 30 40 EFEB N#Cc1ccc(CN(Cn2nccc2[N+](=O)[O-])CC(F)(F)F)cc1 54516522 WBEWCPCNZFZSLW-UHFFFAOYSA-N 339.277 2.685 30 40 EFEB COc1cccc(N2C[C@H](C(=O)N(CC#N)c3ccccc3)CC2=O)c1 58003675 GLAAHYXGVKAVRL-OAHLLOKOSA-N 349.390 2.605 30 40 EFEB C[C@@H]1c2cccn2CCN1CC(=O)Nc1sc2c(c1C#N)CCC2 58172485 GAOWSIUFBIECGX-GFCCVEGCSA-N 340.452 2.925 30 40 EFEB CN1C(=O)/C(=C2\C(=O)N(CCCC#N)c3ccccc32)SC1=S 8390712 KDHIPTXORCBEMZ-OUKQBFOZSA-N 343.433 2.538 30 40 EFEB CCOC(=O)c1c(/N=C(\O)N2CCN(CC)CC2)sc(C)c1C 82102978 LQFAQPAOLPINRB-UHFFFAOYSA-N 339.461 2.725 30 40 EFEB Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1cn[nH]n1 69533263 HDEXQVGXAQTLHW-UHFFFAOYSA-N 333.351 2.816 30 40 EFEB CN(Cc1ccc(C#N)cc1)C(=O)[C@H]1CCCCN1Cc1cccnc1 71893264 VRQKUKOIULCVLO-HXUWFJFHSA-N 348.450 2.966 30 40 EFEB CCc1nn(C[C@H](O)c2ccccc2Cl)c(=O)c(C#N)c1CC 71880162 ZMXSFBDKJAOVDU-INIZCTEOSA-N 331.803 2.627 30 40 EFEB C[C@@H](OC(=O)c1cccc(O)c1)C(=O)N(C)C1(C#N)CCCCC1 9752043 MPFGGHGGXKRJHE-CYBMUJFWSA-N 330.384 2.622 30 40 EFEB Cc1ccc(S(=O)(=O)[C@@H]2[C@@H](c3ccc(Cl)cc3)[C@@]2(N)C#N)cc1 218433067 RURPZEFAAXJVBA-ZACQAIPSSA-N 346.839 2.809 30 40 EFEB Cc1cc(C)c(C#N)c(S[C@H]2CCCN(c3cnn(C)c3)C2=O)n1 96424800 NILQVTGSPUJXSW-HNNXBMFYSA-N 341.440 2.591 30 40 EFEB CCOC(=O)c1cc(C)n(CC(=O)OCc2ccc(C#N)cc2)c1C 6586212 CMNWBTLBNMJCBH-UHFFFAOYSA-N 340.379 2.897 30 40 EFEB C=C(C)COc1cccc(NC(=O)C(=O)N(C)Cc2cc(C)on2)c1 67531220 VQUHDWYEPOZFHI-UHFFFAOYSA-N 343.383 2.535 30 40 EFEB N#CCCSC(=S)N1CCN(C(=S)SCCC#N)C1=O 1574745 ZVMFEXAPZSNWBI-UHFFFAOYSA-N 344.512 2.588 30 40 EFEB C/N=C1/S[C@H](CC(=O)Nc2cccc(Cl)c2Cl)C(=O)N1C 12540107 LSVNCGUAGDAWBD-IPTMZHPMSA-N 346.239 2.882 30 40 EFEB CCCNC(=O)[C@@H]1CN(Cc2ccc(C#N)cc2)c2ccccc2O1 12533764 ZEDOBZQRQWSIHQ-IBGZPJMESA-N 335.407 2.852 30 40 EFEB Cc1c([C@@H](C)NC(=O)CSCc2ccc(C#N)cc2)cnn1C 48124146 YAZJMKZUZDKMCG-GFCCVEGCSA-N 328.441 2.711 30 40 EFEB C=CCOC(=O)C1=C(C)NC(=S)N[C@H]1/C=C/c1ccccc1OC 28291243 GLPPTEYGISFJMF-HBWSCVEGSA-N 344.436 2.558 30 40 EFEB CN(C)/C(N)=N\CC1(c2cccc(C(F)(F)F)c2)CCOCC1 170910426 IOHHLWNSAKNOSS-UHFFFAOYSA-N 329.366 2.630 30 40 EFEB Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)NCc1ccc(Cl)cc1 6651234 QETAMIUESUHDTR-UHFFFAOYSA-N 343.814 2.766 30 40 EFEB COc1nc(N/N=C/c2cccc(Cl)c2)nc(N2CCCCC2)n1 408734820 FHLOFMTWKQPCLJ-WOJGMQOQSA-N 346.822 2.970 30 40 EFEB Cc1ccc2nc(C)c(C(=O)NCC3CCN(CC#N)CC3)cc2c1 76042130 RQNBUWXALZQUDG-UHFFFAOYSA-N 336.439 2.817 30 40 EFEB Cc1cnc2c(S(=O)(=O)/N=C(\O)C3CCOCC3)cccc2c1 95351155 ADGVNCBGAIDPBL-UHFFFAOYSA-N 334.397 2.615 30 40 EFEB Cc1nc(N2CCN(c3ccccc3[N+](=O)[O-])CC2)ccc1CC#N 89536943 RDFWMZDECCWTLM-UHFFFAOYSA-N 337.383 2.691 30 40 EFEB N#Cc1cc(F)c(C(F)(F)F)cc1N1CCC[C@H](CC(N)=O)C1 1548512029 UQMDNMLIKZSEAH-SECBINFHSA-N 329.297 2.808 30 40 EFEB CC(=O)/C(=C\N(C)C)c1nnnn1-c1ccc(-c2ccccc2)cc1 32227096 NGFCRONCQIEYMT-QGOAFFKASA-N 333.395 2.821 30 40 EFEB C#CCCCC(=O)N1CCC[C@@H](N2CCN(c3ccccc3)CC2)C1 521396383 SUDUSXGFXVDUEA-HXUWFJFHSA-N 339.483 2.603 30 40 EFEB Cn1ncc(C#N)c1NS(=O)(=O)c1ccc(Cl)c2ccccc12 195573224 CCIBBINDBWDHDY-UHFFFAOYSA-N 346.799 2.899 30 40 EFEB CCN(CC)/C(N)=N/C[C@@H]1CCCN(C)[C@H]1c1ccc(OC)cc1 253370522 RXQYSLUVPJWVFR-WMZOPIPTSA-N 332.492 2.735 30 40 EFEB C[C@]1(C#N)CCCN(C(=O)N[C@@H](C[C@H]2CCCO2)C(F)(F)F)C1 594174048 JNHGOXAWEUPRPL-MBNYWOFBSA-N 333.354 2.822 30 40 EFEB CC(C)(CNc1cccc(-n2cccc2)c1C#N)[C@@]1(O)CCOC1 603398764 QRFUBKZZQCXHNG-LJQANCHMSA-N 325.412 2.938 30 40 EFEB C=C1CC[C@H]2[C@](C)(CO)[C@@H](O)CC[C@]2(C)[C@H]1CCC1=CCOC1=O 5664622 GVRNTWSGBWPJGS-NDLGOLERSA-N 334.456 2.992 30 40 EFEB C=CCN1CCN([C@@H](CC(C)C)c2nnnn2C2CCCC2)CC1 19446799 BSRWEYGUHUFPCB-KRWDZBQOSA-N 332.496 2.679 30 40 EFEB O=C(O)c1cccc(N/N=C2/CCS(=O)(=O)c3ccc(F)cc32)c1 37130858 RXHIVZHMNKENEV-RGEXLXHISA-N 348.355 2.518 30 40 EFEB COc1ccccc1-c1nnc(SCc2ccc(C#N)cc2)n1N 3543207 MJCKUVJRBJNBDJ-UHFFFAOYSA-N 337.408 2.831 30 40 EFEB Cc1c(C#N)c(O)n(CCO)c(=O)c1/N=N/c1ccccc1Cl 108423563 HUVNSFGKMMSHPV-VHEBQXMUSA-N 332.747 2.795 30 40 EFEB CCOc1ccccc1NC(=O)[C@@H](C#N)C(=O)c1cccc(C#N)c1 103504691 PXRDJTKFDCTWGG-HNNXBMFYSA-N 333.347 2.918 30 40 EFEB C=CCCC(=O)N1CCC[C@@]2(CC1)CCN(Cc1cccnc1)C2=O 108530627 LCEUYGWESCXFPS-HXUWFJFHSA-N 341.455 2.779 30 40 EFEB CC(=O)N1CCc2cc(NC(=O)CNc3cccc(C#N)c3)ccc21 12591753 WHZKYTYMSOKKMN-UHFFFAOYSA-N 334.379 2.518 30 40 EFEB C=CCSCC(=O)NC1CCN(Cc2cccc(OC)c2)CC1 58380863 VYPQEYDNHCOCSG-UHFFFAOYSA-N 334.485 2.695 30 40 EFEB Cc1cccc(C)c1NC(=S)N/N=C/c1ccc(O)c(O)c1O 3260829 WVDNSWRCYLSIQW-CAOOACKPSA-N 331.397 2.741 30 40 EFEB Cc1cccc(NC(=O)Cc2noc(-c3cc(C#N)cn3C)n2)c1C 81533243 WYMROSNRXYATBB-UHFFFAOYSA-N 335.367 2.745 30 40 EFEB N#Cc1ccc(OCC(=O)Nc2ccc(N3CCCC3=O)cc2)cc1 8291238 IGEVQOSBYRWTIT-UHFFFAOYSA-N 335.363 2.703 30 40 EFEB C=CCNC(=O)CSc1cc(C(=O)NC2CC2)c2ccccc2n1 14095305 IKZZTHXFFDTCSZ-UHFFFAOYSA-N 341.436 2.521 30 40 EFEB CCOc1cc2c(cc1CNC(=O)N(C)C[C@H](C)C#N)O[C@H](C)C2 89991036 KKAXMSCLYQVPKZ-CHWSQXEVSA-N 331.416 2.710 30 40 EFEB Cc1cc([C@@H]2CCCN(C(=O)[C@H](C)Oc3cccc(C#N)c3)C2)n[nH]1 78902359 KEHRWTZFKYDCJH-GOEBONIOSA-N 338.411 2.763 30 40 EFEB C[C@@H]1O[C@H](C)[C@H](C(=O)NC2(c3cccc(C#N)c3)CCOCC2)[C@H]1C 529517115 GXPNNHMZQHUNDJ-OIPACUDHSA-N 342.439 2.740 30 40 EFEB C/N=C(/NCCc1ccc(C(F)(F)F)cc1)NCc1cc(C)no1 73763676 CQFDAUFJGGUUOF-UHFFFAOYSA-N 340.349 2.910 30 40 EFEB N#Cc1ccc(F)c(CNc2ccc(C(=O)NCCO)c(Cl)c2)c1 194345890 UFVTXVWDBKGUJR-UHFFFAOYSA-N 347.777 2.685 30 40 EFEB CC(C)N(C)C[C@H]1OC[C@@H]2CCN(Cc3cccc(C#N)c3)C[C@H]12 96185407 FQHAVMYAIIIKLO-SLFFLAALSA-N 327.472 2.735 30 40 EFEB CCCCOC1(NS(=O)(=O)c2ccccc2)C(C)=CC(=O)C=C1C 16807605 SMWGMLOLIOKRLZ-UHFFFAOYSA-N 349.452 2.953 30 40 EFEB N#Cc1ccc(N2C[C@H]3CCN(c4nccc5occc45)[C@H]3C2)nc1 1889179527 HGLXYXRAIGTFGN-ZBFHGGJFSA-N 331.379 2.810 30 40 EFEB COc1ccc(CCNC(=O)c2ccc(C#CC(C)(C)O)s2)cc1 610261 QNSDNKSTJJSCKC-UHFFFAOYSA-N 343.448 2.852 30 40 EFEB C=CCn1c(=O)c(C(=O)NCc2cccs2)c(O)c2ccccc21 101253673 GWYBJLFKRPYHCY-UHFFFAOYSA-N 340.404 2.885 30 40 EFEB COC(=O)c1cc(OC)c(OC)cc1NC(=O)C1(C#N)CCCC1 12569130 GLMLJKYRJRCZMO-UHFFFAOYSA-N 332.356 2.513 30 40 EFEB N#Cc1cccc(CNCc2cccc(NC(=O)[C@H]3CCCO3)c2)c1 58030878 NYFIAGOULHIDFJ-LJQANCHMSA-N 335.407 2.966 30 40 EFEB CN(C)C(=O)COc1ccc(C(=O)/C=C/c2ccc(C#N)cc2)cc1 5127688 KLLREZWWMIMPIX-KPKJPENVSA-N 334.375 2.921 30 40 EFEB Cc1oncc1C(=O)Nc1ccc(NC(=O)c2ccc(C#N)cn2)cc1 71886397 UTFHULBIEXCZFR-UHFFFAOYSA-N 347.334 2.754 30 40 EFEB C/N=C(/NCC1(C)COC1)N[C@H](C)c1ccc(OCC2CC2)c(F)c1 97021979 MLUMGMRCYGHHSV-CYBMUJFWSA-N 349.450 2.877 30 40 EFEB CCc1noc(C)c1NC(=O)N1CC(Oc2ccc(C#N)cc2)C1 97142025 LLUMGMRINWEFBF-UHFFFAOYSA-N 326.356 2.712 30 40 EFEB Cc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(C#N)cc3)C2=O)cc1C 408854389 DOOLVXOHWPUNAX-LICLKQGHSA-N 345.358 2.842 30 40 EFEB COc1cccc(S(=O)(=O)/N=C(\O)[C@@](C)(OC)c2ccccc2)c1 78611969 JJWLKUUVCAXFSK-KRWDZBQOSA-N 349.408 2.902 30 40 EFEB CC[C@@H](C(=O)N1CC[C@H](Oc2nccnc2C#N)C1)c1ccccc1 225799470 YZLAFGUPZICFSZ-JKSUJKDBSA-N 336.395 2.522 30 40 EFEB COc1ccc([C@@H]2C(C(C)=O)=C(O)C(=O)N2c2ccc(O)cc2)cc1 81601 WTRHMOSBUFSMIX-QGZVFWFLSA-N 339.347 2.890 30 40 EFEB CCc1nc(C#N)c(NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)o1 27991071 ZFAATRFGEKAWFQ-INIZCTEOSA-N 327.432 2.889 30 40 EFEB O/C(=N\c1nc(-c2ccccn2)n[nH]1)[C@@H]1CC(c2ccccc2)=NO1 58407208 IOZODTNLMXBOAG-AWEZNQCLSA-N 334.339 2.648 30 40 EFEB COC(=O)c1ccc(/C=N/OCC(=O)N[C@@H]2CCC[C@@H](C)[C@@H]2C)cc1 13139973 YZJSIJDZAWLCQD-VAJPYINFSA-N 346.427 2.765 30 40 EFEB O=[N+]([O-])c1cccnc1N/N=C/c1ccc(O)c(Br)c1 4675476 GYNVGHCZWFUYRU-VIZOYTHASA-N 337.133 2.904 30 40 EFEB Cc1nc2n(n1)C[C@@H](Nc1ccc(Br)cc1C#N)CC2 96008447 PYEUBUNDCOWMBR-LBPRGKRZSA-N 332.205 2.648 30 40 EFEB C[C@H](CNc1ccc(C(F)(F)F)c(C#N)c1)N1CCN(C)CC1 97144766 UQNVXVZAPYQUEO-GFCCVEGCSA-N 326.366 2.625 30 40 EFEB C=CCN/C(=N/Cc1cccs1)NCCCN1CCCCCC1=O 75583364 UVQRYHNOAPNQQM-UHFFFAOYSA-N 348.516 2.762 30 40 EFEB CC(C)C(=O)N1CCC(=NOCc2cn3ccccc3c2C#N)CC1 89125392 UYSFHIRJKKHBTA-UHFFFAOYSA-N 338.411 2.962 30 40 EFEB C#CCOc1ccc(F)cc1NC(=O)NCc1csc(NC)n1 79062876 NXEFTFISWPILPC-UHFFFAOYSA-N 334.376 2.658 30 40 EFEB C[C@@H]1CCCN(/C(N)=N\C[C@@H](C)c2nc(-c3ccccc3)no2)C1 89595483 QEFLDGUHSKTVSB-ZIAGYGMSSA-N 327.432 2.887 30 40 EFEB CN(c1nccs1)S(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1 548836498 NBCFEVFUVNGOAS-UHFFFAOYSA-N 347.343 2.859 30 40 EFEB Cc1ccc(S(=O)(=O)[C@@H]2[C@@H](c3cccc(Cl)c3)[C@@]2(N)C#N)cc1 218429192 ZCRDMPIUWDAAEE-ZACQAIPSSA-N 346.839 2.809 30 40 EFEB CCn1nncc1/C(O)=N/C[C@@H]1CCCN(C)[C@H]1c1cccs1 328832820 KWOLJEDHOYYRNU-SWLSCSKDSA-N 333.461 2.747 30 40 EFEB O=C1[C@H]2[C@@H]3C=C[C@@H]([C@@H]2C(=O)N1/N=C/c1ccc(Cl)cc1)[C@@H]1C[C@H]31 222250601 RJMHKOAACSZNAE-VRDRZIRSSA-N 326.783 2.727 30 40 EFEB CCc1ccc([C@@H]2[C@@H](S(=O)(=O)c3ccccc3)[C@@]2(C#N)CO)cc1 225653669 SQRPMXADNHPHRZ-QRVBRYPASA-N 341.432 2.691 30 40 EFEB C/C(O)=N/S(=O)(=O)Cc1ccc(Cl)cc1Br 96487462 KDEHBUXLHJFPBL-UHFFFAOYSA-N 326.599 2.909 30 40 EFEB N#Cc1sccc1S(=O)(=O)N[C@H]1C[C@H](Oc2ccccc2)C1 585091911 FVGVYGKMNWDJGP-AULYBMBSSA-N 334.422 2.508 30 40 EFEB COc1ccc(-c2nnc(S)n2/N=C\c2cccc(O)c2)cc1 5880213 ZDPYAXBRLKWXKA-YVLHZVERSA-N 326.381 2.830 30 40 EFEB N#Cc1cccc(NC(=O)CSc2nc3ccccc3c(=O)[nH]2)c1 12360246 BUBOGXXHLZNYJB-UHFFFAOYSA-N 336.376 2.526 30 40 EFEB biogenic,in-vitro Cc1cnc(N(C)[C@H]2CCCN(Cc3ccc(C#N)cc3F)C2)nc1 1889119555 BTTPEZOWHREIBT-KRWDZBQOSA-N 339.418 2.897 30 40 EFEB C=CCN1CCOCC2(CCN(C(=O)[C@]3(C)CC=CCC3)CC2)C1 1565547192 OQMPNPSPSNMPAV-LJQANCHMSA-N 332.488 2.860 30 40 EFEB COc1cccc(CN2[C@H]3C=CC(=O)[C@H]2[C@@H](C(=O)OC(C)(C)C)C3)c1 100019348 XHKRZZKPVOIIPD-QILLFSRXSA-N 343.423 2.735 30 40 EFEB Cc1nc(-c2ccccc2)nc(SCCN2CCOCC2)c1C#N 20590639 POKZFJUTDGRTGB-UHFFFAOYSA-N 340.452 2.748 30 40 EFEB C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](CNCC(OC)OC)[C@H]3C[C@H]12 12659873 QLQWTPOKMDDMPR-PPLBCVRQSA-N 337.460 2.509 30 40 EFEB biogenic C[C@H](Oc1ccc(C#N)cc1)C(=O)Nc1ccc(C(=O)NC2CC2)cc1 12911756 JSLISPAOEDJQEU-ZDUSSCGKSA-N 349.390 2.856 30 40 EFEB C[C@@H](Oc1ccccc1C(F)(F)F)C(=O)Nc1nc(C#N)c(C#N)[nH]1 69559958 JFWWENJCLQGVLU-MRVPVSSYSA-N 349.272 2.578 30 40 EFEB N#Cc1nc(COc2ccc(F)cc2)oc1NCCCn1ccnc1 17440271 LZHVIPISAHVSNV-UHFFFAOYSA-N 341.346 2.963 30 40 EFEB O=[N+]([O-])c1ccccc1N/N=C/c1ccc(N2CCOCC2)cc1 5163125 PHDLCZMXGMWYIR-QGOAFFKASA-N 326.356 2.877 30 40 EFEB CCc1nc(SCC(=O)Nc2ccc(C)cc2C)[nH]c(=O)c1C#N 5238935 ITMLSSUDUPLONC-UHFFFAOYSA-N 342.424 2.552 30 40 EFEB CC(=O)Nc1ccc(S(=O)(=O)N/N=C/C(C)=C/c2ccco2)cc1 5725152 SLDZSJYFKRILOH-SVSXJNCISA-N 347.396 2.606 30 40 EFEB CCOC(=O)c1cc(C#N)c(SCC(=O)NC2CCCC2)nc1C 7149905 RKSJMTRPUHNDIZ-UHFFFAOYSA-N 347.440 2.589 30 40 EFEB Cc1noc(C)c1CCC(=O)O[C@@H](C)C(=O)Nc1ccc(C#N)cc1 7147072 BNIOWOHOEUNQBL-ZDUSSCGKSA-N 341.367 2.666 30 40 EFEB C[C@@H](Oc1cccc(C#N)c1)C(=O)NCc1cccc(-n2cccn2)c1 71910054 UMAUYTLBFNHDNW-OAHLLOKOSA-N 346.390 2.828 30 40 EFEB Cc1cc(C#N)ccc1S(=O)(=O)Nc1nnc(C(C)(C)C)s1 83956272 LAJLCFUDTZODRD-UHFFFAOYSA-N 336.442 2.817 30 40 EFEB N/C(=N/Cc1cccc(COCC(F)(F)F)c1)N1CCSCC1 97020586 OVVRMCJTUZRRDC-UHFFFAOYSA-N 347.406 2.629 30 40 EFEB CCN(Cc1ccccc1)S(=O)(=O)/N=C(\O)CCOC(C)C 95351500 YMZDCJGONJPPDF-UHFFFAOYSA-N 328.434 2.525 30 40 EFEB Cc1c(/N=C/c2cn(CC(N)=O)c3ccccc23)cccc1C(=O)O 409386686 WRNUWSYIHFITNB-ZVBGSRNCSA-N 335.363 2.884 30 40 EFEB Cc1ccc(NS(=O)(=O)c2ccc(C#N)cc2)c(CN(C)C)c1 73314483 ITVGAXMOPQYZBV-UHFFFAOYSA-N 329.425 2.729 30 40 EFEB C=CCc1cc(/C=C2\C(=N)N3OC(C)=CC3=NC2=O)cc(OC)c1O 41078530 RCXHLDQMCUASJP-RIWVEWFESA-N 339.351 2.580 30 40 EFEB CCNC(=S)N/N=C\c1ccc(-c2ccc([N+](=O)[O-])cc2C)o1 83260758 HJFRUAPTWNROAI-MFOYZWKCSA-N 332.385 2.981 30 40 EFEB C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N1CCO[C@H](c2ccc(F)cc2)C1 281785376 KVZBSLHQRPEQPR-NJAFHUGGSA-N 348.418 2.890 30 40 EFEB N#Cc1ccc(NC(=O)CNc2ccc(C(N)=O)c(F)c2)cc1Cl 58297699 QKEBVBGZLMLCNY-UHFFFAOYSA-N 346.749 2.500 30 40 EFEB CCC(=O)OCOc1ccc(/C=C2\CC[C@@H](CN(C)C)C2=O)cc1 1625854 SMDDTKYJMPEYDY-SFKKXYGYSA-N 331.412 2.900 30 40 EFEB Cc1ccc(/C=C/C(=O)N2CCN(c3cc(C#N)ccn3)CC2)s1 30943104 SAXUPWREBCRXKF-SNAWJCMRSA-N 338.436 2.685 30 40 EFEB COc1ccc(/C=N/Nc2nc3ccccc3n3cnnc23)c(OC)c1 4952815 MMBLAZWDOOJIQQ-VXLYETTFSA-N 348.366 2.741 30 40 EFEB N#Cc1cccc(N[C@@H]2CC(=O)N(c3ccccc3Cl)C2=O)c1 102441092 NGJGWEKCVLQUNZ-CQSZACIVSA-N 325.755 2.956 30 40 EFEB CC(=O)c1ccc(S(=O)(=O)/N=C(\O)CSCC(C)C)cc1 48473004 SURCFJNSVNLOST-UHFFFAOYSA-N 329.443 2.924 30 40 EFEB C=CCN(C)C(=O)N[C@@H](C)c1cc(F)ccc1N1CCN(CC)CC1 119066649 QNTLFBHVRBDAFA-HNNXBMFYSA-N 348.466 2.856 30 40 EFEB CC(=O)N1CCC[C@H]1[C@H]1CCCN1Cc1cn2ccccc2c1C#N 71880923 ITDUWOIOHTYXTD-UXHICEINSA-N 336.439 2.786 30 40 EFEB Cc1ccc(C(=O)NC2CCN(c3ccc(Cl)c(C#N)n3)CC2)o1 71857349 DNUWUAATVHSVGF-UHFFFAOYSA-N 344.802 2.907 30 40 EFEB CCOc1ccc(C/C(O)=N/S(=O)(=O)c2c(C)noc2C)cc1 84807987 VGRPHHVLCGZEEW-UHFFFAOYSA-N 338.385 2.578 30 40 EFEB COc1ccc([C@@H]2[C@H](C=O)[C@@H]2S(=O)(=O)c2ccc(C)cc2)cc1 218115287 HNVVXYXHMCZPPI-KSZLIROESA-N 330.405 2.758 30 40 EFEB CC(=O)/C=C/c1cn(CCC(=O)O)nc1-c1ccc([N+](=O)[O-])cc1 72238816 CWKJIQXRHVASMO-NSCUHMNNSA-N 329.312 2.535 30 40 EFEB C=CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1)C(C)=O 223045263 YDLAEWUEKINTAP-HXUWFJFHSA-N 336.435 2.949 30 40 EFEB C=C(Br)CN1CCC[C@H](C(=O)Nc2ncccc2C)C1 95432161 VSCDBWUYOUINQP-ZDUSSCGKSA-N 338.249 2.949 30 40 EFEB Cc1ccc(CC(=O)N2CCN([C@H](C#N)c3ccccc3)CC2)cc1O 97379013 SVEHQJWXKSCOBX-LJQANCHMSA-N 349.434 2.652 30 40 EFEB C=CCNC(=S)N/N=C/c1c(C)nn(-c2ccccc2)c1Cl 6184336 VGPYKHMKGPAPAC-VCHYOVAHSA-N 333.848 2.818 30 40 EFEB N#Cc1ccnc(O[C@H]2CCCN(C(=O)NCc3cccs3)C2)c1 575613709 SHZQBPZNFKGJCO-AWEZNQCLSA-N 342.424 2.768 30 40 EFEB C[C@@H](OC(=O)CCOc1ccccc1)C(=O)Nc1sccc1C#N 7130076 TVGUPYAZGDZRFW-GFCCVEGCSA-N 344.392 2.959 30 40 EFEB CNC(=O)[C@@H](C#N)C(=O)c1ccc(-c2cc(F)c(F)c(F)c2)cc1 101372594 FQPTZRPYQQOFNO-LBPRGKRZSA-N 332.281 2.839 30 40 EFEB CCc1ccc(C(=O)/C=C\Nc2ccc(S(N)(=O)=O)cc2)cc1 100159650 AYFKNUPDLFJYFJ-QXMHVHEDSA-N 330.409 2.705 30 40 EFEB COc1ccc(CN/N=C/c2ccccc2OCC#N)cc1OC 20195688 UBNJCRUYVZNIQE-FYJGNVAPSA-N 325.368 2.730 30 40 EFEB C=CCn1c(SCc2noc(CC)n2)nc2sccc2c1=O 52888942 LWAZPABNWLPVSC-UHFFFAOYSA-N 334.426 2.882 30 40 EFEB C=CCOc1ccc(C(=O)N2CCC[C@H]2[C@@H]2CCCN2C)cc1OC 69632824 DHSAAURSJSQJBG-IRXDYDNUSA-N 344.455 2.959 30 40 EFEB C=CCCC(=O)N1CCN(Cc2nc(-c3ccc(C)cc3)no2)CC1 69416726 AAWYRWZEIWYDEN-UHFFFAOYSA-N 340.427 2.655 30 40 EFEB Cn1cc(/C=N/NC(=S)Nc2cccc(C(F)(F)F)c2)cn1 7785429 RLGMNVHSTZNMNL-UBKPWBPPSA-N 327.335 2.759 30 40 EFEB COc1ccc(C#N)cc1NC(=O)NC[C@@H](O)c1ccccc1F 64743565 YOTBKZMILBKILN-OAHLLOKOSA-N 329.331 2.561 30 40 EFEB Cc1cc(C)nc(SCC(=O)N[C@H](C#N)c2ccc(F)cc2F)n1 65542679 LQUGNTCRXHQIEI-CQSZACIVSA-N 348.378 2.845 30 40 EFEB C#CCOc1c(Cl)cc([C@@H]2N[C@H](C(=O)O)CS2)cc1OCC 408816496 TZTGFSYHILMSKS-SMDDNHRTSA-N 341.816 2.539 30 40 EFEB N#CC1(NC(=O)c2ccc3c(c2)C[C@@H](c2ccccc2)OC3=O)CC1 96414452 GXLLYDJHKIWYJB-KRWDZBQOSA-N 332.359 2.927 30 40 EFEB N#Cc1ccccc1/C=C/C(=O)N1CCN(c2cccc(O)c2)CC1 95469841 XBMSKICQNZDJLT-CMDGGOBGSA-N 333.391 2.626 30 40 EFEB NC(O)=C1C=CC(=NS(=O)(=O)c2ccc3ccccc3c2)C=C1 409415724 FQUIMESBQSZOSY-UHFFFAOYSA-N 326.377 2.824 30 40 EFEB C[C@H](c1cccc(C#N)c1)N1CCN(CCO[C@H]2CCCCO2)CC1 225531897 PGVPDUWMMAECOX-XLIONFOSSA-N 343.471 2.780 30 40 EFEB C=CCN1CCC[C@@]12CCCN(S(=O)(=O)c1ccc(C)cc1)C2 96214807 VYXJQAAUXVZXLO-SFHVURJKSA-N 334.485 2.800 30 40 EFEB N#Cc1cccc(N[C@@H]2CO[C@@]3(CCCN(Cc4ccncc4)C3)C2)n1 96048323 ZNLYYYAVMFWZJG-ICSRJNTNSA-N 349.438 2.584 30 40 EFEB C#Cc1cc(F)c(NS(=O)(=O)c2cn(CC(C)C)cn2)c(F)c1 96501013 PFZKQBRCTWKRME-UHFFFAOYSA-N 339.367 2.599 30 40 EFEB N#C[C@@H](C(=O)CCc1ccccc1F)c1nnc2n1CCCCC2 58281051 BVFOESDJTVEKCL-AWEZNQCLSA-N 326.375 2.953 30 40 EFEB COc1cccc(OC)c1C(=O)NC(=S)Nc1ccccc1C#N 559764 ZKCYVBJVVORDQB-UHFFFAOYSA-N 341.392 2.702 30 40 EFEB Cc1ccc(C(=O)N[C@]2(C#N)CCSC2)cc1Br 78974305 QULDXYDTEJIIMC-ZDUSSCGKSA-N 325.231 2.887 30 40 EFEB C=CCN(Cc1ccc(OC)cc1)C(=O)CNC(=O)c1ccoc1C 58250678 ZLNLAMSXLWXFKF-UHFFFAOYSA-N 342.395 2.541 30 40 EFEB CC(=O)N1CCc2cc(N[C@@H](C)C(=O)Nc3ccc(C#N)cc3)ccc21 12561972 DGFMTAUQXCACEV-ZDUSSCGKSA-N 348.406 2.906 30 40 EFEB Cn1cc(-c2nc(C(=O)[C@@H](C#N)c3nc4ccccc4[nH]3)cs2)cn1 48813641 IEABOJSNYPYODP-LLVKDONJSA-N 348.391 2.910 30 40 EFEB O=[N+]([O-])c1cc(/C=N/c2ccc3[nH]ncc3c2)c(O)c([N+](=O)[O-])c1 4473515 QLLDQSUGDVREJS-GIDUJCDVSA-N 327.256 2.836 30 40 EFEB C=CCOc1ccc(C(=O)Nc2ccc(-c3noc(=O)[nH]3)cc2)cc1 65594617 CNBHQRHQLWABLU-UHFFFAOYSA-N 337.335 2.847 30 40 EFEB COc1ccc(OC)c(CNC(=O)Nc2cc(OC)ccc2C#N)c1 83925571 ILUDAJNGYNNEMR-UHFFFAOYSA-N 341.367 2.906 30 40 EFEB Cc1ccc(F)cc1NC(=O)CCc1c(C)[nH]c(=O)c(C#N)c1C 7942960 FNDFFEBYCLLQHE-UHFFFAOYSA-N 327.359 2.882 30 40 EFEB N#Cc1ccc(S(=O)(=O)NC(=O)c2sccc2C2CC2)cc1 69776358 CZEJYENZQFYPFA-UHFFFAOYSA-N 332.406 2.616 30 40 EFEB CCCC(=O)NC1=C(C(=O)OCC)C(=O)/C(=C/c2ccco2)S1 409080335 NDTKNNBCOKCNQR-LUAWRHEFSA-N 335.381 2.627 30 40 EFEB CCOc1ncc(Br)cc1B1OC(C)(C)C(C)(C)O1 642814678 QTJSJTOSKWPAJU-UHFFFAOYSA-N 328.015 2.542 30 40 EFEB COc1ccc(S(=O)(=O)O/N=C2\C=C(C)C(=O)C=C2C(C)C)cc1 5950343 COBLPRIAJVWWSQ-FBMGVBCBSA-N 349.408 2.868 30 40 EFEB Cc1ccccc1-c1nc(C#N)c(NCCCN2CCOCC2)o1 20149845 AKMSZZVOMUSLAO-UHFFFAOYSA-N 326.400 2.656 30 40 EFEB COc1ccccc1[C@@H](C#N)NC(=O)c1cc(Br)cn1C 79996281 CSMKXUITHQZHLZ-GFCCVEGCSA-N 348.200 2.791 30 40 EFEB N#Cc1cccc(C(=O)N2C[C@H]3CC[C@H]2[C@H]3OCc2ccccn2)c1 107806852 KVQOVENHLASOLB-NEWSRXKRSA-N 333.391 2.773 30 40 EFEB O=S(=O)(/N=C(\O)[C@H]1C[C@@H]1c1ccccc1F)N1CCCCC1 84502103 IONAOWGXQDDYRR-OLZOCXBDSA-N 326.393 2.616 30 40 EFEB C=C(C)C[C@@H]1N(c2ccc(F)cc2)C(=O)[C@H]2[C@@H](C(=O)O)[C@H]3C=C[C@@]21O3 100223707 WOALJGRKQHMPHP-TVEAVKIZSA-N 343.354 2.532 30 40 EFEB C[C@H](Sc1nc(-c2ccc(Cl)cc2)c(C#N)c(=O)[nH]1)C(=O)O 4226867 FGDVFACPAXCSFV-ZETCQYMHSA-N 335.772 2.527 30 40 EFEB CC(C)(C)n1cc(/C=C/C(=O)c2ccc(NS(C)(=O)=O)cc2)cn1 65606661 SQQPLDGKGFIPGF-BJMVGYQFSA-N 347.440 2.906 30 40 EFEB COc1cccc([C@H]2C3=C(Nc4ncnn42)c2ccccc2C3=O)c1 5451037 WGFUNKALDDOXAE-KRWDZBQOSA-N 330.347 2.909 30 40 EFEB C[C@@]1(c2cc(F)ccc2F)NC(=O)N(Cc2ccccc2C#N)C1=O 7007094 YIEPOGXGVSVVFV-SFHVURJKSA-N 341.317 2.804 30 40 EFEB CC(=O)Nc1ccc(/C=C/C(=O)c2ccc3c(c2)NC(=O)CO3)cc1 7333650 MZOWOEOUZMIVBS-XBXARRHUSA-N 336.347 2.872 30 40 EFEB CC/N=C(/NCCc1csc(C)n1)NCc1ccccc1OC 95959574 AWNBKTCGENZFEB-UHFFFAOYSA-N 332.473 2.758 30 40 EFEB C[C@@H]1CCCCN1CCOc1ccccc1C(=O)N(C)CCC#N 69622023 BZTNDHAWNYBOLL-MRXNPFEDSA-N 329.444 2.925 30 40 EFEB N#Cc1cccnc1N1CCCN(C(=O)CC(C2CC2)C2CC2)CC1 65523738 HFVVIBKCTWEUML-UHFFFAOYSA-N 338.455 2.818 30 40 EFEB C=CCCO[C@@H](C)/C(O)=N/S(=O)(=O)c1ccc(C#N)c(Cl)c1 78612371 ZIPKQGQTNOLHLM-JTQLQIEISA-N 342.804 2.838 30 40 EFEB N#CCCn1ccc(N[C@H]2CCN(c3ccc(F)c(Cl)c3)C2=O)n1 96494479 DVQSWDLZQJYQCR-AWEZNQCLSA-N 347.781 2.807 30 40 EFEB CCN(CC)C[C@H]1CN(Cc2cccc(C#N)c2)Cc2nccn2C1 96066912 NOKHQGFXXSAIMO-IBGZPJMESA-N 337.471 2.729 30 40 EFEB C=CCN1CCC[C@]12CCCN(S(=O)(=O)c1ccc(C)cc1)C2 96214806 VYXJQAAUXVZXLO-GOSISDBHSA-N 334.485 2.800 30 40 EFEB Cc1cc(C(=O)NCc2ccc(C#N)cc2F)ccc1-n1cncn1 96426434 RRPYCVUODXZOEU-UHFFFAOYSA-N 335.342 2.517 30 40 EFEB N#C[C@]1(C=O)[C@@H](c2cccc(Cl)c2)[C@H]1S(=O)(=O)c1ccccc1 252515421 JRXUQBLTUKNJPY-BBWFWOEESA-N 345.807 2.989 30 40 EFEB N#Cc1cccc(C(=O)N[C@H](CN2CCCC2=O)c2ccccc2)c1 48956110 YLJXRMNCVXWXFZ-GOSISDBHSA-N 333.391 2.652 30 40 EFEB CC1(C)CC(=O)C(=CNC(=S)NCCc2ccccc2)C(=O)C1 5734412 DZTAFUBGXVXVPQ-UHFFFAOYSA-N 330.453 2.535 30 40 EFEB C=CCN1C(=O)C(O)=C(C(=O)C2CC2)[C@H]1c1ccc(OC)c(OC)c1 16890221 QLYAFUDSXZFHGC-MRXNPFEDSA-N 343.379 2.564 30 40 EFEB N#Cc1ccc(OCCOC(=O)c2cc3ccccc3c(=O)[nH]2)cc1 21591306 LWXVCIBOVSIFTO-UHFFFAOYSA-N 334.331 2.636 30 40 EFEB Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N1C[C@@H](C)C[C@@H](C)C1 24962560 DJQVRQRSMAMAAM-BETUJISGSA-N 339.443 2.655 30 40 EFEB CC(=O)Nc1ccc(S(=O)(=O)N/N=C(/C)c2ccc(C)cc2)cc1 8612770 RBAWGWZPLCMLNX-UYRXBGFRSA-N 345.424 2.656 30 40 EFEB CC1(C)C(=O)Nc2ccccc2N1C(=O)COc1ccccc1C#N 2655832 TYKLWIXRVGFOMD-UHFFFAOYSA-N 335.363 2.701 30 40 EFEB C=CCN(Cc1nc2cc(OC)c(OC)cc2c(=O)[nH]1)C1CCCC1 53316623 PWZLRUVVVWSGKW-UHFFFAOYSA-N 343.427 2.871 30 40 EFEB N#Cc1ccc(NCC(=O)Nc2ccccc2Br)nc1 24529043 FUCKRFTUGPPMDC-UHFFFAOYSA-N 331.173 2.766 30 40 EFEB C#CCOc1ccc(CCNC(=O)c2cc(=O)c3ccccc3[nH]2)cc1 69453291 FSOCWZQVROQHAF-UHFFFAOYSA-N 346.386 2.513 30 40 EFEB NC(=S)N/N=C/c1ccc2cccc(OCc3ccccc3)c2n1 13109041 IMMYLTTYFWGHBS-RGVLZGJSSA-N 336.420 2.981 30 40 EFEB C#CCn1cc(CN(C)Cc2cnn(-c3ccc(Cl)cc3)c2)cn1 92039211 FXWDYBJPJSJVNM-UHFFFAOYSA-N 339.830 2.987 30 40 EFEB COC(=O)c1cc(OC)c(OC)cc1NC(=O)c1ccc(C#N)cc1 5578923 VZPWFCDEFXXLBS-UHFFFAOYSA-N 340.335 2.614 30 40 EFEB Cc1ccc(N2C(=O)NC(=O)[C@@H](C=Nc3cccc(C)c3)C2=O)cc1 408526593 FGHQVYGCWBXTCM-MRXNPFEDSA-N 335.363 2.905 30 40 EFEB C=CCO[C@@H](C)C(=O)Nc1cccc(NC(=O)[C@@H](C)n2cccn2)c1 71831405 DZVZQVYUPBJFKU-KGLIPLIRSA-N 342.399 2.612 30 40 EFEB CCOc1cc2c(cc1CNC(=O)N(C)C[C@@H](C)C#N)O[C@@H](C)C2 89991037 KKAXMSCLYQVPKZ-STQMWFEESA-N 331.416 2.710 30 40 EFEB COc1cccc(S(=O)(=O)/N=C(\O)c2scnc2C2CC2)c1 89968012 WRLNIQUPNQWOGS-UHFFFAOYSA-N 338.410 2.723 30 40 EFEB C/N=C(/NCc1ccc(C)nc1OC)NC[C@H]1CCO[C@@H]1C(C)(C)C 95963213 AHCRSNVMLYAVBA-ZBFHGGJFSA-N 348.491 2.515 30 40 EFEB CC/N=C(/NCc1nnc2n1CCCCC2)N(C)Cc1cccs1 95959586 VPKORQAGCPWLDU-UHFFFAOYSA-N 346.504 2.664 30 40 EFEB C=CCn1cc(/C=C2/SC(=O)N(CC(=O)O)C2=O)c2ccccc21 409126842 PKKVJBVKQRZBLO-RIYZIHGNSA-N 342.376 2.948 30 40 EFEB N#Cc1cc(N)ccc1N1CCN(C(=O)c2cc3ccccc3o2)CC1 70462126 NBUWMZPFIOJYFX-UHFFFAOYSA-N 346.390 2.849 30 40 EFEB N#Cc1cccc(N[C@H]2CO[C@]3(CCCN(Cc4cccnc4)C3)C2)n1 96048316 WXLMDHRJKZPTAJ-UYAOXDASSA-N 349.438 2.584 30 40 EFEB O=C(O)C[C@H](S/C(=N/[C@H]1C=CCCC1)N1CCCCC1)C(=O)O 5290053 ISEWGGUUYPUOIZ-NOTNZGAASA-N 340.445 2.598 30 40 EFEB CC(C)n1c(=O)[nH]c2ccccc2/c1=N\C(=O)Nc1ccccc1C#N 101113588 LEZYVGYUHAIQFX-HAVVHWLPSA-N 347.378 2.915 30 40 EFEB CCOc1ccc([C@H]2C(C(C)=O)=C(C)Nc3ncnn32)cc1OC 147741 VYFCOXZGLXMQNV-INIZCTEOSA-N 328.372 2.563 30 40 EFEB COCCN1C(=O)C(=O)/C(=C(/O)c2ccco2)[C@H]1c1ccc(C)cc1 102504657 KMCKSWWGYRKHJQ-IBOXJLQUSA-N 341.363 2.656 30 40 EFEB CC(C)OCc1ccccc1CNS(=O)(=O)c1ccc(C#N)cc1 28043700 QKXSDVNJYBOTKN-UHFFFAOYSA-N 344.436 2.962 30 40 EFEB C[C@@H]1C(c2ccc(F)cc2)=[N+]([O-])[C@](C)(C(=O)c2ccccc2)N1O 3904791 FYCWPWVYFWSEQI-KZULUSFZSA-N 328.343 2.818 30 40 EFEB C[C@H](CCc1ccco1)NC(=O)c1ccc(-n2ncc(C#N)c2N)cc1 65594362 DLWWWPPEHQZESG-CYBMUJFWSA-N 349.394 2.670 30 40 EFEB Cc1nn(C)c(C)c1[C@@H](OC(=O)c1cc(C#N)cn1C)C(F)(F)F 89505667 RUUUIODHCXSFJT-CYBMUJFWSA-N 340.305 2.708 30 40 EFEB C[C@]12C[C@@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@]21OCC1=O 118917801 KVTUNQQLGNXYMG-IJKQGUKSSA-N 344.451 2.827 30 40 EFEB CC1=C/C(=N\NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC(C)(C)C1 16890105 WQVJFQXHHQHFRS-FOWTUZBSSA-N 337.401 2.995 30 40 EFEB COC(=O)/C(=C/C(=O)c1ccccc1)Nc1ccc(C(=O)O)cc1 100249055 XQBAJOZGEDGJQN-PTNGSMBKSA-N 325.320 2.737 30 40 EFEB O=C1CS/C(=N/S(=O)(=O)c2cccs2)N1c1ccccc1 100895861 MYTSLQIBXCKOQB-BUHFOSPRSA-N 338.435 2.573 30 40 EFEB COc1cccc([C@H]2O[C@]3(C)OC(=N)[C@]2(C#N)C(C#N)(C#N)[C@@H]3C)c1 101034805 NTIDUYYKZFRVAA-USJGZYJXSA-N 336.351 2.670 30 40 EFEB C[C@]12C=CC(=O)C=C1CC[C@@H]1[C@@H]3CCC(=O)O[C@]3(C)C[C@H](O)[C@]12F 104062277 XUYWZQUKJIPOPA-ALPWCWDASA-N 334.387 2.653 30 40 EFEB CCCCCCCCCNC(=O)C(=O)NCc1ccc2c(c1)OCO2 105453669 GIAWAEOORXAYAY-UHFFFAOYSA-N 348.443 2.898 30 40 EFEB COc1ccccc1[C@@H](C)CNS(=O)(=O)Cc1cccc(C#N)c1 70009178 GEMIKLIZVYIXTA-AWEZNQCLSA-N 344.436 2.790 30 40 EFEB N#Cc1ccc(NC[C@H]2CCN(CCOc3ccccc3C#N)C2)nc1 65502570 FVUCBJVDWUWWGA-QGZVFWFLSA-N 347.422 2.638 30 40 EFEB N#CC1(NC(=O)[C@H]2CCCc3ccccc32)CCC2(CC1)OCCO2 69902669 WRCQHSSFNKBFQZ-KRWDZBQOSA-N 340.423 2.802 30 40 EFEB CCOC(=O)c1cccc(-n2c(C)cc(/C=N/n3cnnc3)c2C)c1 408963676 ABQZKXUPYWVJDZ-UFFVCSGVSA-N 337.383 2.745 30 40 EFEB C=CCN1C(=O)N/C(=C/c2cc(C)n(-c3cc(C)ccn3)c2C)C1=O 409135543 ZAZMXOLOKBKHDZ-LFIBNONCSA-N 336.395 2.876 30 40 EFEB C[C@H](NCc1ccc(F)c(C#N)c1)c1cccc(NS(C)(=O)=O)c1 119043090 MQTGIFWQEMNPML-LBPRGKRZSA-N 347.415 2.920 30 40 EFEB C=CCc1cc(/C=N/O)cc(OC)c1OS(=O)(=O)c1ccccc1 409076175 ZBMAMTVSTWGTIO-LDADJPATSA-N 347.392 3.000 30 40 EFEB CCS(=O)(=O)Nc1ccc(C(=O)Nc2cccc(C#N)c2)cc1 225963854 APEMLNYQJKSANO-UHFFFAOYSA-N 329.381 2.572 30 40 EFEB N#CCCn1cc(C(=O)CN2CCO[C@H]3CCC[C@@H]32)c2ccccc21 96445725 BRLGCVHZGZVRJN-ICSRJNTNSA-N 337.423 2.991 30 40 EFEB CC[C@H](c1ccncc1)N(C)S(=O)(=O)c1cccc(F)c1C#N 96428135 PCCQCUWYJZQOBU-OAHLLOKOSA-N 333.388 2.864 30 40 EFEB C#Cc1cccc(NC(=O)NC[C@@](O)(/C=C/OCC)C(F)(F)F)c1 583650762 AJPNDVXFYCUGLK-HVHJFMEUSA-N 342.317 2.633 30 40 EFEB CCOc1ccc(N(CCC#N)C(=O)c2cc(C)nc(NC)n2)cc1 252479779 BMTPPTLNVLTLCO-UHFFFAOYSA-N 339.399 2.786 30 40 EFEB COC(=O)c1ccc(C=Nn2c(S)nnc2-c2ccccc2)cc1 253617019 XRPNKWQGSGJMPO-UHFFFAOYSA-N 338.392 2.903 30 40 EFEB COc1cc(CNC[C@@H]2CCCO[C@H]2c2cc[nH]n2)ccc1C#N 591644750 BHVFWRLBTDJYOE-MAUKXSAKSA-N 326.400 2.547 30 40 EFEB C[C@@H](Oc1ccc(C#N)cc1)C(=O)Nc1cc(Cl)ccc1C(N)=O 65490633 PHZMRYHYZCENCF-SNVBAGLBSA-N 343.770 2.717 30 40 EFEB Cc1nc(C2CC2)nc(N2CCN(c3ccc(C#N)nc3)CC2)c1C 1888843472 AAUIIKOBRPACNZ-UHFFFAOYSA-N 334.427 2.564 30 40 EFEB N#Cc1nc(-c2ccc(Cl)cc2)oc1N1CCC(C(N)=O)CC1 3305688 VSOSMIZWTKDQKX-UHFFFAOYSA-N 330.775 2.568 30 40 EFEB CC(C)(C)C(=O)N1CCC[C@@H](C(=O)[C@@H](C#N)C(=O)c2ccccc2)C1 102765880 ZBLUBGKVVIRIQQ-CVEARBPZSA-N 340.423 2.863 30 40 EFEB Cc1ccc(C)c(S(=O)(=O)/N=C(\O)COc2cccc(C#N)c2)c1 48472334 CVFYMWBHIIYDBA-UHFFFAOYSA-N 344.392 2.899 30 40 EFEB Cc1cccc(COc2cccc(/C=N/Nc3nc(=O)[nH]nc3C)c2)c1 4422801 JKNMNRAWJAHBMA-RGVLZGJSSA-N 349.394 2.807 30 40 EFEB CCOC(=O)N1CCN(c2ccc(C(F)(F)F)c(C#N)c2)CC1 95972088 GODHPEISNMRQSM-UHFFFAOYSA-N 327.306 2.856 30 40 EFEB C[C@@H]1CN(C(=O)c2ccc(COc3ccc(C#N)cc3)o2)[C@H](C)CO1 69416911 UZJUXEREQYLUCK-ZIAGYGMSSA-N 340.379 2.980 30 40 EFEB CC1=NN(C(=O)COc2ccc(C#N)cc2)[C@@](O)(c2ccc(C)cc2)C1 408564153 VFFMNDVQSWQEAB-FQEVSTJZSA-N 349.390 2.699 30 40 EFEB C/C(=N/OCC(=O)N(CCC#N)CCC#N)c1cc2ccccc2o1 33392466 MYYGVSBTCYRSAY-STZFKDTASA-N 338.367 2.829 30 40 EFEB COC[C@@]1(C#N)[C@@H](S(=O)(=O)c2ccccc2)[C@@H]1c1ccc(F)cc1 218448861 JAPSKVJVPSFZDR-OKZBNKHCSA-N 345.395 2.922 30 40 EFEB N#Cc1ccc(N[C@H]2CCN(c3ccccc3OC(F)F)C2=O)cn1 195535321 ZZKFDEUNVKRSIF-ZDUSSCGKSA-N 344.321 2.772 30 40 EFEB O=S(=O)(/N=C(\O)[C@H]1CCCN1Cc1ccccc1)c1ccccc1 95447833 IEPOKUAPGFLINT-QGZVFWFLSA-N 344.436 2.996 30 40 EFEB Cc1nc(C)c(/C(O)=N/S(=O)(=O)CCCC(F)(F)F)s1 96487604 JJXLYEHTPUCTMO-UHFFFAOYSA-N 330.353 2.737 30 40 EFEB CN(C)c1ncccc1CNC(=O)CCSc1ccc(C#N)cc1 69869471 ZVQZFDQZPAIQRD-UHFFFAOYSA-N 340.452 2.818 30 40 EFEB C[C@H]1CN([C@@H](CNc2ncccc2C#N)c2cccs2)CCO1 75584743 RWMPPLBWDZDRRA-ZFWWWQNUSA-N 328.441 2.889 30 40 EFEB CCS(=O)(=O)c1cccc(CC(=O)Nc2cccc(F)c2C#N)c1 97378040 QGHZPKRWAOROCN-UHFFFAOYSA-N 346.383 2.672 30 40 EFEB O=C(/C=C/N1CCCN(Cc2ccc(F)cc2)CC1)C(F)(F)F 2570230 FBWVZRNPIPLHGI-RMKNXTFCSA-N 330.325 2.979 30 40 EFEB Cc1ccc(C(=O)NC2CCN(c3ccc(C#N)cn3)CC2)s1 50954786 JNIJMDLDHPWCBJ-UHFFFAOYSA-N 326.425 2.722 30 40 EFEB N#Cc1ccc(CCC(=O)N2CCN(Cc3ccccc3)CC2)cc1 24613559 AVCPERRGEXZOIG-UHFFFAOYSA-N 333.435 2.835 30 40 EFEB Cc1cccc(N2CCN(C(=O)COc3ccc(C#N)cc3)CC2)c1C 3258615 IPSVDLWUUDRADZ-UHFFFAOYSA-N 349.434 2.903 30 40 EFEB COc1ccc(C=Nn2cncn2)cc1CSc1ccccn1 8582451 VQAZFTXXMFYCMQ-UHFFFAOYSA-N 325.397 2.856 30 40 EFEB CN1C(=O)N[C@H](c2ccc([N+](=O)[O-])cc2)C2=C1CC(C)(C)CC2=O 2481369 XIMWCTJBHUYORO-OAHLLOKOSA-N 329.356 2.934 30 40 EFEB Cc1cc(S(=O)(=O)/N=C(\O)c2ccn3cncc3c2)c(C)s1 95463419 CCISNCXBXSXQFV-UHFFFAOYSA-N 335.410 2.706 30 40 EFEB CCCCC(=O)N1CCN(c2nc(C)c3c(c2C#N)CCCC3)CC1 20591598 ALIKIBLZBFASQM-UHFFFAOYSA-N 340.471 2.979 30 40 EFEB Sc1nnc(-c2[nH]nc3c2CCC3)n1/N=C/c1c[nH]c2ccccc12 5762726 MBSUVFLEGKOAJI-DJKKODMXSA-N 349.423 2.809 30 40 EFEB C=C(C)CN(CC)C(=O)CSc1nc(-c2ccc(OC)cc2)n[nH]1 6888304 AONITIFEMOAWOZ-UHFFFAOYSA-N 346.456 2.997 30 40 EFEB COC(=O)[C@H](C#N)c1nc2ccccc2nc1N1C[C@H](C)C[C@@H](C)C1 4938158 ORUOZITUZVUTOH-MGPQQGTHSA-N 338.411 2.892 30 40 EFEB N#CCSCCCN1CCN(Cc2ccc(Cl)cc2)C(=O)C1 80629143 DMLAHSCZMJRNKN-UHFFFAOYSA-N 337.876 2.631 30 40 EFEB CCOc1ccc(-c2nnc(S)n2N/N=C/c2cccnc2)cc1 9088489 CMINOPMLFQGBJJ-WOJGMQOQSA-N 340.412 2.605 30 40 EFEB N#CCCN(Cc1ccccn1)C(=O)Cc1ccc(O)cc1Cl 97059258 BJUCOTZCOJPNMM-UHFFFAOYSA-N 329.787 2.926 30 40 EFEB NC(=O)COc1ccc(/C=N\c2ccc(Cl)c(C(=O)O)c2)cc1 408904172 FWFOKFQOHFELRT-UWVJOHFNSA-N 332.743 2.653 30 40 EFEB CN(Cc1ccc([S@@](C)=O)cc1)C(=O)Nc1cccc(C#N)c1 96454109 BQDGCZYXVPGLRT-QHCPKHFHSA-N 327.409 2.960 30 40 EFEB N#Cc1cccc(NC(=O)NCc2nc(-c3ccc(F)cc3)n[nH]2)c1 69621870 KQHKIZNELKQWPU-UHFFFAOYSA-N 336.330 2.804 30 40 EFEB N#CCN1CCC[C@@H](c2cccc(Nc3nc(C(=O)O)cs3)n2)C1 585290783 FPXJWAGRBGYVNR-LLVKDONJSA-N 343.412 2.683 30 40 EFEB COC(=O)CN(CC(=O)[C@@H](C#N)c1ccccc1)c1ccc(C)cc1 5447414 CAQVWSJJBKUBJK-SFHVURJKSA-N 336.391 2.851 30 40 EFEB CC#CCSc1ncc(S(=O)(=O)c2ccc(C)cc2C)c(O)n1 1888962009 PJXZJZPONWVIPZ-UHFFFAOYSA-N 348.449 2.747 30 40 EFEB Cc1cc(C)n(-c2nncn2/N=C/c2ccccc2Br)n1 56302 AVIAIUOLOXQKRI-CAOOACKPSA-N 345.204 2.725 30 40 EFEB C/C(=N/N=C1\NC(=O)[C@H](CC(=O)O)S1)c1ccc2ccccc2c1 4397960 RLVBMKVIIBPSBY-VAODSVERSA-N 341.392 2.626 30 40 EFEB C#CCn1/c(=N/C(=O)c2ccc(C#N)cc2)sc2cccc(OC)c21 100910023 LMDBNBBAHDINML-VZCXRCSSSA-N 347.399 2.957 30 40 EFEB N#Cc1ccc([C@H]2C=C(c3ccccc3)Oc3[nH]c(=O)[nH]c(=O)c32)cc1 269344 MAHIQFYQPQXYKF-OAHLLOKOSA-N 343.342 2.500 30 40 EFEB CCc1sc(C(=O)N2CCN(c3cc(C#N)ccn3)CC2)cc1C 40489727 JPYMLKYWIPBNPQ-UHFFFAOYSA-N 340.452 2.848 30 40 EFEB COCc1cc(C)nc(N/N=C/c2ccc(C(=O)OC)cc2)c1C#N 59640653 FGHQOXZBKLKHTQ-KEBDBYFISA-N 338.367 2.641 30 40 EFEB CCOC(=O)c1c(C)[nH]c(C(=O)COc2ccc(C#N)cc2)c1C 3274435 UOQJPSQZNWPKIQ-UHFFFAOYSA-N 326.352 2.942 30 40 EFEB N#Cc1ccc(OC[C@H](O)CNCc2nc3ccccc3s2)cc1 44866770 VSPANXQNXKIQNF-CQSZACIVSA-N 339.420 2.697 30 40 EFEB N#Cc1ccc(OCC(=O)OCC(=O)NC2CCCCCCC2)cc1 3316246 RCOARWVIRMYHPP-UHFFFAOYSA-N 344.411 2.709 30 40 EFEB N#Cc1ccccc1COC(=O)CCS(=O)(=O)c1ccccc1F 8522200 BLTNHAFZKIEKHO-UHFFFAOYSA-N 347.367 2.605 30 40 EFEB N#CCCN(Cc1ccccn1)S(=O)(=O)/C=C/c1ccccc1 69653847 INAAWNGAGXUOAK-GXDHUFHOSA-N 327.409 2.798 30 40 EFEB N#CCCN(C(=O)Nc1cc2c(cc1Cl)NC(=O)CO2)C1CC1 69618893 UVYYRLNLLAWZGD-UHFFFAOYSA-N 334.763 2.581 30 40 EFEB Cc1ccc(C(=O)/C=C2/NC[C@@H]3c4ccccc4CCN3C2=O)cc1 18028581 KDZSISMXFGYTHQ-TVNWYLLRSA-N 332.403 2.791 30 40 EFEB CC(C)(C)n1cc(C#N)cc1NC(=O)c1cccc(S(C)(=O)=O)c1 75607139 LUVGLARTSJGCBJ-UHFFFAOYSA-N 345.424 2.771 30 40 EFEB Cc1cnc([C@@H](NS(=O)(=O)Cc2cccc(C#N)c2)C2CC2)s1 96428447 CWQAANDGOWMPOV-HNNXBMFYSA-N 347.465 2.894 30 40 EFEB COc1ccccc1[C@H](C#N)NC(=O)CCc1cccc([N+](=O)[O-])c1 87292316 IFJNCCOPSITUQM-INIZCTEOSA-N 339.351 2.917 30 40 EFEB CCn1cc(S(=O)(=O)/N=C(\O)[C@H](C)Cc2ccc(C)cc2)cn1 97049061 WLIHNNBCLBOXSU-CYBMUJFWSA-N 335.429 2.735 30 40 EFEB COc1cccc2c1CCN(C(=O)NCc1cc(C#N)ccc1F)C2 97082913 GTTIFOZBRKBVSK-UHFFFAOYSA-N 339.370 2.974 30 40 EFEB N#CCCn1ncc2c(NCc3ccc(N4CCCC4)cc3)ncnc21 97200250 PPHZHBRBTNKECC-UHFFFAOYSA-N 347.426 2.952 30 40 EFEB CCc1nnc(Sc2nnnn2-c2ccccc2)c(C#N)c1CC 95411802 CLZVBBREORSQPR-UHFFFAOYSA-N 337.412 2.600 30 40 EFEB C#CCN(Cc1cccc(C)n1)C(=O)[C@H](C)Sc1ccccn1 84980467 ZFUIMZYTWHKGBP-HNNXBMFYSA-N 325.437 2.928 30 40 EFEB Cc1ccc(-n2nc(C(=O)N[C@]3(C#N)CCSC3)cc2C)cc1 95991366 NGRNDPNNYFUGBD-KRWDZBQOSA-N 326.425 2.618 30 40 EFEB C=CCN1C(=O)/C(=C/c2ccc(C(C)(C)C)cc2)C(=O)NC1=S 218204834 UWXNKNFRJAVYDD-SDNWHVSQSA-N 328.437 2.797 30 40 EFEB C=CCNC(=S)Nc1nc(C)cc(N2Cc3ccccc3C2)n1 225925854 NWVYTCSGWLZVJA-UHFFFAOYSA-N 325.441 2.778 30 40 EFEB N#Cc1ccc(CNC(=O)CN2CCC(C(F)(F)F)CC2)c(F)c1 96495813 DEOMEYKWBBYWBA-UHFFFAOYSA-N 343.324 2.588 30 40 EFEB N#Cc1cccc(C2(NC(=O)c3cnn(C4CC4)c3)CCOCC2)c1 600101043 ZFIRBZLWWQDNGG-UHFFFAOYSA-N 336.395 2.525 30 40 EFEB C[C@H]1CCC[C@@H](CCN(C)C)N1S(=O)(=O)c1ccsc1C#N 1614994318 FTJTZTWSCDYNJQ-STQMWFEESA-N 341.502 2.503 30 40 EFEB C#CCCC1(CCC(=O)NC[C@@H](C)N2CCc3ccccc3C2)N=N1 1615000505 DCMOWVHCDCVRJL-MRXNPFEDSA-N 338.455 2.905 30 40 EFEB CC(=O)Nc1ccc(/C=C/C(=O)c2sc(C(N)=S)nc2C)cc1 16957617 HXYCAOMIAVRGGO-VMPITWQZSA-N 345.449 2.940 30 40 EFEB C=C(C)CN(CC)C(=O)C(=O)Nc1ccccc1-n1nccc1C 154684736 DDENVYYZMFLPFN-UHFFFAOYSA-N 326.400 2.544 30 40 EFEB COC(=O)c1ccc(C(F)(F)F)cc1B1OC(C)(C)C(C)(C)O1 394637664 CVRQTSNFZDWYNW-UHFFFAOYSA-N 330.111 2.791 30 40 EFEB N#C[C@H](C(=O)Cn1ccccc1=O)c1nc(-c2ccccc2)cs1 41534751 AGZRBDZKDDOTRF-CQSZACIVSA-N 335.388 2.848 30 40 EFEB COc1cccc(/C=C/C(=O)[C@H]2C(=O)C=C(C)OC2=O)c1OC(C)C 23162671 XNGAUPBHRUPSQO-IJDCCNJMSA-N 344.363 2.711 30 40 EFEB C=CCn1c(S[C@H](C)C(=O)NC(C)(C)C)nnc1-c1cccnc1 7171998 HHTDIFDNMNXHQN-GFCCVEGCSA-N 345.472 2.921 30 40 EFEB COc1ccc([C@H]2[C@@H](C#N)C(=O)Nc3nc4ccccc4n32)cc1OC 20637948 FBCNAWAMJCLTOP-PXAZEXFGSA-N 348.362 2.735 30 40 EFEB Cc1nn(Cc2csc(Cc3ccccc3)n2)c(=O)c(C#N)c1C 58195191 WMGRXNSCUGEKNJ-UHFFFAOYSA-N 336.420 2.827 30 40 EFEB N#Cc1ccc(C(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCCC2)cc1 58209231 PHBLWZXVTDRNOU-IBGZPJMESA-N 347.418 2.522 30 40 EFEB C[C@H](c1cccc(S(N)(=O)=O)c1)N(C)Cc1ccc(C#N)cc1F 70009733 AVRYUCSGYKOSEM-GFCCVEGCSA-N 347.415 2.538 30 40 EFEB Cc1nc(C)n(C[C@@H]2CCCCN2Cc2cc(C#N)ccc2F)n1 69597915 RDASPXYIDPETNU-KRWDZBQOSA-N 327.407 2.960 30 40 EFEB Cc1ccc([C@H]2[C@H](S(=O)(=O)c3ccccc3)[C@@]2(C#N)C(=O)O)cc1 218357637 KFNIFYYPNXYJQI-BQFCYCMXSA-N 341.388 2.529 30 40 EFEB CCCc1nc(SCc2ccc(C(=O)OC)o2)nc(N)c1C#N 225892145 UTFLZVKFSLWSSO-UHFFFAOYSA-N 332.385 2.555 30 40 EFEB CC(C)n1cc(Br)cc1/C(O)=N/S(=O)(=O)C(C)C 96441883 CTLCCABWGZRZMC-UHFFFAOYSA-N 337.239 2.874 30 40 EFEB CN(c1ncc(Cl)cn1)C1CCN(c2ccnc(C#N)c2)CC1 1889083327 UYGGEQUZXXFCAV-UHFFFAOYSA-N 328.807 2.502 30 40 EFEB C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CNCc4ccco4)[C@H]3[C@H]3O[C@@]132 100773433 DPPIWYDVSJYNIM-SVJFYHQZSA-N 345.439 2.895 30 40 EFEB biogenic C[C@H](OC[C@@H]1CCCO1)/C(O)=N/S(=O)(=O)c1ccc(Cl)cc1 69282138 KVNBDFCMTPDCBH-JQWIXIFHSA-N 347.820 2.569 30 40 EFEB N#Cc1cccc(OCCN2CCC(c3n[nH]c(C4CC4)n3)CC2)c1 69873600 FTPKHALAAVATPL-UHFFFAOYSA-N 337.427 2.812 30 40 EFEB Cc1nc(C)n(C[C@@H]2CCCN(Cc3cc(C#N)ccc3F)C2)n1 69841980 ILVAFTUZZFMAPB-MRXNPFEDSA-N 327.407 2.818 30 40 EFEB Cc1nc(C)c(S(=O)(=O)/N=C(\O)COc2cccc(F)c2)s1 83150828 RFZFIOHQYWVQLX-UHFFFAOYSA-N 344.389 2.623 30 40 EFEB N#CCN(CC#N)C(=O)c1ccc(-c2ccc3c(c2)OCCO3)s1 71850970 ZVOHUXPIEIAPOT-UHFFFAOYSA-N 339.376 2.676 30 40 EFEB C[C@H](OC(=O)[C@H]1CCCN(C(=O)C2CC2)C1)c1cccc(C#N)c1 75584557 DNBHXYTZCZCMQB-GUYCJALGSA-N 326.396 2.811 30 40 EFEB N#CCCn1ncc2c(NCCCOC3CCCCC3)ncnc21 97200072 BIUCMIYDIFCKJQ-UHFFFAOYSA-N 328.420 2.891 30 40 EFEB C#CCOc1c(Cl)cc(/C=C2/NC(=O)N(CCC)C2=O)cc1OC 409245021 MGOUTMUJMBVHLP-UKTHLTGXSA-N 348.786 2.663 30 40 EFEB Cc1ccc(S(=O)(=O)Nc2ncccc2OCCCC#N)s1 69677506 GGMUNXXBCYZTIY-UHFFFAOYSA-N 337.426 2.935 30 40 EFEB COC(=O)c1cccc(-c2cc(-c3c(C)n[nH]c3C)nc(N)c2C#N)c1 71760069 WFMIJLOADPTIEY-UHFFFAOYSA-N 347.378 2.996 30 40 EFEB CS(=O)(=O)c1ccc(N/C=C/C(=O)c2ccc3c(c2)OCO3)cc1 44842823 IRUAIERUXKFMRK-CMDGGOBGSA-N 345.376 2.627 30 40 EFEB C=C(C)C[C@H](C)C(=O)N1CCN(C(=O)[C@H](C)CC(=C)C)[C@@H](C#N)C1 585127651 GLFFIQDZGJRXNR-BBWFWOEESA-N 331.460 2.754 30 40 EFEB NC(=S)N/N=C/c1cn(Cc2ccc(F)cc2)c2ccccc12 5741248 GAAJKYHBZDSSAA-AWQFTUOYSA-N 326.400 2.996 30 40 EFEB N#Cc1cccc(C(=O)N2CC[C@H](Oc3ccncc3Cl)C2)c1 575608675 ZSLMQWCGWMRUMR-AWEZNQCLSA-N 327.771 2.900 30 40 EFEB N#Cc1ccc(CCC(=O)N2CC[C@H](Oc3nccs3)C2)cc1 585320171 NGVUFIXRAOGUBG-HNNXBMFYSA-N 327.409 2.627 30 40 EFEB COc1cc(C#N)c(/N=C(/SCC#N)N2CCCC2)cc1OC 100918098 HYSUTORELOZUIC-KNTRCKAVSA-N 330.413 2.916 30 40 EFEB Cc1cc(=O)[nH]c(SCC(=O)N[C@H](C)[C@H]2C[C@H]3CC[C@H]2C3)c1C#N 102210411 YGTZTYURKUODOD-ZOBORPQBSA-N 345.468 2.588 30 40 EFEB N#Cc1ccc(C(=O)NCc2cccc(C(=O)N3CCCC3)c2)cc1 46842458 GOAMMQPMLZSCCZ-UHFFFAOYSA-N 333.391 2.724 30 40 EFEB Cc1ccc(C(=O)NCCNc2ccc([N+](=O)[O-])cc2C#N)cc1F 24214750 UFVGYCRHCMTWSV-UHFFFAOYSA-N 342.330 2.756 30 40 EFEB C=CCNC(=O)CSc1cnnn1-c1ccccc1C(F)(F)F 28296025 DNLFCUMDTUGOJQ-UHFFFAOYSA-N 342.346 2.680 30 40 EFEB Cc1ccc([C@@H](CNc2oc(C)nc2C#N)N2CCOCC2)cc1 27750072 MIUSUUBJKFQHGR-QGZVFWFLSA-N 326.400 2.649 30 40 EFEB CN(CC(=O)N(Cc1ccccc1F)C1CC1)c1ccc(C#N)cn1 65538460 CSYHLQGXCHEUSO-UHFFFAOYSA-N 338.386 2.720 30 40 EFEB O=C1CCCC2=C1[C@H](c1cc([N+](=O)[O-])ccc1Cl)n1ncnc1N2 5441847 JPIUEIKISYXEON-AWEZNQCLSA-N 345.746 2.862 30 40 EFEB Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N(CCC#N)[C@H](C)C1CC1 69601937 UYIPBGAAMYEMKV-GFCCVEGCSA-N 337.401 2.606 30 40 EFEB CC(C)[C@](C)(C#N)NC(=O)COc1ccc(Br)cc1 5861085 XRUPHJMTPJIBBD-AWEZNQCLSA-N 325.206 2.882 30 40 EFEB COc1ccc(N2C(=O)C[C@@H](C3=C(O)CC(C)(C)CC3=O)C2=O)cc1 17877329 MWOLHNMLWYIKEM-ZDUSSCGKSA-N 343.379 2.776 30 40 EFEB C[C@@H](NC(=O)C#Cc1ccc2c(c1)OCO2)c1csc(C2CC2)n1 89913545 QJRJFSRUUGUGLK-LLVKDONJSA-N 340.404 2.978 30 40 EFEB COC(=O)[C@H](Cc1c[nH]c2cccc(C#N)c12)NC(=O)OC(C)(C)C 2362801388 CALILQMDLYRZFG-AWEZNQCLSA-N 343.383 2.648 30 40 EFEB N/C(=N\c1cccc(Br)c1)Nc1ncccc1[N+](=O)[O-] 225243167 QUIJLFHYVNLGHZ-UHFFFAOYSA-N 336.149 2.811 30 40 EFEB N#Cc1cccc(CN2CCn3cc(CNc4ccccn4)nc3C2)c1 96197503 QQTWHMKRIGBGNO-UHFFFAOYSA-N 344.422 2.778 30 40 EFEB COc1cc(Br)c(/C=C2\C(=O)ON=C2C)cc1OC 96193660 AUXWWTRXPFRMPJ-WTKPLQERSA-N 326.146 2.782 30 40 EFEB Cc1cc(Br)ccc1S(=O)(=O)N(C)C(C)(C)C#N 195573191 LWLJIVZLUILBBA-UHFFFAOYSA-N 331.235 2.680 30 40 EFEB C=CCCC(=O)N1C[C@@H]2CN(c3ccc(C(C)(C)C)nn3)C[C@@H]2C1 1888853138 ZFLGQEIEJIAJCC-GASCZTMLSA-N 328.460 2.635 30 40 EFEB C=CCO[C@@H]1CCN(C(=O)c2csnn2)[C@H]1Cc1ccccc1 1565551725 QXMRHDAITKDFDQ-JKSUJKDBSA-N 329.425 2.567 30 40 EFEB C=CCN1CCO[C@@H]2CCN(C(=O)c3cccc(Cl)c3)CC[C@H]21 2055746362 UEXHGDKQVJITDT-IAGOWNOFSA-N 334.847 2.831 30 40 EFEB N#Cc1cccc(C(=O)N2CC[C@@H](Oc3cnc4ccccc4n3)C2)c1 618255646 UXNWXCLYWYPUIJ-MRXNPFEDSA-N 344.374 2.795 30 40 EFEB COc1ccc([C@H]2C3=C(CC(C)(C)CC3=O)OC(N)=C2[N+](=O)[O-])cc1 50123 AYYDFUBBFZIMMF-AWEZNQCLSA-N 344.367 2.857 30 40 EFEB N#Cc1ccccc1N1CCCN(Cc2nnsc2Cl)CC1 46086802 BYAGEYYUVJGCOO-UHFFFAOYSA-N 333.848 2.775 30 40 EFEB CC[C@@H]1CN(C(=O)C2CC2)CC[C@H]1NCc1ccc(OC)c(C#N)c1 89948875 LDNYERAMFHJPME-CRAIPNDOSA-N 341.455 2.694 30 40 EFEB C=CCNC(=O)c1cccc(S(=O)(=O)N(C)c2ccc(F)cc2)c1 55651126 KCNSPAVJKHYPFK-UHFFFAOYSA-N 348.399 2.567 30 40 EFEB Cc1ccc(S(=O)(=O)/N=C(\O)[C@@H](C)OC[C@@H]2CCCO2)c(C)c1 69282751 KSUYQQSNOVLBIE-KGLIPLIRSA-N 341.429 2.533 30 40 EFEB COc1ccc(C(=O)C2=C(O)C(=O)N[C@@H]2c2ccc(OC)cc2)cc1 6239955 WEUFUFRPELSURB-MRXNPFEDSA-N 339.347 2.570 30 40 EFEB CCCN(CC#N)C(=O)c1ccc(N2CCN(C(C)C)CC2)cc1 65593165 YNMZRLFISSNDHJ-UHFFFAOYSA-N 328.460 2.593 30 40 EFEB C[C@@H](Oc1ccc2ccc(=O)oc2c1)C(=O)NC1(C#N)CCCCC1 7046360 OGQWSHGOQVTBBU-CYBMUJFWSA-N 340.379 2.903 30 40 EFEB CCn1cc(S(=O)(=O)/N=C(\O)c2ccc(C(C)C)s2)cn1 97138838 BHWQDAOXQSACJT-UHFFFAOYSA-N 327.431 2.781 30 40 EFEB CCCCCCCNC(=O)C(=O)Nc1ccccc1C(=O)NC(C)C 408708767 MHPCBOCUCIRDSZ-UHFFFAOYSA-N 347.459 2.850 30 40 EFEB C[C@@H](c1ccc(Cl)cc1)[C@@H](C)N(C)S(=O)(=O)N(C)CCC#N 96446709 CUXJAZZSOSHRCH-CHWSQXEVSA-N 343.880 2.854 30 40 EFEB C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2oc(-c3ccccc3)nc2C#N)C1 96346170 WCECYOQUHIHGGL-CHWSQXEVSA-N 345.424 2.880 30 40 EFEB C[C@@H](OC(=O)[C@H]1CCCN(C(=O)C2CC2)C1)c1ccc(C#N)cc1 96451149 YOFAKGMYWSYNOV-DYVFJYSZSA-N 326.396 2.811 30 40 EFEB Cc1c(C#N)ccc(N2CCC[C@H](c3nnc4n3CCC4)C2)c1F 585141993 KZJIZBDIQLVEPD-AWEZNQCLSA-N 325.391 2.928 30 40 EFEB Cc1cccc(C)c1OCC/C(O)=N/S(=O)(=O)c1cccnc1 48532709 BLHUFZMBDDWYOW-UHFFFAOYSA-N 334.397 2.813 30 40 EFEB CN(C)c1ccc(/C=C/C(=O)c2cnc(N3CCOCC3)s2)cc1 16186330 VAKZVDRACGVWCG-VMPITWQZSA-N 343.452 2.942 30 40 EFEB CCCCN1CNC(=Nc2nc(C)c3cc(OCC)ccc3n2)NC1 19320739 SIHQPORIRWPJHF-UHFFFAOYSA-N 342.447 2.534 30 40 EFEB CN1CCCc2cc(/C=N/n3c(S)nnc3C(F)(F)F)ccc21 5543965 NMRQPQQGVMBAJQ-QGMBQPNBSA-N 341.362 2.850 30 40 EFEB COc1cccc([C@H]2O[C@]3(C)OC(=N)[C@](C#N)([C@H]3C)C2(C#N)C#N)c1 100162035 LDVUBUDWDJEHNC-XBLNEZIDSA-N 336.351 2.670 30 40 EFEB COc1ccc(OC)c(/C=N/Nc2nnc3c(n2)[nH]c2ccccc23)c1 1301656 NJUQFJUERQSUOI-VXLYETTFSA-N 348.366 2.969 30 40 EFEB CC1(C)CC(=O)C2=C(C1)O[C@H]([N+](=O)[O-])[C@@H]2c1cccc([N+](=O)[O-])c1 100929299 UQHRGGVWXVAUMF-HIFRSBDPSA-N 332.312 2.955 30 40 EFEB CCNC(=O)NC(=O)CNc1cc(-c2ccc(C#N)s2)ccc1C 58201963 LUFVZWKDLQFDLV-UHFFFAOYSA-N 342.424 2.853 30 40 EFEB Cc1ccc(S(=O)(=O)/N=C(\O)[C@H](C)OC[C@H]2CCCO2)c(C)c1 69282760 KSUYQQSNOVLBIE-UONOGXRCSA-N 341.429 2.533 30 40 EFEB CCOc1ccccc1/C(O)=N/S(=O)(=O)Cc1ccc(C#N)cc1 48507783 BHEZQTQTFLZEPH-UHFFFAOYSA-N 344.392 2.792 30 40 EFEB COC(=O)/C=C1/S/C(=N\Cc2ccco2)N(Cc2ccco2)C1=O 4700826 XOFJRAOTTUOJLR-NINYVLCNSA-N 346.364 2.561 30 40 EFEB COCc1ccccc1CN/C(=N\C1CC1)NCc1nc(C)cs1 75583247 PMDZMUXIHVYLEW-UHFFFAOYSA-N 344.484 2.996 30 40 EFEB C=CCN1C(=O)N/C(=C/c2c(OC)ccc3ccc(OC)cc23)C1=O 409141588 JBWAZIMVGHRDNU-LFIBNONCSA-N 338.363 2.936 30 40 EFEB C[C@@H](NC1=C(C(=O)/C=C/c2ccccc2)C(=O)CC(C)(C)C1)C(=O)O 33750302 DYNXQISBAOMRCL-WTNCMQEWSA-N 341.407 2.975 30 40 EFEB Cc1cc(C(=O)N(CC#N)CC#N)nn1-c1ccc(Cl)cc1Cl 96494406 MCLILZMFPLBTFG-UHFFFAOYSA-N 348.193 2.977 30 40 EFEB CC(C)(C#N)C(=O)NC[C@H](O)c1cccc(OCc2ccccc2)c1 96474081 HSIWHPYILFIYGU-SFHVURJKSA-N 338.407 2.965 30 40 EFEB CCCOC1(NC(=O)c2cccc([N+](=O)[O-])c2)C(C)=CC(=O)C=C1C 16807565 JTSGFORPFJTUEW-UHFFFAOYSA-N 344.367 2.923 30 40 EFEB COc1cc(/N=N/c2ccccc2)cc(/C=N/NC(N)=S)c1O 17885560 FCDHQZSWFCHEOA-VBNSEIGASA-N 329.385 2.983 30 40 EFEB CSc1ncc(C#N)c(N2CCN(c3ccccc3C)CC2)n1 2298045077 RYYGRMIPGQEQAO-UHFFFAOYSA-N 325.441 2.705 30 40 EFEB C=CCn1c(=O)c(C(=O)Nc2cccc(C)n2)c(O)c2ccccc21 100537016 GVOZINYXXUMPOO-UHFFFAOYSA-N 335.363 2.849 30 40 EFEB C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CNCc4ccco4)[C@H]3[C@@H]3O[C@]132 100773432 DPPIWYDVSJYNIM-YGFFHHMWSA-N 345.439 2.895 30 40 EFEB biogenic CCC[C@H](C)CC(=O)[C@H](C#N)C(=O)NCCc1ccc(OC)cc1 101996619 VAMLOGJWOXYGMK-YOEHRIQHSA-N 330.428 2.889 30 40 EFEB CC1=CC(=O)[C@H](C(=O)/C=C/c2ccccc2OCC2CC2)C(=O)O1 102122559 YICQQGOYPSBGAW-BLGFXRMMSA-N 326.348 2.704 30 40 EFEB COc1ccc(OC)c([C@H]2C3=C(C[C@H](C)CC3=O)Nc3ncnn32)c1 22608055 ORNMVMUVYGUWTE-BTDLBPIBSA-N 340.383 2.563 30 40 EFEB C=CCN(C(=O)[C@@H]1CC(=O)N(C2CC2)C1)c1nc2c(s1)CCCC2 57596208 LSCBXVRNKOLSDG-GFCCVEGCSA-N 345.468 2.552 30 40 EFEB Cc1ccc(S(=O)(=O)N(C)C)cc1NCc1ccc(C#N)cc1 44874155 KJZWNADOBYYGOX-UHFFFAOYSA-N 329.425 2.729 30 40 EFEB CC(=O)N[C@@H](CC(=O)N(C)C1(C#N)CCC1)c1ccc(Cl)cc1 58431382 GIBYSFKXWIMPCU-HNNXBMFYSA-N 333.819 2.812 30 40 EFEB C/C(=N\NC(=S)N1CCN(c2ccccc2)CC1)c1ccccn1 38824392 ZTVKYUUAVLQLJA-HMMYKYKNSA-N 339.468 2.502 30 40 EFEB CCN(CC)CC1CCN(C(=O)[C@H](C)Oc2ccccc2C#N)CC1 69415863 MTGHJHHQHZVVSR-INIZCTEOSA-N 343.471 2.906 30 40 EFEB O=C1O[C@H](c2cccc([N+](=O)[O-])c2)C(C(=O)c2ccccc2)=C1O 6768081 SZISGVZXXSBURU-MRXNPFEDSA-N 325.276 2.888 30 40 EFEB CC(C)N1/C(=C/c2ccccn2)C(=O)c2ccccc2S1(=O)=O 9422090 SDIBMBDSXBQJEN-RVDMUPIBSA-N 328.393 2.718 30 40 EFEB CCN(C[C@H](C)C#N)C(=O)Nc1ccc(N2CCO[C@H](C)C2)cc1 72309902 DUNSIKNNUVUKSC-HUUCEWRRSA-N 330.432 2.925 30 40 EFEB C#CCOc1cccc([C@@H](C)NC(=O)NC[C@H](O)c2ccsc2)c1 95399903 WNHJJIQWPGDMKH-DYVFJYSZSA-N 344.436 2.854 30 40 EFEB N#CCCN(CC1CC1)C(=O)[C@@H](O)c1ccc(Br)cc1 95450384 YVAPGEPZTJYLMT-AWEZNQCLSA-N 337.217 2.635 30 40 EFEB C=CCN1C(=O)/C(=C/c2cc(C)n(C(C)(C)C)c2C)C(=O)NC1=S 408960919 JLCUYSJRTYOFSE-GXDHUFHOSA-N 345.468 2.673 30 40 EFEB C=CCN1C(=O)N/C(=C/c2cc(OC)c(OCC)cc2Cl)C1=O 409147522 MJPMZBKOZYJEGI-KPKJPENVSA-N 336.775 2.826 30 40 EFEB C[C@@H](Cc1ccc(F)c(Br)c1)NC(=O)NC[C@@H](C)C#N 96500867 OVCKFIBSNIBZHZ-UWVGGRQHSA-N 342.212 2.978 30 40 EFEB Cc1cccc(NS(=O)(=O)c2cccc(CC#N)c2)c1C(=O)O 619462908 AUAURBABRJGNGT-UHFFFAOYSA-N 330.365 2.560 30 40 EFEB COc1ccc2c(c1)/C(=N/Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C2 4273531 UQANVURBUXKQEQ-SAPNQHFASA-N 328.284 2.884 30 40 EFEB O=C(O)[C@H](Cc1c[nH]cn1)/N=C/c1cc(Cl)cc(Cl)c1O 19118071 AIDQXOORIDVFHA-DNIHCHEOSA-N 328.155 2.537 30 40 EFEB COc1ccc(OC)c(NC(=O)[C@@H](C)Oc2ccccc2C#N)c1 11399963 LURMOGWYNGNSJE-GFCCVEGCSA-N 326.352 2.981 30 40 EFEB COc1ccc([C@H](C#N)NC(=O)CO[C@@H]2CCC[C@H](C)C2)c(OC)c1 71903059 RTKMWDSKZVYMRJ-LXZKKBNFSA-N 346.427 2.980 30 40 EFEB N#CCc1ccc(NS(=O)(=O)CCOc2ccc(F)cc2)cc1 71914690 HIUUZCNRHBCJPM-UHFFFAOYSA-N 334.372 2.712 30 40 EFEB COC(=O)c1ccc(Cl)c(-c2ccc(/C=N/n3cnnc3)o2)c1 559113 ULDXRAHPXRIPEC-FBCYGCLPSA-N 330.731 2.860 30 40 EFEB COCCCNC(=O)[C@@H](C#N)C(=O)c1sc2ccccc2c1C 103259699 BELRIKKWPQQVML-ZDUSSCGKSA-N 330.409 2.685 30 40 EFEB Cc1ccc(C)c(S(=O)(=O)/N=C(\O)c2ccc3c(c2)OCO3)c1 46929221 YTIWPGSSQATBCR-UHFFFAOYSA-N 333.365 2.726 30 40 EFEB C[C@@H](Oc1ccccc1C#N)C(=O)Nc1ccn(Cc2ccccn2)n1 58185459 FHVWKAFSBQMHSI-CQSZACIVSA-N 347.378 2.604 30 40 EFEB C#CCN(Cc1ccc(C)cc1)C(=O)c1ccc(S(C)(=O)=O)cc1 58289362 MPLDASIXELXOBC-UHFFFAOYSA-N 341.432 2.674 30 40 EFEB Cc1cc([N+](=O)[O-])ccc1/N=C1\C(=O)Nc2ccc([N+](=O)[O-])cc21 6266330 IXZZNJQLDIRMJV-UHFFFAOYSA-N 326.268 2.884 30 40 EFEB CCOC(=O)c1cc(C#N)c(SCC(=O)NC(CC)CC)nc1C 13987467 FCEZBMJDPOHMIY-UHFFFAOYSA-N 349.456 2.835 30 40 EFEB Cc1ccc(-c2n[nH]c(SCC(=O)NC3(C#N)CCCC3)n2)cc1 5868771 NYCGHNZVZJJKBB-UHFFFAOYSA-N 341.440 2.825 30 40 EFEB COc1ccc(/C(O)=N/S(=O)(=O)c2sc(C)nc2C)c(C)c1 83150466 BRUFOWZDRIZFQK-UHFFFAOYSA-N 340.426 2.770 30 40 EFEB Cc1ccc(C)c(S(=O)(=O)/N=C(\O)[C@@H](C)OC[C@@H]2CCCO2)c1 69282657 KKKNGEAYFAXKGE-KGLIPLIRSA-N 341.429 2.533 30 40 EFEB N#Cc1ccnc(N2CCN(c3ccnc(-c4ccccc4)n3)CC2)c1 69381025 RTISYHMSGRSLEV-UHFFFAOYSA-N 342.406 2.737 30 40 EFEB C#CCN(C1CCCC1)S(=O)(=O)c1ccc(C(F)(F)F)nc1 97082815 DNLZPQHHNPQQOZ-UHFFFAOYSA-N 332.347 2.667 30 40 EFEB C=CCNS(=O)(=O)c1ccc(NC(=O)N2CCCCCC2)cc1 408584635 SGTXYDRRBFHJLL-UHFFFAOYSA-N 337.445 2.559 30 40 EFEB CCN(CC)S(=O)(=O)/N=C(\O)[C@H]1C[C@@H]1c1ccc(Cl)cc1 78984750 HICHGRUROZQQSM-OLZOCXBDSA-N 330.837 2.987 30 40 EFEB C=CCSc1nc(N)c(C#N)c(COc2cccc(OC)c2)n1 223692676 GWDUUNAUXVLFGW-UHFFFAOYSA-N 328.397 2.796 30 40 EFEB Cc1ccc(/C=C2/CS(=O)(=O)c3ccccc3C2=O)cc1[N+](=O)[O-] 97993478 DOGJRUJSXCUUGU-JYRVWZFOSA-N 343.360 2.957 30 40 EFEB N#Cc1ccc(N2C[C@H]3CC[C@H]2[C@@H]2CN(Cc4ccccc4)C[C@@H]32)nn1 585091416 GUBCTNWGBQOOHA-MDNKFWRPSA-N 345.450 2.695 30 40 EFEB C=CCN1C(=O)/C(=C\c2cc(OC)ccc2OC)C(C(=O)OC)=C1C 120653 SYNXXHOJAQXZIE-PTNGSMBKSA-N 343.379 2.562 30 40 EFEB C#CCN1C(=O)[C@]2(NCCc3c2[nH]c2ccccc32)c2ccccc21 13635149 QHGYTUFJVGVOOP-NRFANRHFSA-N 327.387 2.537 30 40 EFEB O=[N+]([O-])c1ccc(N/N=C/c2cccc([N+](=O)[O-])c2O)c([N+](=O)[O-])c1 100053415 NDAUVVHGEZSLBT-VGOFMYFVSA-N 347.243 2.563 30 40 EFEB C#CCOc1ccc(C[C@H]2SC(=O)N(CC(C)C)C2=O)cc1OC 6326130 AOSVSFXHJNAVPC-MRXNPFEDSA-N 347.436 2.970 30 40 EFEB Cc1cccc(OCCN2C(=O)N[C@](C)(c3ccc(C#N)cc3)C2=O)c1 32859553 GSURUFJBGSAOMT-HXUWFJFHSA-N 349.390 2.713 30 40 EFEB N#Cc1ccc(CN(Cc2ccccc2)[C@@H]2CCS(=O)(=O)C2)cc1 53064874 PUJQTLGWJCMZLC-LJQANCHMSA-N 340.448 2.748 30 40 EFEB Cn1c(-c2ccccc2)nnc1[C@H](C#N)C(=O)CCc1cscn1 71905036 AEZXPVUOHUVWOK-CQSZACIVSA-N 337.408 2.748 30 40 EFEB CC[C@H](Sc1nc(C)nc(C)c1C#N)C(=O)Nc1cc(C)on1 25962000 LIWQXDLNIQESLA-LBPRGKRZSA-N 331.401 2.771 30 40 EFEB COC(=O)c1ccc(/C=N/NC(=S)Nc2cccc(OC)c2)cc1 3256753 YRJZCWUFZSZRJM-WOJGMQOQSA-N 343.408 2.802 30 40 EFEB C[C@H](CC#N)NC(=O)c1nn(-c2ccc(F)cc2)c2c1CCCC2 64345871 WGSLJWVZHWIYPX-GFCCVEGCSA-N 326.375 2.922 30 40 EFEB C=CCSc1nnc(NC(=O)[C@H]2COc3ccccc3O2)s1 6602673 RIWYYVVAYZAYCS-LLVKDONJSA-N 335.410 2.595 30 40 EFEB CN(C)c1cc(/C(N)=N/OCc2ccc(F)c3cccnc23)ccn1 69896677 FEHDKDSJLARSRF-UHFFFAOYSA-N 339.374 2.672 30 40 EFEB COC[C@](C)(C#N)NC(=O)CCc1cc(F)ccc1Br 97085791 VXZBSVUJNUYUPH-AWEZNQCLSA-N 343.196 2.566 30 40 EFEB Cn1nccc1CC/C(O)=N/S(=O)(=O)c1ccc2c(c1)CCCC2 97164009 IEHAKNFSMRSQTC-UHFFFAOYSA-N 347.440 2.577 30 40 EFEB CC/N=C(\NCc1sc(C)nc1C)NC[C@@H](c1ccco1)N(C)C 95965072 ZSPNEHPUGQXREC-AWEZNQCLSA-N 349.504 2.711 30 40 EFEB N#Cc1ccnc(Nc2ccc(F)c(N3CCCC3=O)c2)c1[N+](=O)[O-] 95966023 XTJVCQNDXLWZMV-UHFFFAOYSA-N 341.302 2.871 30 40 EFEB CN1C(=O)C[C@@H](C(=O)Nc2ccc(C#N)cc2)[C@H]1c1ccc(F)cc1 72242186 KDWHGPIEQIBYSI-SJLPKXTDSA-N 337.354 2.855 30 40 EFEB CCOC(=O)c1ccc2c(c1)N(C(=O)c1cc(C#N)oc1C)CCO2 225531442 TYGDFKIFHVQSBZ-UHFFFAOYSA-N 340.335 2.676 30 40 EFEB N#Cc1cc(NC[C@H](c2cccc(F)c2)N2CCOCC2)ccn1 283919237 WZXLZTMLFICZFF-GOSISDBHSA-N 326.375 2.578 30 40 EFEB Cc1cc(S(=O)(=O)Nc2ccccc2C(=O)OCC#N)ccc1F 11333434 NXGMDKGXTJBSQJ-UHFFFAOYSA-N 348.355 2.615 30 40 EFEB Cc1cc(C)n(CC(=O)Nc2cccc(Cl)c2C)c(=O)c1C#N 7615970 IUVSILUWGZFSLO-UHFFFAOYSA-N 329.787 2.937 30 40 EFEB Cc1ccc(F)cc1NC(=O)COC(=O)COc1ccc(C#N)cc1 24746375 XXWVFRHXMCJFCZ-UHFFFAOYSA-N 342.326 2.567 30 40 EFEB Cc1csc([C@H](C#N)C(=O)COC(=O)[C@@]2(C)CC2(Cl)Cl)n1 6510264 VJVJEFKEKAUINF-PRHODGIISA-N 347.223 2.755 30 40 EFEB C=CCN1C(=O)NC(=O)/C(=C(/CC)Nc2ccc3c(c2)CCC3)C1=O 5625226 XNWRTAKKTWWWJB-FOCLMDBBSA-N 339.395 2.516 30 40 EFEB Cc1ccc(/C=C2\Oc3cc(OS(C)(=O)=O)ccc3C2=O)cc1 9419143 ZYFDNYGMPOUJJU-SXGWCWSVSA-N 330.361 2.950 30 40 EFEB N#Cc1nccnc1Nc1ccc2c(c1)CCN2C(=O)c1cccnc1 75611781 CHCPJOWZIJBOAI-UHFFFAOYSA-N 342.362 2.690 30 40 EFEB N#Cc1cccc(CNC(=O)NC[C@@H](O)c2ccc(Cl)c(F)c2)c1 95447198 CUBAFMMXBOHGLL-MRXNPFEDSA-N 347.777 2.884 30 40 EFEB N#Cc1ccc([C@@H](NCCc2nc3ccccc3s2)C(N)=O)cc1 78967252 CMLQQAVNIFSFPN-QGZVFWFLSA-N 336.420 2.527 30 40 EFEB C#CCOc1cccc(CN2C[C@H]3ON=C(c4ccccc4)[C@@H]3C2)c1 72343309 HHJVXEWJJOUXLB-WOJBJXKFSA-N 332.403 2.934 30 40 EFEB COc1cccc([C@@H](C)CC(=O)N2CCN([C@H](C#N)C(C)C)CC2)c1 84591620 VIFOZBMKKPFRLO-QFBILLFUSA-N 343.471 2.881 30 40 EFEB C=CCn1c(N)nnc1SCc1nc(Cc2ccccc2C)no1 80285422 IJGVDQNEWCTMGJ-UHFFFAOYSA-N 342.428 2.621 30 40 EFEB CN1CCN(C[C@H](C#N)Cc2cc(-c3ccccc3Cl)on2)CC1 96319412 DXRIJRWXZCZAHA-AWEZNQCLSA-N 344.846 2.925 30 40 EFEB CCN(CC)C(=O)[C@@H]1CCCN1C(=O)Nc1ccc(F)c(C#N)c1 96434620 FDDWUYQSFIKMAK-HNNXBMFYSA-N 332.379 2.562 30 40 EFEB N#Cc1cccc(CN2CCC3(CC2)C[C@H](c2ccncc2)C(=O)N3)c1 96199541 KZMZAOYXWNQBQM-LJQANCHMSA-N 346.434 2.592 30 40 EFEB C=CCOc1ccccc1C(=O)N1CC[C@@H]([C@H](F)C(=O)OCC)C1 585130065 GRVCCPHHYXLISH-CJNGLKHVSA-N 335.375 2.615 30 40 EFEB C=CCN1CC[C@H](N(C)C(=O)N[C@H](C2CCCC2)C(F)(F)F)C1=O 281913823 JCMGVPBHPBIHHY-QWHCGFSZSA-N 347.381 2.536 30 40 EFEB C#CCOc1ccc(N(C)C(=O)c2ncn(-c3ccccc3)n2)cc1 92324237 JIJKTVTZKHKWJY-UHFFFAOYSA-N 332.363 2.556 30 40 EFEB C=CCN1C(=O)NC(=O)/C(=C/c2cn(CCC)c3ccccc23)C1=O 527582 IOCRHGBMLNYZHX-PTNGSMBKSA-N 337.379 2.699 30 40 EFEB O=c1c2c3c(sc2ncn1/N=C/c1ccc(O)cc1)CCCC3 496194 ITNWFYBORJIGET-DJKKODMXSA-N 325.393 2.925 30 40 EFEB N#Cc1cccc(NCC(=O)Nc2ccccc2C(=O)NC2CC2)c1 12554714 JUKMETJRDLNYAQ-UHFFFAOYSA-N 334.379 2.501 30 40 EFEB O=C(NC1CC1)c1ccc(-n2cccn2)c(C#Cc2ccccn2)c1 19399833 KHACWGKVDDFBBU-UHFFFAOYSA-N 328.375 2.559 30 40 EFEB CCCCCCCN/C=C1/C(=O)NC(=O)N(c2ccc(F)cc2)C1=O 2554708 USOMPPYQFBRRDB-QINSGFPZSA-N 347.390 2.852 30 40 EFEB CCOC(=O)c1c(C)oc2c1/C(=C\NCCO)C(=O)c1ccccc1-2 103001917 CXOWUHBABOYAPS-GXDHUFHOSA-N 341.363 2.551 30 40 EFEB N#Cc1cccc(C(=O)OCc2nc(-c3ccc4c(c3)OCO4)no2)c1 57476988 BWOUKDKQOLPYLM-UHFFFAOYSA-N 349.302 2.694 30 40 EFEB N#Cc1c(/C=C/c2ccccc2)c(C(=O)O)nn(-c2ccccc2)c1=O 409205450 CSTSSZYXYZXRRN-VAWYXSNFSA-N 343.342 2.973 30 40 EFEB COc1cc(/C=N/N2CCN(c3ccc(C)cc3)CC2)ccc1O 3172089 QECQEMLHDPEBGG-XSFVSMFZSA-N 325.412 2.865 30 40 EFEB COc1cccc2c1OCC(C(=O)Nc1cc(C)nn1CCC#N)=C2 71186119 ZAPOXGBPFQPPAG-UHFFFAOYSA-N 338.367 2.528 30 40 EFEB CC[C@@H](O/N=C/c1cccc([N+](=O)[O-])c1)C(=O)Nc1cc(C)on1 13016769 QZVSPAPKBYTEMU-BPKVKKHESA-N 332.316 2.659 30 40 EFEB C[C@H](Oc1ccc2ccc(=O)oc2c1)C(=O)NC1(C#N)CCCCC1 7046355 OGQWSHGOQVTBBU-ZDUSSCGKSA-N 340.379 2.903 30 40 EFEB Cc1noc(C)c1C(=O)N[C@H]1CCCN(c2ccc(C#N)cc2F)C1 68531602 IKQVTDRPGZEPFN-AWEZNQCLSA-N 342.374 2.701 30 40 EFEB CN(CCC#N)C(=O)CN1CCSC[C@H]1c1ccc(Cl)cc1 72286554 CZRATYJWHBDKPT-HNNXBMFYSA-N 337.876 2.802 30 40 EFEB CS(=O)(=O)Cc1cccc(CNc2ccc([N+](=O)[O-])c(C#N)c2)c1 97144722 IPGOWYANZAAZQF-UHFFFAOYSA-N 345.380 2.623 30 40 EFEB N#Cc1ccccc1N1CCN(C(=O)[C@@H]2CCOc3ccccc32)CC1 76805618 MDTBHYYTOXRNMP-GOSISDBHSA-N 347.418 2.773 30 40 EFEB CC(C)CNC(=O)N1CCC[C@@H](C(=O)N[C@H](C#N)c2ccsc2)C1 95400524 GOKXSVBGFQZSGY-UKRRQHHQSA-N 348.472 2.507 30 40 EFEB C[C@H]1CCN(S(=O)(=O)CC#N)[C@@H]1c1ccc(C(F)(F)F)cc1 95439835 PWRMCJFLJGJWNL-GWCFXTLKSA-N 332.347 2.942 30 40 EFEB COc1cc(N2CCc3c(sc(N)c3C#N)C2)ccc1[N+](=O)[O-] 89429332 QKPOHEMVSVUJRC-UHFFFAOYSA-N 330.369 2.681 30 40 EFEB CCOc1ccc(CN2C(=O)/C(=N\O)c3ccccc32)cc1OC 39853876 YEFLEUHUOKDRIR-ZPHPHTNESA-N 326.352 2.819 30 40 EFEB CCCCCCCCCCCC(=O)N[C@H](CCC(N)=O)C(=O)O 100654638 USMCNVFGYLZLGM-CQSZACIVSA-N 328.453 2.742 30 40 EFEB C=CCn1c(C)nnc1SCC(=O)NC12CC3CC(CC(C3)C1)C2 4936519 QMPIDCYHVOPUEI-UHFFFAOYSA-N 346.500 2.950 30 40 EFEB CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccc(C#N)cc2)NC(=O)N1 6049528 IKKRCZLIRQINPT-KRWDZBQOSA-N 332.363 2.825 30 40 EFEB N#Cc1ccccc1S(=O)(=O)NCc1ccc(-c2ccoc2)nc1 575616790 PPUVVKKZFUHLEF-UHFFFAOYSA-N 339.376 2.692 30 40 EFEB COc1ccccc1[C@@H]1C(C(C)=O)=C(O)C(=O)N1CCCOC(C)C 40357818 ODJVRCMHLNKZQA-QGZVFWFLSA-N 347.411 2.795 30 40 EFEB COc1cccc(C(=O)O[C@@H](C)C(=O)NC2(C#N)CCCCC2)c1 11495861 MDPKGIZOUCTHRY-ZDUSSCGKSA-N 330.384 2.583 30 40 EFEB N#CC1(C#N)[C@H]2CCCC[C@]23OC(=N)[C@@]1(C#N)[C@@H](c1ccccn1)O3 4819915 NOXTVQOPVZZGHA-DTDBQYNISA-N 333.351 2.590 30 40 EFEB CC[C@H](O)CN(c1ccccc1)S(=O)(=O)c1ccc(C#N)cc1 60341626 QGQGXFAXSBZZBW-INIZCTEOSA-N 330.409 2.524 30 40 EFEB Cc1ccc([C@H](C)NC(=O)c2ccc(-n3ncc(C#N)c3N)cc2)o1 58226954 SVSBLSJDUICGLL-LBPRGKRZSA-N 335.367 2.719 30 40 EFEB O=S(=O)(N/N=C/c1ccc(N2CCCCC2)cc1)c1ccccc1 3574996 OTDACPFHNXROEY-XDJHFCHBSA-N 343.452 2.989 30 40 EFEB C=CCN(Cc1cccc(C#N)c1)Cc1cc(=O)n2ccsc2n1 63300870 ASEXKRDRHXKOQI-UHFFFAOYSA-N 336.420 2.816 30 40 EFEB C=C(C)CN1CCC(NC(=O)N2CCc3ccc(OC)cc3C2)CC1 71879940 GHOLDWKSBYCUDB-UHFFFAOYSA-N 343.471 2.803 30 40 EFEB N#Cc1cc(F)ccc1CN1CCC(CN2CCCCC2=O)CC1 72663736 FBWXYILWLDKSDJ-UHFFFAOYSA-N 329.419 2.922 30 40 EFEB CC#CC(=O)N1CCC(CCC(=O)N(C)Cc2ccccc2)CC1 12228175 QCWVIZPCFZWGFY-UHFFFAOYSA-N 326.440 2.687 30 40 EFEB CN1CCC(Oc2ccc(N=C(O)[C@@H]3C[C@H]4CC[C@H]3O4)cn2)CC1 328670654 GQRFDKONWTXREQ-BZUAXINKSA-N 331.416 2.710 30 40 EFEB C[C@@H](CC#N)N(C)C(=O)[C@@H](C)Oc1cccc(Br)c1 96426405 HKYTXTIOCBDNMI-WDEREUQCSA-N 325.206 2.977 30 40 EFEB N#Cc1cccc(C(=O)N2CC(c3nc(-c4ccsc4)no3)C2)c1 75156517 SDBDMSPPMOEAMS-UHFFFAOYSA-N 336.376 2.909 30 40 EFEB CC(=O)N1CCc2c(sc(NC(=O)c3ccccc3F)c2C#N)C1 4275214 JZNGLEQBULMHPG-UHFFFAOYSA-N 343.383 2.916 30 40 EFEB CC(C)S(=O)(=O)c1ccc(C(=O)Nc2ccccc2C#N)cc1 9622935 OJNALSQBGJFDFD-UHFFFAOYSA-N 328.393 2.993 30 40 EFEB CN1CCC(OC(=O)[C@@](O)(C#Cc2ccccc2)c2ccccc2)CC1 1669057 QPZCIHUWGXRMCU-JOCHJYFZSA-N 349.430 2.563 30 40 EFEB C=CCn1c(C)nnc1S[C@@H](C(=O)NC1CC1)c1ccccc1 7087143 ULXULXNDPYVXAZ-OAHLLOKOSA-N 328.441 2.885 30 40 EFEB N#Cc1ccc(CSc2nnc(NC(=O)[C@H]3CCCO3)s2)cc1 2660824 RNCUSVTUNNPXRK-GFCCVEGCSA-N 346.437 2.820 30 40 EFEB C=C(C)CN1CCN(Cc2cnc(-c3ccc(OC)cc3)nc2)CC1 22916151 OKQZYWWMEYDHSB-UHFFFAOYSA-N 338.455 2.846 30 40 EFEB N#CCN1CCC(CNC(=O)[C@H]2CCCC[C@@H]2C(F)(F)F)CC1 89817944 KYVRTKAMWADWMK-KBPBESRZSA-N 331.382 2.707 30 40 EFEB CCOc1ccc(S(=O)(=O)/N=C(\O)COC2CCCC2)cc1 48452493 CVFMOIHXFPBSCF-UHFFFAOYSA-N 327.402 2.690 30 40 EFEB C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CNCC(OC)OC)[C@H]3C[C@H]12 4028559 QLQWTPOKMDDMPR-DINLJIAVSA-N 337.460 2.509 30 40 EFEB biogenic COC(=O)CC(=O)CSc1nc(C)cc(C(F)(F)F)c1C#N 4451086 OZJMUSSTRIOARH-UHFFFAOYSA-N 332.303 2.505 30 40 EFEB C#CCN1CCC(C(=O)N2CCO[C@@H](c3ccccc3Cl)C2)CC1 69980341 SQSKHHWVIBIIFL-GOSISDBHSA-N 346.858 2.585 30 40 EFEB C=CCn1cc(C(=O)N2C[C@H](C(N)=O)CC[C@H]2C)c2ccccc21 71830079 FQVKTOFFEADRLM-ZIAGYGMSSA-N 325.412 2.553 30 40 EFEB C#CCN1CCC(C(=O)NCc2cccc(COC(C)(C)C)c2)CC1 71854146 RSLRRPGXUSSMCI-UHFFFAOYSA-N 342.483 2.963 30 40 EFEB CCC(=O)N1CCC[C@H](C(=O)OC[C@@H](C#N)Cc2ccc(F)cc2)C1 78442597 LZNCOKKLSOMTCE-CVEARBPZSA-N 346.402 2.700 30 40 EFEB C=CCN(c1ccccc1F)S(=O)(=O)c1ccc2c(c1)OCCO2 224831261 YTVXMPAHROQUHZ-UHFFFAOYSA-N 349.383 2.978 30 40 EFEB C[C@H](c1cccc(C#N)c1)N1CCN(CCO[C@@H]2CCCCO2)CC1 225531835 PGVPDUWMMAECOX-YLJYHZDGSA-N 343.471 2.780 30 40 EFEB CCN1CCCC[C@@H]1/C(O)=N/S(=O)(=O)c1ccc(Cl)s1 97097957 JJHDJIOGZCIRGT-SECBINFHSA-N 336.866 2.921 30 40 EFEB Cc1csc([C@@H](NS(=O)(=O)Cc2cccc(C#N)c2)C2CC2)n1 96428394 ZUKUVAAJFZYHTF-HNNXBMFYSA-N 347.465 2.894 30 40 EFEB Cc1cc(-c2cc(Cl)cc(C#N)c2)ccc1N1CC(=O)NCC1=O 1615546501 OTLCSUHRMUGRSC-UHFFFAOYSA-N 339.782 2.650 30 40 EFEB N#Cc1cccc(N2CCC(Cn3cnc4ccccc4c3=O)CC2)n1 1888876136 INHIQKXLYMSIFJ-UHFFFAOYSA-N 345.406 2.580 30 40 EFEB Cn1cc(-c2ccc(CCNC(=O)c3cccc(C#N)c3)cc2)cn1 1889256254 VJYFUJANJMBOBL-UHFFFAOYSA-N 330.391 2.931 30 40 EFEB C=CC[C@@H](NCCCN1CCOCC1)c1ccc(OC)c(OC)c1 20130073 ZLTZFPJCRHMIIA-QGZVFWFLSA-N 334.460 2.633 30 40 EFEB N#Cc1c(NC(=O)COC(=O)c2cccs2)sc2c1CCC2 150000 LSWXCIYALLHQLU-UHFFFAOYSA-N 332.406 2.965 30 40 EFEB COc1cccc(/C=N/OCC(=O)N(C)c2ccccc2)c1OC 2662327 JOQQNKOOOXEXOJ-XDHOZWIPSA-N 328.368 2.717 30 40 EFEB CN1C(=O)C(=O)/C(=C(/O)c2ccccc2)[C@H]1c1ccc([N+](=O)[O-])cc1 102585339 IXOPVOAXFHICOA-DPEHCCBOSA-N 338.319 2.646 30 40 EFEB C[C@@](C#N)(NC(=O)CN(Cc1cccs1)C[C@@H]1CCCO1)C1CC1 57748198 DWBFRCBMSAXVTG-YJBOKZPZSA-N 347.484 2.538 30 40 EFEB C[C@@H](Oc1ccc(C#N)cc1)C(=O)/N=c1\[nH]ccn1Cc1ccccc1 47709430 CLGLSQMRBCNPNW-OAHLLOKOSA-N 346.390 2.631 30 40 EFEB Cn1cc(C#N)cc1C(=O)N[C@@H](c1ccc2c(c1)OCCO2)C1CC1 81048801 QKEXYMVEUSDHTQ-GOSISDBHSA-N 337.379 2.549 30 40 EFEB Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)NC[C@@H](C)c1ccccc1 15534174 WJGGFAMBBFNHLP-CYBMUJFWSA-N 337.423 2.716 30 40 EFEB CC(C)CNC(=O)NC(=O)CNc1ccccc1SC[C@@H](C)C#N 69697838 DCDYSOMVRVMUIC-ZDUSSCGKSA-N 348.472 2.832 30 40 EFEB N#Cc1ccccc1N1CCCN(C(=O)[C@@H]2Cc3ccccc3O2)CC1 71851672 ADIOJICURLSMQB-FQEVSTJZSA-N 347.418 2.601 30 40 EFEB COc1ccsc1C(=O)Nc1ccc(-n2ncc(C#N)c2N)cc1 95381533 GMYRCDJYEPGQRG-UHFFFAOYSA-N 339.380 2.649 30 40 EFEB N#Cc1cncc(N2C[C@H]3CC[C@H]2[C@H]2CN(Cc4ccccc4)C[C@H]32)n1 585091419 GURSEAFPJAVQIY-LMCOJAPRSA-N 345.450 2.695 30 40 EFEB CN(CC(=O)OC(C)(C)C)[C@@H]1CCCN(c2cccc(C#N)n2)CC1 277403413 KYEXFNCOPYGYCN-MRXNPFEDSA-N 344.459 2.586 30 40 EFEB N#Cc1ccsc1NC(=O)CCN1CCC(c2cn[nH]c2)CC1 97202939 ZDZQJDQLYZHGPB-UHFFFAOYSA-N 329.429 2.551 30 40 EFEB O=C(/C=C1/NC[C@H]2c3ccccc3CCN2C1=O)c1ccc(F)cc1 36307 LDVIXHLTHSTDLQ-RLGUWMIQSA-N 336.366 2.622 30 40 EFEB O=C(/C=C/c1ccccc1)C1=C(O)C(=O)N(CCO)[C@@H]1c1ccccc1 273452 AVSCAEFNXOINRC-TZZQJPOUSA-N 349.386 2.657 30 40 EFEB CCN1CCN(C(=O)c2oc3c(c2C)/C(=N\O)CC(C)(C)C3)CC1 100931482 RBHZTNWWOUVKGA-UYRXBGFRSA-N 333.432 2.516 30 40 EFEB N#C[C@@H](C(=O)CCCc1nc2ccccc2s1)C(=O)N1CCCC1 103259649 VZZAXHLFMYHRJT-ZDUSSCGKSA-N 341.436 2.950 30 40 EFEB C#CCNCC(=O)Nc1sc(-c2ccccc2)cc1C(=O)OCC 34863175 NUNXVHHMTFHHEF-UHFFFAOYSA-N 342.420 2.753 30 40 EFEB C#CCN(Cc1ccc(F)cc1)C(=O)CN(C)C(=O)c1cccs1 58316592 CKLJEZHQXYAHHH-UHFFFAOYSA-N 344.411 2.621 30 40 EFEB CC(C)(C)n1cc(C#N)cc1NC(=O)NCCNc1ccccn1 65549163 ZUYDCMNXZMLSHR-UHFFFAOYSA-N 326.404 2.743 30 40 EFEB COc1ccc(C)cc1NC(=O)c1ccc(-n2ncc(C#N)c2N)cc1 66239596 IISMHELJZQSLQW-UHFFFAOYSA-N 347.378 2.896 30 40 EFEB C[C@H](OCC1CC1)C(=O)OC1CCN(Cc2ccccc2C#N)CC1 69665318 RLVZRITWSDXGQR-HNNXBMFYSA-N 342.439 2.881 30 40 EFEB CC/N=C1/S/C(=C/c2ccc(N3CCOCC3)cc2)C(=O)N1CC 408931729 PMLAXPRRBMGBHE-BBDGVTCJSA-N 345.468 2.835 30 40 EFEB O=C1COc2ccc(C(=O)/C=C/c3ccc4c(c3)OCCO4)cc2N1 9535716 UKQWBEOEPJYBMQ-DAFODLJHSA-N 337.331 2.685 30 40 EFEB Cc1ccc(CCNCc2cn(C)nc2-c2ccc(C#N)cc2)cn1 97232497 CFDOAOZTXGAGSN-UHFFFAOYSA-N 331.423 2.995 30 40 EFEB COc1cccc(OC)c1CC(=O)N[C@H](C#N)c1ccc(F)cc1F 89471435 KMTXUFNYMKSTBQ-OAHLLOKOSA-N 346.333 2.906 30 40 EFEB C=CCn1c(S[C@H](C)c2nnnn2C)nnc1-c1ccccc1C 189091766 BJJNWAQCDWVRTI-GFCCVEGCSA-N 341.444 2.816 30 40 EFEB CCN(CC)Cc1cnc2n1CCN(Cc1cccc(C#N)c1)CC2 96196827 FWXXKQURVZRANS-UHFFFAOYSA-N 337.471 2.655 30 40 EFEB C=CCOC[C@@]12CCCO[C@@H]1CCN(C(=O)COc1ccccc1)C2 96039682 LQZIJVWBJUMOEU-QUCCMNQESA-N 345.439 2.666 30 40 EFEB N#C[C@]1(C=O)[C@H](c2ccc(Cl)cc2)[C@H]1S(=O)(=O)c1ccccc1 242592164 OKCXJLPUBDQSNT-ZACQAIPSSA-N 345.807 2.989 30 40 EFEB C#CCCCCCC(=O)Nc1ncc(S(C)(=O)=O)cc1Cl 585124379 AOMKDCIEUVJUEI-UHFFFAOYSA-N 328.821 2.661 30 40 EFEB N#Cc1ccccc1NC1CCN(CCO[C@@H]2CCCCO2)CC1 585116137 IKWPBXTZEBTTQR-LJQANCHMSA-N 329.444 2.978 30 40 EFEB Cn1ncc(C#N)c1N1CCO[C@H](c2ccccc2C(F)(F)F)C1 596190698 XCBUSGXBSVSIPZ-AWEZNQCLSA-N 336.317 2.888 30 40 EFEB CCOc1cc(/C=N/n2cnnc2SC)ccc1OC(F)F 36611385 XFNKBSIPYXBEFW-REZTVBANSA-N 328.344 2.882 30 40 EFEB COc1ccc([C@@H]2CCCC[C@@H]2OS(C)(=O)=O)c(OC)c1OC 1592173 MVTSVCQPUDYUPN-AAEUAGOBSA-N 344.429 2.715 30 40 EFEB Cc1nc(SCc2cn3ccccc3c2C#N)sc1CC(N)=O 48289142 QCPANFKYOOXHDX-UHFFFAOYSA-N 342.449 2.896 30 40 EFEB COc1ccc(N2CC(=O)C(c3nc(C)cs3)=C2N)cc1Cl 13723872 KNLWBFRTKJHHJS-UHFFFAOYSA-N 335.816 2.830 30 40 EFEB Cc1ccccc1OCC(=O)N1CCN([C@H](C#N)c2ccccc2)CC1 14183570 ITSWOUFEWCNILG-LJQANCHMSA-N 349.434 2.783 30 40 EFEB C=CCNC(=O)CN[C@@H](c1ccc(F)cc1)c1ccc(OC)cc1 69918680 WFLDWNVQMUTCSA-IBGZPJMESA-N 328.387 2.816 30 40 EFEB COc1cccc(C(=O)OCC(=O)N(C)C2(C#N)CCCCC2)c1 6604626 CAIQWZGSOZKYPX-UHFFFAOYSA-N 330.384 2.537 30 40 EFEB C#CCN1CCC[C@H]1C(=O)Nc1ccc2[nH]c(-c3ccccn3)nc2c1 72284797 IBYDOKVNKYNZHH-SFHVURJKSA-N 345.406 2.661 30 40 EFEB C/N=C(\NCc1ccco1)NC[C@@H]1CCN(c2ccc(F)c(F)c2)C1 75582772 IWLZUHPFSDIDFE-ZDUSSCGKSA-N 348.397 2.749 30 40 EFEB C#Cc1cccc(N(CC)Cc2csc(CS(C)(=O)=O)n2)c1 78949985 IIEFXCSSDFNQFX-UHFFFAOYSA-N 334.466 2.696 30 40 EFEB C=CCn1c(NCc2ccc(Cl)cc2)nc2c(C)nn(C)c2c1=O 32652780 HOLNZEPULOJSIX-UHFFFAOYSA-N 343.818 2.890 30 40 EFEB Cc1ncsc1CCC(=O)N1CCC[C@]2(CCCCO2)[C@@H]1C#N 583739823 FEGCYHNGWFCYSP-DOTOQJQBSA-N 333.457 2.838 30 40 EFEB Cc1ncsc1CCC(=O)N1CCC[C@@]2(CCCCO2)[C@@H]1C#N 583739825 FEGCYHNGWFCYSP-RDJZCZTQSA-N 333.457 2.838 30 40 EFEB C=CCNC(=O)CN[C@@H]1CCN(CC)[C@H]1c1ccc(Cl)c(F)c1 252509158 YDKJVXDPZAHERS-WBVHZDCISA-N 339.842 2.506 30 40 EFEB C=CCNc1ncc(-c2cc(OC)nc(OC)n2)c(-c2ccco2)n1 12327892 LPYREUHOHVRABT-UHFFFAOYSA-N 339.355 2.809 30 40 EFEB CCCCn1c(=O)c2ccccc2n2c(SCCC#N)nnc12 4509870 MRAMXKHGZJJKOE-UHFFFAOYSA-N 327.413 2.850 30 40 EFEB Cc1ccc(Cc2n[nH]c(=NC(=O)N[C@H]3CCC[C@@H]3C#N)s2)cc1 613144507 ZPCCLGROZLGEIK-KGLIPLIRSA-N 341.440 2.673 30 40 EFEB N#Cc1ccc(N2C[C@@H]3[C@H](CCN3c3ncnc4ccsc34)C2)nc1 1889148896 SIIYHXSMNXHEHK-UKRRQHHQSA-N 348.435 2.673 30 40 EFEB C[C@@H](C(=O)Nc1ccccc1C#N)N1CCN(Cc2ccccc2)CC1 23749797 KJDRSXZDBNGWKG-KRWDZBQOSA-N 348.450 2.703 30 40 EFEB N#Cc1ccc(C(=O)NCC2CCN(CC(F)(F)F)CC2)cc1 189283504 VGAKPNGTQWMGNM-UHFFFAOYSA-N 325.334 2.562 30 40 EFEB C=CCc1ccccc1OC[C@H](O)Cn1cnc2ccccc2c1=O 40477407 GQXKALGHYHGLDE-MRXNPFEDSA-N 336.391 2.565 30 40 EFEB CC(C)(C(=O)O)c1ccc(N2CC(=O)C(c3ccccc3)=C2N)cc1 3186758 WUGRMGZGCUVOSN-UHFFFAOYSA-N 336.391 2.765 30 40 EFEB CCOc1cc([C@H]2NC(=O)C(O)=C2C(=O)c2cccs2)ccc1O 4901799 NWIPRQGACOFHFC-CQSZACIVSA-N 345.376 2.718 30 40 EFEB C=CCSc1nnc(NC(=O)Cc2ccc3c(c2)OCCO3)s1 6790408 KKCDCNXXULSYPW-UHFFFAOYSA-N 349.437 2.769 30 40 EFEB CCC(=O)N1CCN(c2oc(/C=C/c3ccccc3)nc2C#N)CC1 21799515 IHAFCPNOSUYMJS-CMDGGOBGSA-N 336.395 2.775 30 40 EFEB COc1cc(=O)n(CCOc2cccc(C#N)c2)cc1Br 96007501 ASTVDZCOCLHXKQ-UHFFFAOYSA-N 349.184 2.570 30 40 EFEB N#CCN1CCC(CNC(=O)[C@@H]2C[C@]23CCCc2ccccc23)CC1 95406959 KDNHVJJZRVFAIF-FPOVZHCZSA-N 337.467 2.632 30 40 EFEB COc1ccc([C@H]2[C@@H](C=O)[C@@H]2S(=O)(=O)c2ccc(C)cc2)cc1 218115202 HNVVXYXHMCZPPI-SQNIBIBYSA-N 330.405 2.758 30 40 EFEB COC(=O)c1cc(S(=O)(=O)Nc2ccc(CC#N)cc2)ccc1C 75081478 KOZSZPWBOSSARA-UHFFFAOYSA-N 344.392 2.649 30 40 EFEB Cc1nc2ccccc2c(=O)n1/N=C1\C(=O)N(C(C)C)c2ccccc21 140040328 DDTOEJLYZIBLKN-PYCFMQQDSA-N 346.390 2.712 30 40 EFEB CC(C)=NN(C(=S)Nc1ccc(C)cc1)[C@H]1CCS(=O)(=O)C1 575421449 QNPZEZHXRDJONR-AWEZNQCLSA-N 339.486 2.577 30 40 EFEB C=C(Br)COC(=O)[C@@H]1CCCN(C(=O)C(C)(C)C)C1 64266005 LHAIDKFGMVWDPU-LLVKDONJSA-N 332.238 2.723 30 40 EFEB N#Cc1ccc(NC2CCN(C(=O)c3cnccn3)CC2)cc1Cl 89769875 RQVGSQHMIUDHHP-UHFFFAOYSA-N 341.802 2.718 30 40 EFEB C=CCOc1ccc(/C=C2/SC(=O)N([C@H](C)C(=O)OC)C2=O)cc1 4472274 QACDYDXAJXVXKD-ZTMOJVSCSA-N 347.392 2.849 30 40 EFEB N#Cc1ccc(N2C[C@H]3CCN(c4nc5ccccc5o4)[C@H]3C2)nc1 1889186313 WUUOQHBVNNVYMX-ZBFHGGJFSA-N 331.379 2.810 30 40 EFEB COc1c2c(cc3c1[C@H](C#C[C@@](C)(O)CC(C)C)N(C)CC3)OCO2 20113498 WDWVQTOTLXZGON-MGPUTAFESA-N 345.439 2.753 30 40 EFEB biogenic N#CCCN(C(=O)COC(=O)c1ccc(O)cc1)c1ccc(F)cc1 3523495 HTKDPMWGYBFJFY-UHFFFAOYSA-N 342.326 2.635 30 40 EFEB C=C(C)CN1CCN([C@@H](C(=O)O)c2c[nH]c3ccc(C)cc23)CC1 20736651 WQMAKSQIBGDYDO-GOSISDBHSA-N 327.428 2.796 30 40 EFEB O=C1Nc2c(cc(Cl)cc2[N+](=O)[O-])N/C1=C/C(=O)c1ccncc1 104238015 FPHRSDMDGVWWRI-YRNVUSSQSA-N 344.714 2.774 30 40 EFEB C=CCO[C@H](C)C(=O)NCc1ccnc(OCc2ccccc2)c1 58405085 FABFAEXCHUBJAO-OAHLLOKOSA-N 326.396 2.868 30 40 EFEB N#Cc1c(Cn2nc(-c3ccc(F)cc3)oc2=O)cn2ccccc12 10523584 ZLNJUUKOOIVADE-UHFFFAOYSA-N 334.310 2.815 30 40 EFEB COc1ccc(/C(C)=N/NC(=S)NCCc2ccccc2)c(O)c1 13123155 DXLLZYNZZVASQO-DEDYPNTBSA-N 343.452 2.832 30 40 EFEB C#CCCOc1ccc([C@@H]2NC(=N)Nc3nc4ccccc4n32)cc1 63494940 ANQHOKNWESPWAB-QGZVFWFLSA-N 331.379 2.935 30 40 EFEB CC(=O)Nc1ccc(F)c(C(=O)N(CCC#N)Cc2ccccn2)c1 69591244 ICUUPVLXAPYZPY-UHFFFAOYSA-N 340.358 2.735 30 40 EFEB N#CCCN(C1CCOCC1)S(=O)(=O)c1ccc(F)cc1Cl 69971962 QMRFEZVXAZVEFS-UHFFFAOYSA-N 346.811 2.562 30 40 EFEB COC(=O)c1scc(C#N)c1NC(=O)Cc1ccccc1OC 83979979 CTBYFUSUBFOIQI-UHFFFAOYSA-N 330.365 2.596 30 40 EFEB Cc1csc([C@@H](C#N)C(=O)c2ccc3c(c2)NC(=O)CCN3C)n1 93242865 NJQXPAZMSOAJKY-LBPRGKRZSA-N 340.408 2.720 30 40 EFEB Cc1cccc(C)c1NC(=O)[C@H](C)Sc1nc(N)cc(N)c1C#N 9315115 YUXDFNYHVPJBCF-NSHDSACASA-N 341.440 2.854 30 40 EFEB C[C@@H](C#N)CSc1ccccc1NC(=O)c1ccc(=O)n(C)c1 71888206 CKRJEIALRZBENT-LBPRGKRZSA-N 327.409 2.889 30 40 EFEB N#Cc1ccc(N2CCN(c3ccc(C(F)(F)F)cn3)CC2)nc1 19924663 QYNQNSVBQKYCJV-UHFFFAOYSA-N 333.317 2.694 30 40 EFEB N#Cc1cccnc1Oc1ccc(NC(=O)CCCn2cncn2)cc1 95396437 UHRBWIRRXBJXKK-UHFFFAOYSA-N 348.366 2.756 30 40 EFEB N#Cc1ccc(C(=O)N2CCC[C@H]2c2nc(-c3ccccc3)n[nH]2)nc1 95448237 JULILRLGAOHRRI-INIZCTEOSA-N 344.378 2.716 30 40 EFEB N#Cc1cn(S(=O)(=O)c2ccccc2[N+](=O)[O-])c2ccccc12 216942485 KFBLMELCFQNLSA-UHFFFAOYSA-N 327.321 2.658 30 40 EFEB C[C@H](NC1(CNc2nccnc2C#N)CCOCC1)c1ccccc1 79097152 JMCLALGUCJFAPF-HNNXBMFYSA-N 337.427 2.660 30 40 EFEB C=CCOC[C@@]12CCCO[C@H]1CCN(C(=O)c1cccc(C)n1)C2 96039657 QOTQUTGGJMFADN-HKUYNNGSSA-N 330.428 2.604 30 40 EFEB N#Cc1ccc(C(=O)N2CC[C@@]3(CC(=O)c4ccccc4O3)C2)cc1 96025573 GKCVGRVGVVQFJS-HXUWFJFHSA-N 332.359 2.808 30 40 EFEB COCc1ccc(/C(O)=N/S(=O)(=O)c2ccc(OC)cc2)cc1 48581493 ZZKVFUOSOLNWFN-UHFFFAOYSA-N 335.381 2.535 30 40 EFEB COc1ccc2c(c1)[nH]c1c(=O)n(/N=C/c3ccc(F)cc3)cnc12 528119 FSUSSBQHMBMQKF-ZVBGSRNCSA-N 336.326 2.908 30 40 EFEB C=C[C@H](C)N1C(=O)S/C(=C/c2ccc(N3CCOCC3)o2)C1=O 6467890 CKMJBUYNBPTHNY-CDDSVFCYSA-N 334.397 2.727 30 40 EFEB COc1ccc(/C=N/NC(=S)NCCc2ccccc2)cc1OC 3280577 CCRSRMOTBUMBEA-DEDYPNTBSA-N 343.452 2.745 30 40 EFEB COCCSCC(=O)N[C@@H](C#N)c1cccc(Br)c1 69517721 XSKXAKOMLINFAX-LBPRGKRZSA-N 343.246 2.510 30 40 EFEB N#Cc1cnn(C(=O)c2ccc(N3CCc4ccccc4C3)cc2)c1N 57556772 LKYLLTQJKGAGED-UHFFFAOYSA-N 343.390 2.588 30 40 EFEB Cc1nn(Cc2nc(-c3ccsc3)oc2C)c(=O)c(C#N)c1C 58290231 UCEYWGPNMSIIGT-UHFFFAOYSA-N 326.381 2.805 30 40 EFEB CC(C)(C)c1cc(CC2(NCc3ccc(C#N)cc3)COC2)no1 67897831 STIGLNJLFNAZME-UHFFFAOYSA-N 325.412 2.945 30 40 EFEB biogenic,in-vitro Cc1ccc(/C=C2\CS(=O)(=O)c3ccccc3C2=O)cc1[N+](=O)[O-] 28912899 DOGJRUJSXCUUGU-MDWZMJQESA-N 343.360 2.957 30 40 EFEB COc1ccc(C(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)cc1 17843278 BNYQCRHBAKLKFW-UHFFFAOYSA-N 335.407 2.525 30 40 EFEB Cc1nc(NS(=O)(=O)c2ccc(C#N)cc2C)cc(C2CC2)n1 97101521 OYYZBKYRDFWGFX-UHFFFAOYSA-N 328.397 2.643 30 40 EFEB N#Cc1cccc(/C=C/C(=O)NCc2nnc(C3CC3)n2C2CC2)c1 183362455 JHLPWBKPAMCADG-RUDMXATFSA-N 333.395 2.692 30 40 EFEB C=CCN(CCO)C(=O)Nc1cc(Br)ccc1OCC 96408997 ILIRSDRBTPIAMN-UHFFFAOYSA-N 343.221 2.860 30 40 EFEB C[C@@H](c1ccccn1)N(C)S(=O)(=O)c1ccc(Cl)cc1C#N 96427828 JIHOSQZBUULKNP-NSHDSACASA-N 335.816 2.988 30 40 EFEB CN1C(=O)C[C@@H](C(=O)O)S/C1=N\c1cccc(C(F)(F)F)c1 100262414 YFUCTAGBQAOWKN-XZCCHYJMSA-N 332.303 2.741 30 40 EFEB C[C@H](OC(=O)CCOc1ccccc1)C(=O)Nc1ccccc1C#N 8008826 BESDPRZANPHBNW-AWEZNQCLSA-N 338.363 2.898 30 40 EFEB COC(=O)[C@H]1C(=O)C2=C(C[C@H]1C)NC(=O)C[C@@H]2c1cccc(Cl)c1 4986720 JHHBTHAUHPMWAV-DDHOLCJHSA-N 347.798 2.596 30 40 EFEB Cc1ccc(CN2CC[C@]3(C[C@@H](Nc4cccc(C#N)n4)CO3)C2)o1 107728694 LCBLSLAWGHGKLK-APWZRJJASA-N 338.411 2.700 30 40 EFEB CCOc1ccc([C@@H]2C3=C(CCCC3=O)OC(N)=C2[N+](=O)[O-])cc1 494293 QGRYBVIOYUBOIE-CQSZACIVSA-N 330.340 2.611 30 40 EFEB C=CCN(CC=C)[C@H](CNc1ccc(C(N)=O)cc1[N+](=O)[O-])C(C)C 23078787 CWPXYBCXTPCSMT-QGZVFWFLSA-N 346.431 2.804 30 40 EFEB C=CCn1cnnc1S[C@H](C)C(=O)N[C@@H](C)[C@@H]1C[C@H]2CC[C@H]1C2 105930574 DOIQHLRWNUZHHZ-AICCOOGYSA-N 334.489 2.886 30 40 EFEB Cc1csc([C@@H]2CN(CCOc3cccc(C#N)c3)CCO2)n1 65473912 RXOMRCNHENBZMH-INIZCTEOSA-N 329.425 2.776 30 40 EFEB N#Cc1cc(NC[C@H]2CCCO2)cc(NC[C@@H]2CCCO2)c1[N+](=O)[O-] 71913833 RFHIARYSFWPZIO-CABCVRRESA-N 346.387 2.648 30 40 EFEB C[C@@H](C/N=C(/N)N1CCC[C@@H](C)C1)c1nc(-c2ccccc2)no1 89595487 QEFLDGUHSKTVSB-KGLIPLIRSA-N 327.432 2.887 30 40 EFEB N#Cc1ccc(S(=O)(=O)Nc2ccc(F)cn2)cc1C(F)(F)F 83577287 QMNQNEXQUCSGSQ-UHFFFAOYSA-N 345.277 2.912 30 40 EFEB N#Cc1cccc([C@@H]2C[C@@H]2C(=O)OCCN2CCCCCC2=O)c1 83147291 CSQAQJQYDULCDI-IRXDYDNUSA-N 326.396 2.608 30 40 EFEB Cc1csc([C@H](NS(=O)(=O)Cc2cccc(C#N)c2)C2CC2)n1 96428393 ZUKUVAAJFZYHTF-OAHLLOKOSA-N 347.465 2.894 30 40 EFEB C=CCNC(=S)Nc1sc(C(C)=O)c(C)c1C(=O)OCC 5375174 NGJDMYMBYOOCDX-UHFFFAOYSA-N 326.443 2.908 30 40 EFEB COc1cc2c(cc1OC)[C@H]1C/C(=N\O)C3=C(CCCC3=O)N1CC2 12656450 GGFOLPPHYONLHA-OOWUWCJESA-N 342.395 2.844 30 40 EFEB biogenic CSc1ncc(C)c(N2CCN(Cc3ccc(C#N)cc3)CC2)n1 1888875889 AKPXMSILWOSJDJ-UHFFFAOYSA-N 339.468 2.701 30 40 EFEB CSc1nc(N)nc(SCC(=O)c2ccc(C)cc2)c1C#N 49875 LFUSAKNAGIZNBU-UHFFFAOYSA-N 330.438 2.936 30 40 EFEB aggregator Cc1nc(CN2CCN(c3snc(Cl)c3C#N)CC2)cs1 40539362 XDKCAMLPRGXRHE-UHFFFAOYSA-N 339.877 2.755 30 40 EFEB C=CC[N+]1(C[C@@H](O)COc2cccc3ccccc23)CCOCC1 309672 ZZNWPGORMLZVBP-GOSISDBHSA-N 328.432 2.613 30 40 EFEB COc1ccccc1NC(=O)[C@H]1CC(=O)OC2=C1C(=O)CC(C)(C)C2 8559673 FLJNQWRKNYCVDL-NSHDSACASA-N 343.379 2.840 30 40 EFEB O=S(=O)(/N=C(\O)CCc1c(F)cccc1F)N1CCCCC1 52793989 JBEQIRTVQZVUJY-UHFFFAOYSA-N 332.372 2.585 30 40 EFEB CN1CC[C@H](NC(=O)c2cc(C#N)c[nH]2)[C@H]1c1ccc(Cl)c(F)c1 108131849 KJTTWMKWMKYJNA-GOEBONIOSA-N 346.793 2.854 30 40 EFEB C=CCc1cc(C=O)cc(Br)c1OCC(=O)OCC 408858913 RKRYLFLXBXJRPT-UHFFFAOYSA-N 327.174 2.932 30 40 EFEB CC(C)(C#N)C(=O)N1CCCN(c2ccc(-c3ccccc3)nn2)CC1 69571677 CHUJANJJVHTMMG-UHFFFAOYSA-N 349.438 2.732 30 40 EFEB O=C1C[C@H](c2ccco2)CC2=C1[C@H](c1ccncc1)n1ncnc1N2 22608671 HPKWNCGHIZOGLA-PXAZEXFGSA-N 333.351 2.682 30 40 EFEB C/C(=N/NS(=O)(=O)c1cc(C)ccc1C)c1ccc2c(c1)OCO2 15934519 CVYNZPHDOIVKDN-AQTBWJFISA-N 346.408 2.735 30 40 EFEB C=CCn1c(SCN2CCCCC2=O)nnc1-c1ccccn1 97080625 HDGYAQRMHVUGET-UHFFFAOYSA-N 329.429 2.588 30 40 EFEB CC1=CC[C@@H](/C(C)=C/CC[C@@](C)(O)/C=C2/C(=O)C(C)=C[C@H]2O)OC1=O 77257643 WALMEPYKXGNNSY-AZFNIKPVSA-N 346.423 2.542 30 40 EFEB biogenic,in-vitro N#Cc1ccsc1NC(=O)CN1CCN(c2ccccc2F)CC1 34800043 VQTGQLMRGKWHGF-UHFFFAOYSA-N 344.415 2.520 30 40 EFEB CC[C@H](C)CCC(=O)Nc1sc2c(c1C#N)CCS(=O)(=O)C2 585124692 NCTLBOOJYITWLD-JTQLQIEISA-N 340.470 2.855 30 40 EFEB CCN1CCC(N(C(=O)[C@H](C)Oc2ccccc2C#N)C2CC2)CC1 57371931 KJVGMWWNWNRSGK-HNNXBMFYSA-N 341.455 2.801 30 40 EFEB CC(=O)NCc1ccc(C(=O)[C@@H](C#N)C(=O)c2ccc(C)s2)cc1 100871557 SZBOKCNUWNEZKF-OAHLLOKOSA-N 340.404 2.898 30 40 EFEB CCCC/N=C(/S)N1CCN(Cc2ccc3c(c2)OCO3)CC1 13556189 FEVLVPDPWRAHDH-UHFFFAOYSA-N 335.473 2.619 30 40 EFEB C=CCN1C(=O)/C(=C\c2cccc(OCC)c2O)C(C(=O)OC)=C1C 14406547 CZRWAEZFYANXIS-KAMYIIQDSA-N 343.379 2.650 30 40 EFEB O=C(Cc1ccccc1)OCC#CC#CCOC(=O)Cc1ccccc1 1583104 ZFQWDMYKFGYDBO-UHFFFAOYSA-N 346.382 2.565 30 40 EFEB C#CCNC(=O)CNC(=O)Nc1ccccc1SC1CCCC1 51612947 OVGNTUFLYFJCCF-UHFFFAOYSA-N 331.441 2.592 30 40 EFEB N#Cc1cc([N+](=O)[O-])ccc1N1CCCN(C(=O)C2CCCC2)CC1 32831467 LYDAYPYXYHEINT-UHFFFAOYSA-N 342.399 2.695 30 40 EFEB C#CCOc1ccc(/C=C2\S/C(=N/C)N(C)C2=O)cc1CC=C 59104076 KPHSKQLCMJBNQC-MPOVVXLQSA-N 326.421 2.959 30 40 EFEB Cc1c(C#N)c2ncn(Cc3ccccn3)c(=O)c2n1-c1ccccc1 547365 RQWPNUWABIAOOI-UHFFFAOYSA-N 341.374 2.811 30 40 EFEB Cc1ccc(-n2c(C)cc(/C=N/N[C@H]3CCS(=O)(=O)C3)c2C)cc1 3170414 CRCMFQRMHLSTDA-WAKXPGHKSA-N 345.468 2.513 30 40 EFEB C=CCN(Cc1ccc(OC)cc1)C(=O)CCNc1ncccn1 58130301 PWEFMBTXQNJMJB-UHFFFAOYSA-N 326.400 2.502 30 40 EFEB C=CCNC(=O)[C@H](C#N)c1nc2ccccc2nc1N1CCC(C)CC1 2319613 BMUPVDUIDKBZHT-OAHLLOKOSA-N 349.438 2.775 30 40 EFEB C[C@@H](NC(=O)Nc1ccc(-n2ncc(C#N)c2N)cc1)c1cccnc1 69772524 PJLSJHFTOIXGIK-GFCCVEGCSA-N 347.382 2.604 30 40 EFEB C=CCNC(=O)c1ccc(N[C@H]2CCCC[C@H]2n2cccn2)nc1 80606585 HKVOPJNFVCJYIF-JKSUJKDBSA-N 325.416 2.790 30 40 EFEB CN(C)C(=O)Nc1cccc(C(=O)N[C@@H](C#N)c2ccccc2F)c1 72292338 VHIAIAYHSSULSE-INIZCTEOSA-N 340.358 2.914 30 40 EFEB CCc1c(Cl)nc(C)nc1N1CCN(c2ncccc2C#N)CC1 76061514 RMEWJVFPTSDGRF-UHFFFAOYSA-N 342.834 2.594 30 40 EFEB N/C(=N\c1cccc(OC(F)(F)F)c1)Nc1ncccc1[N+](=O)[O-] 225243459 NBRFUHBUTNZZGI-UHFFFAOYSA-N 341.249 2.947 30 40 EFEB CC/N=C(/NCCc1ccc2c(c1)CCO2)NCc1cnc(C)s1 96445612 YAADBMBZUAWTFY-UHFFFAOYSA-N 344.484 2.684 30 40 EFEB N#Cc1cc2c(nc1N1C[C@@H]3CN(c4ccccn4)C[C@H]3C1)CCCC2 2298061987 RHRLTFLUUSUKBH-ROUUACIJSA-N 345.450 2.800 30 40 EFEB O=C(c1ccccc1/N=C/c1cccc([N+](=O)[O-])c1)N1CCOCC1 136738 RGGUPOOCOLFWOM-CPNJWEJPSA-N 339.351 2.818 30 40 EFEB CCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)OCC#N)cc1 2661242 NMFFUIHHXBYLTP-UHFFFAOYSA-N 344.392 2.582 30 40 EFEB C[C@]12C[C@@H](O)[C@]3(F)[C@H](CCC4=CC(=O)C=C[C@@]43C)[C@@H]1CCC(=O)O2 8618655 XUYWZQUKJIPOPA-ZXPQYSFNSA-N 334.387 2.653 30 40 EFEB Cc1ccc(C(=O)[C@H](C#N)C(=O)[C@@H]2CCCN(C(=O)C3CC3)C2)s1 102763785 FMCXPDLTMCJRJD-ZIAGYGMSSA-N 344.436 2.597 30 40 EFEB N#Cc1c(CCCNc2ncnc3c2oc2ccccc23)n[nH]c1N 23296123 FHIWNMGXSPJISS-UHFFFAOYSA-N 333.355 2.598 30 40 EFEB N#CCSCC(=O)NCC1(c2ccc(Cl)cc2)CCOCC1 56366043 MQVPPNZBXVTZES-UHFFFAOYSA-N 338.860 2.761 30 40 EFEB COC(=O)c1cc(OCc2ccc(C#N)cc2)cc(C(=O)OC)c1 3251409 KDDDJIVYPPOMGX-UHFFFAOYSA-N 325.320 2.710 30 40 EFEB CC(C)COC(=O)N1CCCN(C(=O)Nc2cccc(C#N)c2)CC1 58201889 VYEGTVBLNOULNK-UHFFFAOYSA-N 344.415 2.890 30 40 EFEB COc1cc([N+](=O)[O-])ccc1NC(=O)C[n+]1ccc2ccccc2c1 5156605 QJFGRXFMKMZQRT-UHFFFAOYSA-O 338.343 2.683 30 40 EFEB C(=N/Nc1nnc2c(n1)[nH]c1ccccc12)\c1ccc2c(c1)OCCO2 5379616 LBYRCHSLTRGKTA-VXLYETTFSA-N 346.350 2.723 30 40 EFEB CC(C)Cc1cc(/C(O)=N/S(=O)(=O)/C=C/c2ccccc2)[nH]n1 97465406 VGDZEIHKPBYAMQ-CMDGGOBGSA-N 333.413 2.914 30 40 EFEB CCOC(=O)C1=C(NC(=O)CC)S/C(=C\c2cccs2)C1=O 409089108 HFTAWCWKIHTURR-NTMALXAHSA-N 337.422 2.706 30 40 EFEB Cc1ccc(S(=O)(=O)[C@@H]2[C@H](c3cccc(Cl)c3)[C@@]2(N)C#N)cc1 218429351 ZCRDMPIUWDAAEE-BBWFWOEESA-N 346.839 2.809 30 40 EFEB Cc1cc(S(=O)(=O)N(CCC#N)CC(F)(F)F)c(C)s1 190339025 NXRTXGOMRUAWLA-UHFFFAOYSA-N 326.365 2.832 30 40 EFEB C[S@@](=O)c1cccc(NC(=O)N(CCC#N)Cc2ccccn2)c1 89493263 PCCFPOLITBCFDS-DEOSSOPVSA-N 342.424 2.767 30 40 EFEB Cc1sc(NC(=O)[C@@H]2CC(=O)N(C3CCCC3)C2)c(C#N)c1C 58989753 YBQIVMVHEGDMHH-GFCCVEGCSA-N 331.441 2.966 30 40 EFEB C/C(=N\NC(=S)NCCc1ccccc1)c1ccc(O)cc1O 102986178 GRPDASVKOJOMHR-XDHOZWIPSA-N 329.425 2.529 30 40 EFEB Cn1cc(N2CC[C@H](Sc3ccc(C#N)cc3Cl)C2=O)cn1 89755834 DURWKRKMWPKGLK-AWEZNQCLSA-N 332.816 2.843 30 40 EFEB C=CCN(Cc1cccs1)C(=O)CN1CCC[C@@H]1c1noc(C)n1 75573179 GCRQSNLGQLEVFH-OAHLLOKOSA-N 346.456 2.791 30 40 EFEB CC(=O)/N=C1\NC(=O)/C(=C/c2ccc(C(C)C)c([N+](=O)[O-])c2)S1 4512600 PCFCOEWQHXTFSO-QPEQYQDCSA-N 333.369 2.825 30 40 EFEB COc1ccc(/C=N/n2c(-c3cc(C)[nH]n3)n[nH]c2=S)cc1OC 5595749 DEWWGIUNKWRKEG-LZYBPNLTSA-N 344.400 2.539 30 40 EFEB CC[C@]1(c2ccc(OC)cc2)NC(=O)N(Cc2ccccc2C#N)C1=O 7467211 KHIGJLTUTDFSGB-HXUWFJFHSA-N 349.390 2.924 30 40 EFEB Cc1cccc2nc(CNC(=O)[C@@H](C)Oc3ccccc3C#N)cn12 68569577 CWMUESXGPXDHTC-CQSZACIVSA-N 334.379 2.598 30 40 EFEB CN(Cc1ccc(F)cc1C#N)C[C@H](O)COCc1ccccc1 71907821 YKWIMFZNNUMNFG-IBGZPJMESA-N 328.387 2.707 30 40 EFEB CC(C)Cn1cc(C(=O)N[C@H](C#N)c2cnn(-c3ccccc3)c2)cn1 97237764 JTFUJDFWKIIBPO-GOSISDBHSA-N 348.410 2.719 30 40 EFEB COc1ccc(NC(=O)[C@H]2S/C(=N/c3ccccc3)NC2=O)cc1 226761301 DDIQMAWUZJHBQU-CQSZACIVSA-N 341.392 2.553 30 40 EFEB N#Cc1cc(C(F)(F)F)ccc1N1CC[C@@H](c2cc(O)nc(N)n2)C1 600878255 ADJAPPKRNQHDLC-SECBINFHSA-N 349.316 2.649 30 40 EFEB O=[N+]([O-])c1ccc(/C=N\NC(=S)NC23CC4CC(CC(C4)C2)C3)o1 5706403 BNRMQRGHYYFDAX-MFOYZWKCSA-N 348.428 2.955 30 40 EFEB N#Cc1ccc(N2C[C@@H]3CN(c4nc5ccccc5o4)C[C@H]3C2)nc1 1888906299 SWDUIUDMZHDULA-HUUCEWRRSA-N 331.379 2.667 30 40 EFEB C=CCN1CCC[C@]12CCCN(C(=O)c1nc3ccccn3c1C)C2 1614934545 QKSGNNGPNSKUNS-FQEVSTJZSA-N 338.455 2.899 30 40 EFEB COc1ccc(-c2nc(C#N)c(NCCCN(C)C)o2)cc1OC 2424440 MWLNXCATBQOBEM-UHFFFAOYSA-N 330.388 2.594 30 40 EFEB CC(C)[C@H](C#N)N1CCN(c2ccc([N+](=O)[O-])c3cnccc23)CC1 71920551 CQACWZSSBTVDNE-SFHVURJKSA-N 339.399 2.813 30 40 EFEB O=C(OC/C(=N\O)c1ccc(Br)cc1)c1ccccn1 102519847 OZGMFFFNRUJWFE-GHRIWEEISA-N 335.157 2.879 30 40 EFEB C[C@@H]1CN([C@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)CCO1 106045529 GHNWWUNIOSHBCO-CHWSQXEVSA-N 347.484 2.936 30 40 EFEB N#CCC[C@H](C#N)CN1C(=O)N[C@@]2(CCCCc3ccccc32)C1=O 24981969 VWMVXQHEIIAREB-AUUYWEPGSA-N 336.395 2.604 30 40 EFEB N#Cc1cccc(S(=O)(=O)NCc2nc3ccccc3s2)c1 25657312 NCEQJAAWQKVDSS-UHFFFAOYSA-N 329.406 2.646 30 40 EFEB CC(C)N(CC(=O)N[C@](C)(C#N)C(C)C)Cc1ccc(C#N)cc1 58289301 QHMKWTAYJHHHAI-LJQANCHMSA-N 326.444 2.823 30 40 EFEB Cc1nn(-c2ccccc2)c(CSc2nc3ncccn3n2)c1C#N 10881912 OXBRFJRAPAXTGT-UHFFFAOYSA-N 347.407 2.782 30 40 EFEB COc1cc(C#N)ccc1OCC(=O)N[C@@H](C)c1ccc(F)cc1 3349953 OHZHNONMPYWEPQ-LBPRGKRZSA-N 328.343 2.962 30 40 EFEB COc1cc(C(=O)OCc2ccccc2C#N)c([N+](=O)[O-])cc1OC 3512949 WGNSALAQQOHGCL-UHFFFAOYSA-N 342.307 2.841 30 40 EFEB COc1ccccc1NC(=O)/C(=N/OCc1ccc(F)cc1)C(C)=O 6078200 JIWJRRUWKOLBLK-HEHNFIMWSA-N 344.342 2.935 30 40 EFEB Cc1cc(NC(=O)CO/N=C/c2ccccc2OC(F)F)no1 5349171 DGMXAZZXVBLRTO-REZTVBANSA-N 325.271 2.574 30 40 EFEB COc1ccc([C@]2(C)NC(=O)N(Cc3ccc(C#N)cc3)C2=O)cc1 14183083 LSSXTLOVEUBVNH-IBGZPJMESA-N 335.363 2.534 30 40 EFEB CS(=O)(=O)c1ccc(OCCNc2cccc(F)c2C#N)cc1 69772693 JQULGEXIKNKOOC-UHFFFAOYSA-N 334.372 2.592 30 40 EFEB Cc1ccc(CNC(=O)Nc2ccc(-n3ncc(C#N)c3N)cc2)cc1 71853968 QQHBFRBSOYYLHF-UHFFFAOYSA-N 346.394 2.956 30 40 EFEB CC1=NN(C(=O)COc2ccccc2C#N)[C@](O)(c2ccc(C)cc2)C1 408562986 HKOUFHNCQUVOPL-HXUWFJFHSA-N 349.390 2.699 30 40 EFEB COc1ccccc1[C@H](C#N)NC(=O)c1cccc(-c2n[nH]c(C)n2)c1 76061249 PIEVRQJBENPRMJ-INIZCTEOSA-N 347.378 2.783 30 40 EFEB C[C@@H](OC[C@@H]1CCCCO1)/C(O)=N/S(=O)(=O)C1CCCCC1 75126164 ZRALEIHEZHMKNP-OLZOCXBDSA-N 333.450 2.580 30 40 EFEB C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@H]1O 118934969 KRJYQZVCFICBNU-ZNNJTFIOSA-N 334.431 2.964 30 40 EFEB CCCc1ccc(S(=O)(=O)/N=C(\O)[C@H]2C[C@H]2c2cnn(C)c2)cc1 78556472 MOWKTIBQOBJVBI-HOTGVXAUSA-N 347.440 2.822 30 40 EFEB N#C[C@]1(C=O)[C@@H](S(=O)(=O)c2ccccc2)[C@@H]1c1cccc(Cl)c1 218483800 JRXUQBLTUKNJPY-YESZJQIVSA-N 345.807 2.989 30 40 EFEB N#CCCN(CC1CC1)C(=O)C(=O)c1ccc(Br)cc1 79310154 ULBXTFVVDAGQDE-UHFFFAOYSA-N 335.201 2.784 30 40 EFEB N#Cc1ccc(N2CCCN(C(=O)c3ccc(F)cc3F)CC2)cn1 97227381 OUSGXTISOIDNJN-UHFFFAOYSA-N 342.349 2.584 30 40 EFEB Cc1cnc([C@H](NS(=O)(=O)c2cccc(C#N)c2)C2CC2)s1 96428444 CYCGJQFRFFQXQW-CQSZACIVSA-N 333.438 2.753 30 40 EFEB C=CCOc1ccccc1/C=C1\SC(=S)N(CCC(=O)O)C1=O 2700494 QBKKLAJNJMZYPI-RAXLEYEMSA-N 349.433 2.927 30 40 EFEB N#CC1(C(=O)N2CC[C@@]3(CC(=O)N(c4ccsc4)C3)C2)CCCC1 1614937316 MVFCCTCSTMENNP-QGZVFWFLSA-N 343.452 2.787 30 40 EFEB C[C@H](Oc1ccc(C#N)cc1)C(=O)NCc1cnn(-c2ccccc2)c1 11564723 GZNNWBCQJHXACG-HNNXBMFYSA-N 346.390 2.828 30 40 EFEB N#Cc1ccc(NCC(=O)Nc2ccc(N3CCCC3=O)cc2)cc1 11549471 ZBGIIWLKSWZOPB-UHFFFAOYSA-N 334.379 2.736 30 40 EFEB C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1N(C)C(=O)c1ccc(C#N)cn1 71914812 UODKKROABKMJAK-UZLBHIALSA-N 348.450 2.936 30 40 EFEB CCOc1cc(/C=N/Nc2ccccc2C(=O)O)cc([N+](=O)[O-])c1O 11903726 FLSCCCRRMLCEMA-RQZCQDPDSA-N 345.311 2.843 30 40 EFEB COc1ccc2[nH]c3c(=O)n(Cc4ccc(C#N)cc4)cnc3c2c1 500792 YJMSFAHMYLFQJQ-UHFFFAOYSA-N 330.347 2.806 30 40 EFEB Cc1nn(-c2ccccc2)c(CN2CC[C@H]3CC[C@@H](C2)N3C)c1C#N 91071528 DRJZUPMCVHTGNN-AEFFLSMTSA-N 335.455 2.721 30 40 EFEB C#CCNC(=O)c1c(C)nn(-c2ccc(Br)cc2)c1C 45031038 UOODZRHOYHNSIQ-UHFFFAOYSA-N 332.201 2.615 30 40 EFEB C=CCNC(=O)c1cc(C2CC2)nc2c1c(C)nn2-c1ccccn1 64721783 NSTFBLTVWBTBRS-UHFFFAOYSA-N 333.395 2.917 30 40 EFEB COC(=O)c1ccc(NC(=O)[C@H](C)Oc2ccc(C#N)cc2)c(F)c1 65523912 QLZLRUYSHBCLQL-NSHDSACASA-N 342.326 2.890 30 40 EFEB CC(C)N(C)C(=O)C1CCN(c2oc(-c3ccco3)nc2C#N)CC1 75572406 ZBMVJXBDOLTAQI-UHFFFAOYSA-N 342.399 2.889 30 40 EFEB Cc1cc([C@H]2CCCN2C(=O)COc2ccc(CC#N)cc2)no1 71828383 HSQRPQFMWSHHDC-QGZVFWFLSA-N 325.368 2.792 30 40 EFEB Cc1cc([C@H]2CCCN(C(=O)COc3ccc(CC#N)cc3)C2)n[nH]1 76059892 YOVFCFPHXXDOMO-INIZCTEOSA-N 338.411 2.569 30 40 EFEB Cc1nc(C(=O)N2CCC[C@H]2c2ccc3c(c2)OCO3)ccc1C#N 77329337 GGWNLJHRFIROLH-INIZCTEOSA-N 335.363 2.968 30 40 EFEB CN(C)[C@@H](CNC(=O)NCc1ccc(C#N)cc1F)c1ccsc1 78758518 SIRKRJURJIMZMY-INIZCTEOSA-N 346.431 2.861 30 40 EFEB N#Cc1ccc(S(=O)(=O)CCSc2ncc3ccccn23)cc1 79001375 MTCNSZKFUMXXFV-UHFFFAOYSA-N 343.433 2.772 30 40 EFEB Cc1nnc(-c2cccc(C(=O)NCc3cccc(OCC#N)c3)c2)o1 73665345 VHCZEZOGQXTZMH-UHFFFAOYSA-N 348.362 2.877 30 40 EFEB C[C@@H]1CN(S(=O)(=O)c2cccc(C#N)c2)[C@H](c2ccccc2)CO1 96433550 ROHVOLUCKBEXMW-KDOFPFPSSA-N 342.420 2.709 30 40 EFEB COc1ccc(O)c(/C=N/Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1 5357989 FISPHRVADMEIIL-OVCLIPMQSA-N 332.272 2.663 30 40 EFEB CC(=O)C1=C(O)C(=O)N(CCc2cnc[nH]2)[C@@H]1c1ccc(Cl)cc1 4626060 MVUHCOSEKJCPPS-OAHLLOKOSA-N 345.786 2.590 30 40 EFEB Cc1ccc(C#N)c(N2CCC[C@@H](C(=O)N3CCC(F)(F)CC3)C2)n1 2298183890 SMNSJIPMZBWPTF-OAHLLOKOSA-N 348.397 2.736 30 40 EFEB C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@]21OCC1=O 4933922 KVTUNQQLGNXYMG-VWUMJDOOSA-N 344.451 2.827 30 40 EFEB C=CCN(C(=O)/C=C/c1ccc(OCC(N)=O)cc1)C1CCCC1 57262952 FNHNDUPTZGUXQC-FMIVXFBMSA-N 328.412 2.521 30 40 EFEB COc1ccc(/N=C\c2ccc(O[C@@H](C)C(=O)O)c(OC)c2)cn1 409020798 TZMPAIVAEHBXAZ-HCGGYXKBSA-N 330.340 2.701 30 40 EFEB CC(C)(C)OC(=O)N1CCC[C@@]1(Cc1ccc(C#N)cc1)C(=O)O 4241160 XXEWRBYLYOPIDB-GOSISDBHSA-N 330.384 2.955 30 40 EFEB COc1cc(OC)c(CCNC(=O)c2ccc(C#N)cc2)c(OC)c1 71888107 AZQPQGJYWFVWIY-UHFFFAOYSA-N 340.379 2.557 30 40 EFEB N#C[C@@H](C(=O)CN1CCCCCCC1=O)c1nc2ccccc2o1 71803554 ODVIFPVHMJDJHI-ZDUSSCGKSA-N 325.368 2.797 30 40 EFEB C=CCN1C(=O)N/C(=C/c2ccc(N3CCCCC3)cc2F)C1=O 409125247 CRUIQJWRPSYWTA-LFIBNONCSA-N 329.375 2.895 30 40 EFEB CCCC/N=C(\NCCCC)NCc1nc([C@H](C)OCC)no1 78953663 SRKBGQRCSMOKGL-ZDUSSCGKSA-N 325.457 2.803 30 40 EFEB NC(=S)N/N=C(\C(=S)Nc1ccc(F)cc1)c1ccccc1 68572227 BTMIVFOHVYXAQB-UYRXBGFRSA-N 332.429 2.803 30 40 EFEB Cc1ccc(S(=O)(=O)[C@H]2[C@@H](c3ccccc3)[C@]2(C#N)C=O)cc1 218043346 BZJSWOFGLCEHBZ-SQNIBIBYSA-N 325.389 2.644 30 40 EFEB CCCc1ccc(S(=O)(=O)/N=C(\O)[C@@H]2C[C@@H]2c2cnn(C)c2)cc1 78556469 MOWKTIBQOBJVBI-HZPDHXFCSA-N 347.440 2.822 30 40 EFEB CC(C)(C)OC(=O)NC/C(O)=N/c1nc(-c2ccccc2F)n[nH]1 71890764 CJMBOLZQHRRABM-UHFFFAOYSA-N 335.339 2.724 30 40 EFEB COc1cc(/C=N/c2cccc(N(C)S(C)(=O)=O)c2)ccc1O 19855649 MSXFNEWULBNYQM-GZTJUZNOSA-N 334.397 2.547 30 40 EFEB CCCCNC(=O)[C@@H](C)N1CCC(Nc2ccccc2C#N)CC1 585116458 XEFQLKKWCWQJGW-OAHLLOKOSA-N 328.460 2.739 30 40 EFEB C[C@H](Cc1ccc2ccccc2c1)NS(=O)(=O)CC1(C#N)CC1 96503190 GTBJTYRAKQZNPM-CQSZACIVSA-N 328.437 2.994 30 40 EFEB COC(=O)N(C)CC(=O)[C@@H](C#N)c1ncc(C(F)(F)F)cc1Cl 58280389 QDVAZNPHILLJGU-MRVPVSSYSA-N 349.696 2.628 30 40 EFEB N#Cc1c(F)cccc1NCCNC(=O)COc1ccccc1Cl 36393122 VVYDHTLYVVHCHS-UHFFFAOYSA-N 347.777 2.958 30 40 EFEB CCN(C[C@@H](C)C#N)C(=O)c1csc(I)c1 69665854 MOLNMYBFBABWKN-QMMMGPOBSA-N 348.209 2.974 30 40 EFEB O=C(/N=C1/NCCS1)[C@H]1C[C@H]1c1ccccc1Br 65522769 MDDRYIUGKFEPKV-UWVGGRQHSA-N 325.231 2.772 30 40 EFEB CC/N=C(\NCC)NCc1ccc(N2C[C@H](C)O[C@H](C)C2)c(F)c1 66243624 QAIOVCAQZFAJAW-OKILXGFUSA-N 336.455 2.514 30 40 EFEB CN1CCN(/C=N/c2sc3c(c2C#N)CC(C)(C)NC3(C)C)CC1 4994655 XZYJVXLRQLSGEW-UDWIEESQSA-N 345.516 2.686 30 40 EFEB C=CCOc1cccc(/C=N/N2C(=O)[C@@H]3[C@H]4C=C[C@@H]([C@@H]5C[C@@H]45)[C@H]3C2=O)c1 408592121 XRMLVSOWGAXNIJ-VBQMLQIWSA-N 348.402 2.638 30 40 EFEB N#Cc1ccnc(N2CCC[C@@H](NCc3ccccc3)C2)c1[N+](=O)[O-] 96472299 COWVQIYLNWXBFF-MRXNPFEDSA-N 337.383 2.620 30 40 EFEB CC(C)CNC(=O)N1CCC[C@H](CC(=O)[C@@H](C#N)c2ccccn2)C1 96422134 JWRHPOKLSCTLGG-CVEARBPZSA-N 342.443 2.726 30 40 EFEB Cc1ccc(Br)cc1CNC(=O)Nc1nn(C)cc1C#N 615253029 BMBFJJDEEDMVJX-UHFFFAOYSA-N 348.204 2.684 30 40 EFEB N#Cc1nc([C@H]2C[C@H]2c2ccccc2)oc1NCCN1CCOCC1 96345998 ZLHNFKOGKNTSHL-HOTGVXAUSA-N 338.411 2.561 30 40 EFEB C#CCN1CCC(C(=O)N2CCCc3c(C)ccc(OC)c32)CC1 67842183 QSHZCJWBVKGTAR-UHFFFAOYSA-N 326.440 2.628 30 40 EFEB CCCCCCC(=O)N(O)[C@@H]1CC(=O)N(Cc2ccccc2)C1=O 2409238 KEOOBVCBTPKRJN-OAHLLOKOSA-N 332.400 2.502 30 40 EFEB aggregator Cc1ccc(/C(N)=N/OCC(=O)N[C@@H](C)[C@H]2C[C@@H]3CC[C@@H]2C3)cc1 102887341 KAXVZJQZATYJGL-XOSAIJSUSA-N 329.444 2.573 30 40 EFEB O=C[C@H]1O[C@H](c2ccccc2)O[C@H]2CO[C@H](c3ccccc3)O[C@H]12 55174936 FGRMUZCQGRXUEH-LFDJNIOPSA-N 326.348 2.782 30 40 EFEB C#Cc1cccc(N(C(C)C)S(=O)(=O)c2ncn(C)c2Cl)c1 68920772 SCWZOCDLCLABLS-UHFFFAOYSA-N 337.832 2.659 30 40 EFEB CCCc1ccc(C(=O)[C@@H](C#N)C(=O)c2cnn3cccnc23)cc1 103259703 IEMWUGMTPSINPJ-OAHLLOKOSA-N 332.363 2.887 30 40 EFEB CCS(=O)(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1 29601335 FNELCQKVGDYOFD-UHFFFAOYSA-N 329.381 2.572 30 40 EFEB N#Cc1ccc(OCC(=O)NCCc2coc(-c3ccccc3)n2)cc1 58331692 NDWAJKCGHGELPY-UHFFFAOYSA-N 347.374 2.951 30 40 EFEB C=CCNC(=O)[C@@H](C#N)c1nc2ccccc2nc1N1CCC(C)CC1 2319614 BMUPVDUIDKBZHT-HNNXBMFYSA-N 349.438 2.775 30 40 EFEB CCc1cc(N2CCN(C(C)=O)CC2)n2c(nc3ccccc32)c1C#N 5269173 BNMFKEGSANXQSP-UHFFFAOYSA-N 347.422 2.590 30 40 EFEB O=C1CS/C(=N\S(=O)(=O)c2ccccc2)N1Cc1ccccc1 5417750 GMAPCKCCWKLAES-MSUUIHNZSA-N 346.433 2.507 30 40 EFEB N#Cc1ccc(N2CCN(C(=O)[C@H]3CCCc4ccccc43)CC2)nc1 71820638 OOFPYDAKSLWMJD-IBGZPJMESA-N 346.434 2.722 30 40 EFEB COc1ccc(NC(=O)c2ccc(C#N)cn2)cc1Br 72281012 LMRGMIAVRUYHOV-UHFFFAOYSA-N 332.157 2.977 30 40 EFEB Cn1cc(C#N)cc1C(=O)NCc1cccc(OCC(F)(F)F)c1 75106988 WHLYMKVWGFKHQN-UHFFFAOYSA-N 337.301 2.768 30 40 EFEB C=CCOc1ccc(NC(=O)C(=O)NCc2cccc(OC)c2)cc1 408709583 UKYCQJJSJQNHLV-UHFFFAOYSA-N 340.379 2.515 30 40 EFEB Cc1ccc(S(=O)(=O)[C@H]2[C@H](c3ccccc3)[C@]2(C#N)C=O)cc1 218043505 BZJSWOFGLCEHBZ-BZSNNMDCSA-N 325.389 2.644 30 40 EFEB C[C@@H]1CCCC[C@@H]1OCCNS(=O)(=O)Cc1cccc(C#N)c1 79269009 RGPIONXSEOUKLR-PBHICJAKSA-N 336.457 2.573 30 40 EFEB CN(C[C@@H](O)C1CC1)C(=O)Nc1cccc(C#Cc2ccccn2)c1 79804048 AIJCYFBTDJQFKQ-LJQANCHMSA-N 335.407 2.716 30 40 EFEB Cc1ccc(S(=O)(=O)[C@H]2[C@@H](c3cccc(F)c3)[C@]2(C#N)C=O)cc1 218570028 RNWORIGFUVXEMI-SQNIBIBYSA-N 343.379 2.783 30 40 EFEB C[C@@H](Oc1cccc2ccccc12)C(=O)Nc1nc(C#N)c(C#N)[nH]1 193178121 OJPHKSXCKDBJAS-LLVKDONJSA-N 331.335 2.712 30 40 EFEB Cc1nn(C)cc1CCC(=O)N(C)c1cc(C#N)c2ccccc2n1 96446733 HEFHAZDSHPYIIB-UHFFFAOYSA-N 333.395 2.744 30 40 EFEB Cc1ccc(C(=O)N2CCN(c3cc(C#N)nc4ccccc34)CC2)o1 96429355 WEMGFWQADXHINV-UHFFFAOYSA-N 346.390 2.970 30 40 EFEB COC[C@]1(C#N)[C@@H](c2ccc(F)cc2)[C@H]1S(=O)(=O)c1ccccc1 242538659 JAPSKVJVPSFZDR-RCCFBDPRSA-N 345.395 2.922 30 40 EFEB COc1ccccc1OCC#CCNC(=O)Cn1ccc2ccccc21 90610324 CDJWABQUXXIBNO-UHFFFAOYSA-N 348.402 2.849 30 40 EFEB N#Cc1ncccc1N1CC[C@@H](Oc2ccncc2Br)C1 1776008703 MZANUDIMNJGMCX-LLVKDONJSA-N 345.200 2.768 30 40 EFEB CCn1cc(C(=O)[C@@H](C#N)C(=O)Nc2cc(Cl)ccc2C)cn1 101137847 QRNNTCFQRDEIEU-CYBMUJFWSA-N 330.775 2.826 30 40 EFEB CC(C)[C@@H]1O[C@@]2(C)OC3=NC(=N)[C@](C#N)([C@@H]2c2ccccc2)[C@@]31C#N 4425602 ZGAYWLBTBNDYAN-QYESJMSASA-N 334.379 2.981 30 40 EFEB N#Cc1ccc(N2CCCN(C(=O)COC3CCCC3)CC2)cc1 53211619 UIVXRACADQKEOD-UHFFFAOYSA-N 327.428 2.556 30 40 EFEB C[C@@H]1C[C@H]1C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCCCN2)cc1 8209419 LICIJADIIFNCQL-IUODEOHRSA-N 349.456 2.532 30 40 EFEB C#Cc1cccc(N(Cc2ccccc2)C(=O)CS(=O)(=O)CC)c1 70007424 LRWXFEZATGRGDT-UHFFFAOYSA-N 341.432 2.636 30 40 EFEB N#C[C@@H]1C(=O)N=C2Nc3ccccc3N2[C@H]1c1cccc([N+](=O)[O-])c1 20637794 GYPHVSSUEGKJIZ-WFASDCNBSA-N 333.307 2.604 30 40 EFEB Cc1cc(=O)[nH]c(SCC(=O)Nc2ccc3c(c2)CCC3)c1C#N 8391722 DDAZDPBHFZNLMW-UHFFFAOYSA-N 339.420 2.775 30 40 EFEB COc1ccc(N2C[C@@H](C(=O)Nc3ccccc3C#N)CC2=O)cc1 5060875 JQCOXEMGLWLODK-AWEZNQCLSA-N 335.363 2.558 30 40 EFEB N#Cc1ccc(SCC2=NS(=O)(=O)c3ccccc3N2)cc1 69809478 MZKXEDLVIULDOL-UHFFFAOYSA-N 329.406 2.863 30 40 EFEB CCc1ccc(OC/C(O)=N/c2ncn[nH]2)c(Br)c1 4833741 LAMPPSNGZPUTBL-UHFFFAOYSA-N 325.166 2.797 30 40 EFEB CC(C)n1cc(C#N)c(NC(=O)Nc2c[nH]nc2-c2ccccn2)n1 96000110 VVYPUHADFJLXTA-UHFFFAOYSA-N 336.359 2.765 30 40 EFEB CC(=O)c1ccc(C#N)c(NC[C@@H]2C[C@@H](O)CN2Cc2ccccc2)c1 97109496 ZRKDYNCEULVHNE-VQTJNVASSA-N 349.434 2.808 30 40 EFEB 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N#CCCN(CC(=O)Nc1ccc(C#N)c(Cl)c1)C1CCOCC1 69975600 MUYCAFUYFUXICU-UHFFFAOYSA-N 346.818 2.545 30 40 EFEB CNC(=O)CN1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@H]1C 9483199 MMIYGIBJBKEQRT-GFCCVEGCSA-N 327.428 2.696 30 40 EFEB Cc1c(CNc2ccc(S(N)(=O)=O)cc2C#N)oc2ccccc12 78261927 VTBDOGJNQDNBSC-UHFFFAOYSA-N 341.392 2.872 30 40 EFEB C[C@H](OC(=O)C1CCN(c2cnccn2)CC1)c1ccc(C#N)cc1 96451152 AGKXKOREWMQGQS-AWEZNQCLSA-N 336.395 2.869 30 40 EFEB CCOCC1CCN(S(=O)(=O)c2ccc(Cl)cc2C#N)CC1 96428007 TYZFXWMVOFGVOZ-UHFFFAOYSA-N 342.848 2.649 30 40 EFEB C[C@@H](c1nc2ccc(Cl)cc2[nH]1)N(C)S(=O)(=O)CCCC#N 585115192 QLJQTAPRYXLWHA-JTQLQIEISA-N 340.836 2.843 30 40 EFEB Cc1ccc(C(=O)NCc2ccco2)cc1B1OC(C)(C)C(C)(C)O1 169810018 WHQXGKHYUXYABR-UHFFFAOYSA-N 341.216 2.817 30 40 EFEB CC(C)NC(=O)[C@H](C#N)C(=O)[C@H](C)Oc1ccccc1C(F)(F)F 100730467 GOGCLLQBMAKKSG-WDEREUQCSA-N 342.317 2.706 30 40 EFEB CC(=O)c1c(O)c(C)c(O)c2c1OC1=CC(=O)c3c(C)noc3[C@@]12C 2027937 KDNCALBKVMSFES-SFHVURJKSA-N 341.319 2.684 30 40 EFEB 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C=CCN/C(S)=N\Nc1ncnc2sc3c(c12)CC(C)(C)OC3 8666919 VJIRCRKQYDKTDT-UHFFFAOYSA-N 349.485 2.931 30 40 EFEB C=C(C)CN1CCC(NC(=O)N(C)Cc2ccc(OC)cc2)CC1 71879955 QEINUBFXPYRXBD-UHFFFAOYSA-N 331.460 2.877 30 40 EFEB C=CC/N=C(\NCC[C@@H](CC)N1CCCC1=O)NCc1cccs1 75583384 YFKFWJVLCSHPIM-OAHLLOKOSA-N 348.516 2.760 30 40 EFEB CNC(=O)[C@H]1CCCN(c2c(C#N)cnc3ccc(Cl)cc23)C1 72302108 HBXRFNAGQKJMCN-NSHDSACASA-N 328.803 2.722 30 40 EFEB CC[C@@](O)(CNc1nccnc1C#N)c1ccc(Br)cc1 95415068 SRLHKIRXBVHZJB-OAHLLOKOSA-N 347.216 2.820 30 40 EFEB C[C@@H]1CCC[C@H](CCN(C)C)N1S(=O)(=O)c1ccsc1C#N 1614994315 FTJTZTWSCDYNJQ-CHWSQXEVSA-N 341.502 2.503 30 40 EFEB O=C1[C@H]2[C@@H]3C=C[C@@H]([C@@H]2C(=O)N1/N=C/c1c[nH]c2ccccc12)[C@@H]1C[C@H]31 169305923 KHLAISZHHLNBQU-IVEVPLLNSA-N 331.375 2.555 30 40 EFEB CN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@@H]1c1ccc([N+](=O)[O-])cc1 6198716 NRXMEFAPUHIVNK-HNNXBMFYSA-N 338.319 2.803 30 40 EFEB C#CCN1CCC(C(=O)Nc2cccc(-n3nc(C)cc3C)c2)CC1 69580629 XTOPOFSRXWCURB-UHFFFAOYSA-N 336.439 2.773 30 40 EFEB CN(C)C(=O)CNc1ccc(OCc2cccc(C#N)c2)c(F)c1 69570736 UTHKGQFOSCYLIH-UHFFFAOYSA-N 327.359 2.776 30 40 EFEB CCn1c(C)nnc1SCC(=O)Nc1cc(Cl)ccc1C#N 20034198 SHBOZZVCTABURL-UHFFFAOYSA-N 335.820 2.862 30 40 EFEB N#CCN(Cc1ccccc1)C(=O)c1cccc(CN2CCOCC2)c1 69419694 IGDJTDUZKMXKKS-UHFFFAOYSA-N 349.434 2.685 30 40 EFEB C[C@@H]1CCc2c(sc(=O)n2CN(C)Cc2cccc(C#N)c2)C1 69700723 LVKAVURDJAQNTP-CYBMUJFWSA-N 327.453 2.996 30 40 EFEB C[C@@H]1Cc2ccccc2N1C(=O)c1ccc(-n2ncc(C#N)c2N)cc1 66240083 RBSTYJAINZKSTA-CYBMUJFWSA-N 343.390 2.918 30 40 EFEB C[C@@H]1C[C@@H](C)CN(C(=O)NC2CCN(c3ccc(C#N)cn3)CC2)C1 67470278 INVKQDQIYPUNHI-HUUCEWRRSA-N 341.459 2.610 30 40 EFEB CCN1C[C@@H](CN(C)C(=O)c2ccc(C#N)cc2)Oc2ccccc21 7257031 MLXUAHDFJAGFIL-QGZVFWFLSA-N 335.407 2.918 30 40 EFEB C=CC1(CC(=O)NCC[C@H](C)NC(=O)[C@H](CC)OC)CCCCC1 1077331239 QVKCYJTWPYMZDQ-HOTGVXAUSA-N 338.492 2.949 30 40 EFEB CC(C)(C)C(=O)N1CCCN(CCOc2ccccc2C#N)CC1 67229845 OWMKTUKVBFBSSK-UHFFFAOYSA-N 329.444 2.517 30 40 EFEB O=C1CS/C(=N/S(=O)(=O)c2cccs2)N1C1CCCCC1 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PTXSXZYJBXUNTQ-XXFAHNHDSA-N 339.355 2.763 30 40 EFEB C=CCn1c(COc2ccccc2F)nnc1S[C@@H]1CCOC1=O 6609808 AVSJUTSTGZOANG-CYBMUJFWSA-N 349.387 2.590 30 40 EFEB CC(=O)[C@H]1CC(C(=O)N(C)c2cccc(C#N)c2)=NN1c1ccccc1 60347502 BYAILSHUGBAEKF-LJQANCHMSA-N 346.390 2.745 30 40 EFEB Cc1nn(C)c(C)c1/C(O)=N/S(=O)(=O)Cc1ccccc1Cl 83791993 KMMGCOXOFUUPAO-UHFFFAOYSA-N 341.820 2.525 30 40 EFEB CCCS(=O)(=O)/N=C(\O)Cc1ccc(Br)cc1C 97141037 UDPPYAJXOYAYSX-UHFFFAOYSA-N 334.235 2.996 30 40 EFEB N#Cc1ccccc1NC(=O)CSc1cc(N2CCCC2)ncn1 49006676 RUZZIEHFWNSTOG-UHFFFAOYSA-N 339.424 2.679 30 40 EFEB O=S(=O)(Cc1ccc(F)cc1)/N=C(\O)c1scnc1C1CC1 97230087 ZOUVMAHLNFKQHZ-UHFFFAOYSA-N 340.401 2.994 30 40 EFEB COC(=O)c1cccc(NC2CCN(c3cnccc3C#N)CC2)c1 91744743 HHIWGTIAJDBECY-UHFFFAOYSA-N 336.395 2.821 30 40 EFEB CCc1ccc(C(=O)O)cc1S(=O)(=O)Nc1ccc(C#N)cc1 45945455 AEZFKXFYANGPOS-UHFFFAOYSA-N 330.365 2.620 30 40 EFEB N#Cc1ccc(OCC(=O)O)cc1-c1ccc(O[C@H]2CCOC2)cc1 580214364 SVNLFMVQTIXKOY-KRWDZBQOSA-N 339.347 2.856 30 40 EFEB O=S(=O)(/N=C(/N=c1cc[nH]cc1)c1ccccc1)c1ccccc1 12492372 TVXCMDCITOQWGO-UHFFFAOYSA-N 337.404 2.751 30 40 EFEB COc1cccc(/C=N/c2cccc(N(C)S(C)(=O)=O)c2)c1O 19855748 REEDTMMPYDEMKA-GZTJUZNOSA-N 334.397 2.547 30 40 EFEB C=CCCC(=O)N1CCC(Oc2ncc(Br)cn2)CC1 1888843050 MEPFIOPDZMUSKT-UHFFFAOYSA-N 340.221 2.575 30 40 EFEB Cc1ccc(OC[C@H]2CCN(c3ncc(C#N)cc3Cl)C2)nn1 2087124860 GVWLMYBLAQIKKE-LBPRGKRZSA-N 329.791 2.610 30 40 EFEB Cc1ccccc1CC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 47010434 XAGRKNNWIMKZCW-UHFFFAOYSA-N 335.451 3.000 30 40 EFEB Cc1cccc(NC(=O)N2CCN(C(=O)c3cccc(C#N)c3)CC2)c1 58313335 BCSBLRWSXDOWSO-UHFFFAOYSA-N 348.406 2.857 30 40 EFEB C[C@@H](NC(=O)CO/N=C(\N)c1ccccc1Cl)c1ccccc1 6549752 MDBCDKQMWDFWGH-GFCCVEGCSA-N 331.803 2.854 30 40 EFEB C[C@H]1CC(=O)c2c(OCC(=O)NC3(C#N)CCCC3)ccc(F)c21 8748018 NNBHFXLUGNKJBP-NSHDSACASA-N 330.359 2.847 30 40 EFEB C[C@@H](Oc1ccccc1C#N)C(=O)N1CCCC[C@@H]1Cn1cccn1 71865216 WOYVYBODEPKMEA-NVXWUHKLSA-N 338.411 2.603 30 40 EFEB CS(=O)(=O)OCCCCCCCCCCCN1CCOCC1 5519520 VVIJYNRPAVUNET-UHFFFAOYSA-N 335.510 2.806 30 40 EFEB N#Cc1ccc(NC(=O)COC(=O)COc2cccc(Cl)c2)cc1 5802402 ZJGUSJYNWWHZEE-UHFFFAOYSA-N 344.754 2.772 30 40 EFEB COc1ccc([C@@H](C#N)NC(=O)Cc2ccc(F)c(F)c2)c(OC)c1 87303482 UFNBRVZJEDPPEW-MRXNPFEDSA-N 346.333 2.906 30 40 EFEB Cc1ccc(SCC(=O)OCC(=O)NC2(C#N)CCCCC2)cc1 9213286 SZLGBYLPQVHDDV-UHFFFAOYSA-N 346.452 2.973 30 40 EFEB N#Cc1ccc(C(=O)Nc2cccc(-c3nnnn3C3CC3)c2)cc1 9709714 OECLEPWMRGNKIF-UHFFFAOYSA-N 330.351 2.799 30 40 EFEB C#CCOc1cc(F)ccc1NC(=O)[C@@H]1CCCN(C(=O)OCC)C1 72295527 ZBBYIKPRXXBSEU-CYBMUJFWSA-N 348.374 2.645 30 40 EFEB O=[N+]([O-])c1ccc(N/N=C\c2ccc(O)c([N+](=O)[O-])c2)c([N+](=O)[O-])c1 408935062 GGNUCUWNMLYDPS-AUWJEWJLSA-N 347.243 2.563 30 40 EFEB C=CCNC(=O)c1ccccc1NC(=O)c1csc2cncn12 72283605 WFOUPXCOGJELGM-UHFFFAOYSA-N 326.381 2.564 30 40 EFEB N#Cc1cccc(/C=C/C(=O)N[C@H](CC(N)=O)C2CCCCC2)c1 72310464 DGTXZTPUOJCEAD-OAGJVSPASA-N 325.412 2.512 30 40 EFEB Cc1ccc(C(=O)N[C@@]2(C#N)CCSC2)cc1Br 78974313 QULDXYDTEJIIMC-CYBMUJFWSA-N 325.231 2.887 30 40 EFEB CC(=O)c1ccc(C#N)cc1N1CCC[C@@H](Cn2nc(C)nc2C)C1 95469196 UEXMHRGHAQPENO-QGZVFWFLSA-N 337.427 2.886 30 40 EFEB Cc1ccc(S(=O)(=O)/N=C(\O)Cn2ncc3ccccc32)c(F)c1 75040179 MDQZHLFICWLXQK-UHFFFAOYSA-N 347.371 2.829 30 40 EFEB O=C(NCC#CCN1CCc2ccccc2C1)Nc1cccs1 75165061 HILPUALYESLOFD-UHFFFAOYSA-N 325.437 2.931 30 40 EFEB COc1cccc(C(=O)N2CCC(Oc3ncccc3C#N)CC2)c1 96102853 YCDRNGIAEDMQHY-UHFFFAOYSA-N 337.379 2.645 30 40 EFEB C[C@H]1CO[C@H](C)CN1C(=O)c1ccc(COc2ccc(C#N)cc2)o1 69416913 UZJUXEREQYLUCK-UONOGXRCSA-N 340.379 2.980 30 40 EFEB O=S(=O)(/N=C(\O)[C@@H]1COc2ccccc21)c1ccc2c(c1)CCC2 73087451 CXRBIXQHIGZWFY-MRXNPFEDSA-N 343.404 2.997 30 40 EFEB Cc1cc(C)n(CC(=O)Nc2ccc(F)c(Cl)c2)c(=O)c1C#N 3029862 YPMUVTLJIADFAL-UHFFFAOYSA-N 333.750 2.768 30 40 EFEB COc1cc(C#N)cc(Cl)c1OC(=O)CCNC(=O)c1ccco1 24042789 XRFONLJNQUMLBA-UHFFFAOYSA-N 348.742 2.539 30 40 EFEB Cn1cc(/C=N/N2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3CC2)c2ccccc21 409173959 QGCXUSQWQDUSBA-ZRFBJPMCSA-N 333.391 2.709 30 40 EFEB Cc1ccc(OCc2cccc(C#N)c2)c(S(=O)(=O)N(C)C)c1 48325369 KKYKBZWXNTXXNB-UHFFFAOYSA-N 330.409 2.696 30 40 EFEB CC(C)[C@@](C)(C#N)NC(=O)CNc1c(F)cccc1N1CCCC1 69654534 JOCXZSZEJVFDPC-GOSISDBHSA-N 332.423 2.892 30 40 EFEB N#CCN1CCC(CNC(=O)[C@H]2C[C@]23CCCc2ccccc23)CC1 95406957 KDNHVJJZRVFAIF-CTNGQTDRSA-N 337.467 2.632 30 40 EFEB Cc1cc(C)nc([C@H](C#N)C(=O)c2ccnc(OCC(F)F)c2)n1 95443081 WQMODIVRIQSHRS-GFCCVEGCSA-N 332.310 2.622 30 40 EFEB C[C@@H](C(=O)NC1(C#N)CCCCC1)N1CCC2(CCOCC2)[C@H]1C 375242875 RJSHBEOWVAFLGM-JKSUJKDBSA-N 333.476 2.609 30 40 EFEB O=[N+]([O-])[C@H]1C[C@H]1/C(O)=N/S(=O)(=O)c1ccc(-c2ccccc2)cc1 78989174 HRPJCARKKAZIOU-CABCVRRESA-N 346.364 2.664 30 40 EFEB COc1cc(/C=N/N2C(=O)CSC2=S)ccc1OCC(C)C 138025417 LFNLLEHUSYTFBH-FRKPEAEDSA-N 338.454 2.924 30 40 EFEB CN(C(=O)CSCC#N)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O 190436854 HEGMUBVEOAIYKE-TZMCWYRMSA-N 345.251 2.667 30 40 EFEB N#C[C@@H](C(=O)CC1CCCC1)c1nc(N)nc(Nc2ccccc2)n1 65609440 LBLGUXWWWHOVOT-AWEZNQCLSA-N 336.399 2.954 30 40 EFEB C/C(=N\Nc1cc(N2CCOCC2)nc(C)n1)c1ccc(F)cc1 5003241 XEMBTCUNACMZFD-CIAFOILYSA-N 329.379 2.597 30 40 EFEB COC(=O)COc1ccc(/C=N/Nc2nc3ccccc3n2C)cc1 7343328 LXTVIEYDMHPTRQ-YBFXNURJSA-N 338.367 2.571 30 40 EFEB Cc1ccc(N2CCN(c3nc4ccccc4cc3C#N)CC2)nn1 1889149366 UWYFNGFIRHUIMR-UHFFFAOYSA-N 330.395 2.532 30 40 EFEB N#Cc1c(F)cccc1N1CCN(C(=O)c2cc(C3CC3)on2)CC1 26021956 DEEHRLYPBHVTFH-UHFFFAOYSA-N 340.358 2.525 30 40 EFEB CC1(C)CC(=O)C2=C(C1)Nc1nonc1N[C@H]2c1cccc(O)c1 7010032 FNJKOLJIYKPGRY-AWEZNQCLSA-N 326.356 2.997 30 40 EFEB Cc1ccc(OCCC(=O)OCC(=O)Nc2cccc(C#N)c2)cc1 2633492 AXQSUVXFAXUMJQ-UHFFFAOYSA-N 338.363 2.818 30 40 EFEB CCCOc1ccc(-c2nc(C(=O)[C@H](C#N)C(=O)NC)cs2)cc1 102769065 TUAODPIUOKDRLX-ZDUSSCGKSA-N 343.408 2.667 30 40 EFEB N#CC1(C#N)[C@@H](c2ccccn2)O[C@@]23CCCC[C@@H]2[C@@]1(C#N)C(=N)O3 102717668 OTQRLNCCPUJYEO-KJWYOANISA-N 333.351 2.590 30 40 EFEB N#Cc1ccnc(N2CCN(C(=O)NCCC3=CCCCC3)CC2)c1 42837196 KGTNJCMNXFNXSJ-UHFFFAOYSA-N 339.443 2.675 30 40 EFEB C=C[C@H](c1ccccc1)c1c(C(=O)OC)c2n(c(=O)c1O)CCC2 26897282 FBLXPDAERHDJJW-CYBMUJFWSA-N 325.364 2.605 30 40 EFEB C/N=C(/NC[C@@H]1CCOC1)N(C)Cc1ccc(C(F)(F)F)cc1 114086163 YANLRUGRQRINBC-ZDUSSCGKSA-N 329.366 2.749 30 40 EFEB Cc1nc(C#N)c(NC[C@H](c2ccccc2Cl)N2CCOCC2)o1 27792957 GHUGIKIGCJXHNA-MRXNPFEDSA-N 346.818 2.994 30 40 EFEB N#Cc1ccc(NC(=O)CCSc2nnnn2C2CCCC2)cc1 12758278 HMHKPDXBZAZKFM-UHFFFAOYSA-N 342.428 2.781 30 40 EFEB CCOc1cc(C#N)ccc1OCC(=O)N1CCc2sccc2C1 12928451 JNQCPWJUGINUEP-UHFFFAOYSA-N 342.420 2.982 30 40 EFEB N#C[C@H](c1ccc(O)cc1)N1CCN([C@@H](C#N)c2ccc(O)cc2)CC1 20413680 FBVIADFSDASDEA-BGYRXZFFSA-N 348.406 2.545 30 40 EFEB COC(=O)CC/C(=N/Nc1ccc(Cl)c(Cl)c1)C(=O)OC 13133421 GMTZVTRWAJAHCU-BOPFTXTBSA-N 333.171 2.888 30 40 EFEB CCOCCCC(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2F)C1 68532124 RWQRKURLRIFZQB-OAHLLOKOSA-N 333.407 2.599 30 40 EFEB Cc1ccc(C)c(OCC(=O)OCC(=O)Nc2cccc(C#N)c2)c1 7800284 FEYBDRGAQXRLRG-UHFFFAOYSA-N 338.363 2.736 30 40 EFEB N#Cc1c(N)sc2c1CCN(c1ncnc3cc(F)c(F)cc13)C2 71913857 SQTBQHXIRZZNPS-UHFFFAOYSA-N 343.362 2.986 30 40 EFEB C[C@H](Nc1ccn(CC(F)(F)F)n1)C(=O)NC1(C#N)CCCCC1 97148567 PXIZJWJNSDPLIA-NSHDSACASA-N 343.353 2.588 30 40 EFEB Cc1nc(C2(NC(=O)NCc3cc(C#N)ccc3F)CCCC2)no1 74798162 CZKWCDKTTZNPCE-UHFFFAOYSA-N 343.362 2.658 30 40 EFEB O=C(C#Cc1ccccc1)OCCCCOC(=O)C#Cc1ccccc1 3851687 VZCLHOGJDYXQAC-UHFFFAOYSA-N 346.382 2.956 30 40 EFEB biogenic COc1cccc(N2CCN(c3ncc(C#N)cc3Cl)CC2)c1 339229206 DMTMWUIKJBRPBP-UHFFFAOYSA-N 328.803 2.942 30 40 EFEB Cn1cc(N2CC[C@@H](Nc3ccc(C(F)(F)F)c(C#N)c3)C2=O)cn1 97379243 SVTMWPJVUPTBOU-CQSZACIVSA-N 349.316 2.528 30 40 EFEB N#Cc1ccc(OC[C@@H](O)Cn2ccc(-c3ccsc3)n2)cc1 95438822 DKJVOGGMRYKUAI-HNNXBMFYSA-N 325.393 2.923 30 40 EFEB C=CCC1(CC=C)CCN1C(=O)[C@]1(C)CC(=O)N=C2C=C(C)C=CN21 12239258 LVCSSMZPURFFNE-IBGZPJMESA-N 339.439 2.973 30 40 EFEB Cc1ccc(CN(C)C)cc1NS(=O)(=O)c1ccc(C#N)cc1F 154048912 AOAIIMNLLDBWTO-UHFFFAOYSA-N 347.415 2.868 30 40 EFEB CN(CCn1c(=O)oc2ccccc21)Cc1cc(C#N)ccc1F 30209469 WBHJOCYQGYVPFJ-UHFFFAOYSA-N 325.343 2.737 30 40 EFEB N#Cc1ccc(NC(=O)CSc2nc(-c3ccccc3)cn2N)cc1 8135733 MIODHDDNODMHBB-UHFFFAOYSA-N 349.419 2.866 30 40 EFEB N#Cc1ccc([C@@H](c2nnnn2Cc2ccccc2)N2CCCC2)cc1 57710392 AZZOGALLYLRCGS-IBGZPJMESA-N 344.422 2.778 30 40 EFEB CCCNc1ccc(C#N)cc1NC(=O)[C@@H](C)Sc1nncn1C 76042067 DSFNCPXFCCXNJJ-LLVKDONJSA-N 344.444 2.628 30 40 EFEB N#Cc1cccnc1NCCNC(=O)c1[nH]c2ccccc2c1Cl 58225076 WPVSLATYGQHFHO-UHFFFAOYSA-N 339.786 2.930 30 40 EFEB CC(C)CNC(=O)NC(=O)CNc1ccccc1SC[C@H](C)C#N 69697840 DCDYSOMVRVMUIC-CYBMUJFWSA-N 348.472 2.832 30 40 EFEB CSc1ccc(N2C[C@H](C(=O)N(C)C3(C#N)CCC3)CC2=O)cc1 48302721 IMWFNHIUMMHAIC-CYBMUJFWSA-N 343.452 2.666 30 40 EFEB CC(=O)C1=C(C)Nc2ncnn2[C@H]1c1ccc(Br)cc1 13122368 KXEGXFPJYMLUGL-ZDUSSCGKSA-N 333.189 2.919 30 40 EFEB COc1ccccc1N1CC[C@@H](CNc2nnc(C)c(C)c2C#N)C1 69388798 SOCRIYBZDIYASE-HNNXBMFYSA-N 337.427 2.912 30 40 EFEB COc1cccc([C@H]2C3=C(CCCC3=O)Nc3[nH]nc(O)c32)c1OC 18195521 FIVYUSRGAXYYHG-ZDUSSCGKSA-N 341.367 2.697 30 40 EFEB Cc1ccc(N=C[C@@H]2C(=O)NC(=O)N(c3ccccc3C)C2=O)cc1 408527575 OVUJDOLXWYPIJH-OAHLLOKOSA-N 335.363 2.905 30 40 EFEB Cc1nn(-c2ccc(O)nn2)c2c1[C@H](c1ccc(C#N)cc1)CC(O)=N2 31819071 BYDRLRWKIRGAQR-ZDUSSCGKSA-N 346.350 2.672 30 40 EFEB N#C[C@]1(CO)[C@H](c2ccc(Cl)cc2)[C@@H]1S(=O)(=O)c1ccccc1 218364576 MLXAEWBNVQSIAH-IKGGRYGDSA-N 347.823 2.782 30 40 EFEB COc1ccc(/C(O)=N/S(=O)(=O)CCc2ccccc2)cc1OC 79330621 LEKWYDPZXWTDRB-UHFFFAOYSA-N 349.408 2.581 30 40 EFEB C=CCCCN(C)S(=O)(=O)c1c(F)cc(NC(C)=O)cc1F 96428104 SGXHNLNEMIKKDG-UHFFFAOYSA-N 332.372 2.510 30 40 EFEB C[C@@H](Oc1ccccc1C#N)C(=O)Nc1cnn(Cc2cccnc2)c1 69814357 ZLZLBXIKSLYPNZ-CQSZACIVSA-N 347.378 2.604 30 40 EFEB CN(c1ccc(Cl)cn1)S(=O)(=O)c1ccc(F)c(C#N)c1 66581962 SBSFPIDIYLIOOJ-UHFFFAOYSA-N 325.752 2.571 30 40 EFEB O=S(=O)(/N=C(\O)[C@H]1C[C@H]1c1ccccc1F)N1CCCCC1 64619261 IONAOWGXQDDYRR-STQMWFEESA-N 326.393 2.616 30 40 EFEB COC(=O)C1=C(N)OC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccccc1 38788 NBNOTWAEVQQITB-AWEZNQCLSA-N 327.380 2.787 30 40 EFEB C[C@H]1CC(=O)Nc2ccccc2N1C(=O)CNc1cccc(C#N)c1 11253524 PZQKAAXJSONOIY-ZDUSSCGKSA-N 334.379 2.734 30 40 EFEB Cn1cc(/C=N/N2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@H]5C[C@H]45)[C@H]3C2=O)c2ccccc21 100237622 UPHRIRMXYZVLDE-SRJWWVNRSA-N 345.402 2.565 30 40 EFEB C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)N1CCOCC1 24113688 AFLILQVYIMBBEJ-GFCCVEGCSA-N 333.457 2.548 30 40 EFEB Cc1cc(C(=O)N2CCCN(c3ncccc3C#N)CC2)sc1C 55740762 ACYQKQZDNIAFLO-UHFFFAOYSA-N 340.452 2.984 30 40 EFEB CCOC(=O)c1cc(C#N)c(SCCCN2CCCC2=O)nc1C 58149063 YIXGPPSUROLKIX-UHFFFAOYSA-N 347.440 2.543 30 40 EFEB CC(C)[C@](C)(C#N)NC(=O)COc1nc(-c2ccccc2Cl)no1 58327306 KAQMCEKFBQUIKJ-INIZCTEOSA-N 348.790 2.823 30 40 EFEB Cc1cnc(C(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)cn1 12950892 DRMYCTMWMUCEHC-UHFFFAOYSA-N 335.392 2.956 30 40 EFEB C#CCOc1ccc(CCNC(=O)N(C)Cc2c(C)noc2C)cc1 65620726 ZUJDKQQJXVVOEC-UHFFFAOYSA-N 341.411 2.688 30 40 EFEB CN/C(=N/Cc1ccc(C)cc1O[C@H]1CCOC1)NCc1ccco1 97014390 IFHNQDYTRCBZBM-KRWDZBQOSA-N 343.427 2.621 30 40 EFEB Cc1nc(NS(=O)(=O)c2ccc(C#N)cc2Cl)cc(C2CC2)n1 97101512 HLLPGGBBCTYCOL-UHFFFAOYSA-N 348.815 2.988 30 40 EFEB N#C[C@H](C(=O)Nc1ccc2c(c1)OCCO2)C(=O)C1[C@H]2CCCC[C@H]12 521339554 CLEQTSLQZLEAIL-IHRRRGAJSA-N 340.379 2.541 30 40 EFEB Cc1ccc(S(=O)(=O)[C@@H]2[C@@H](c3ccc(F)cc3)[C@]2(C#N)C=O)cc1 218560457 GNCCHFLGTJKCIP-KURKYZTESA-N 343.379 2.783 30 40 EFEB CC(C)n1cnc(S(=O)(=O)/N=C(\O)CCc2cccs2)c1 95453444 VZPHJTSZSWYXBD-UHFFFAOYSA-N 327.431 2.804 30 40 EFEB N#Cc1cc(C(F)(F)F)ccc1N1CCC[C@@H]1[C@@H]1COCC[C@@H]1O 583622902 CVKTUHYCFHTBFK-IMJJTQAJSA-N 340.345 2.943 30 40 EFEB O=C(/C=C/c1cccs1)NCC#CCOc1ccc2c(c1)OCO2 90610489 VSOXMJSGKRKGIL-SOFGYWHQSA-N 341.388 2.689 30 40 EFEB CN(C)c1ccc(C(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)cc1 74681905 QYYZGHNZXNHJIA-FQEVSTJZSA-N 348.450 2.603 30 40 EFEB Cc1ccoc1C(=O)[C@H](C#N)C(=O)c1cnn(-c2ccc(F)cc2)n1 101215810 DCNBLJRJMUHLLS-CYBMUJFWSA-N 338.298 2.513 30 40 EFEB N#C[C@@H]1C(=O)N=C2Nc3ccccc3N2[C@@H]1c1cccc([N+](=O)[O-])c1 20637798 GYPHVSSUEGKJIZ-SWLSCSKDSA-N 333.307 2.604 30 40 EFEB Cc1ccc(N(CCC#N)C(=O)c2ccc(-n3cnnn3)cc2)cc1C 69371878 JBORYVQECZIMAB-UHFFFAOYSA-N 346.394 2.840 30 40 EFEB C=CCNC(=O)N1CCC[C@@H](c2nc(-c3cccc(F)c3)no2)C1 69419890 LBZZDHJJBRSCOL-CYBMUJFWSA-N 330.363 2.951 30 40 EFEB C#CCSc1nccc(-c2nn(-c3ccc(C)cc3)ccc2=O)n1 6215377 NGQKVRMZOGAQOP-UHFFFAOYSA-N 334.404 2.723 30 40 EFEB CC(C)[C@H](C)NC(=O)C1CCN(C(=O)Nc2cccc(C#N)c2)CC1 65565042 WXVGFAKFVUXSBG-AWEZNQCLSA-N 342.443 2.963 30 40 EFEB C=CCN1C(=O)C(C)(C)S/C1=N/S(=O)(=O)c1ccc(C)cc1 18168996 GFKDATHCFCTGQP-JQIJEIRASA-N 338.454 2.580 30 40 EFEB CC(=O)Nc1ccc(CCNC(=O)NCc2ccc(C#N)cc2)cc1 71803124 OTFBZNJOEVKZIK-UHFFFAOYSA-N 336.395 2.559 30 40 EFEB Cc1ccccc1-c1nc(C#N)c(NC[C@@H](C)N2CCN(C)CC2)o1 72238487 FQZIOQNXUIFSPQ-OAHLLOKOSA-N 339.443 2.570 30 40 EFEB CCCCCCCNC(=O)[C@H]1CCCN(c2ncnc3[nH]cnc23)C1 97957205 ITFFIRVBUDBJAQ-AWEZNQCLSA-N 344.463 2.656 30 40 EFEB CCC[C@@H]1[C@H](c2ccccc2)C(C#N)(C#N)[C@]2(C#N)C[C@@]1(N)N=C2O 36383736 ULEFGRQKGOPQAF-WXSAJPJJSA-N 333.395 2.759 30 40 EFEB N#Cc1cccc(N[C@H]2CO[C@@]3(CCCN(Cc4ccncc4)C3)C2)n1 96048322 ZNLYYYAVMFWZJG-QUCCMNQESA-N 349.438 2.584 30 40 EFEB N#Cc1ccc(CN2CCC(n3nc(C4CC4)ccc3=O)CC2)cc1 1775966026 PIIUMTNDHGTKDT-UHFFFAOYSA-N 334.423 2.829 30 40 EFEB COc1ccc(OC)c([C@H]2NC(=O)C(O)=C2C(=O)c2ccccc2)c1 6239628 ZGWIHTCFTCGPSR-MRXNPFEDSA-N 339.347 2.570 30 40 EFEB O=C(C[C@H]1S/C(=N/C2CCCCC2)NC1=O)NC1CCCCC1 10474332 JJTHVXCUYQWGRC-CQSZACIVSA-N 337.489 2.746 30 40 EFEB Cc1c(C#N)c(NC(=O)COC(=O)C2CC2)n(C2CCCC2)c1C 12257748 INESSVVGFWUGLU-UHFFFAOYSA-N 329.400 2.983 30 40 EFEB C/N=C(/NC[C@H]1CCOC1)N(C)Cc1ccc(C(F)(F)F)cc1 114086164 YANLRUGRQRINBC-CYBMUJFWSA-N 329.366 2.749 30 40 EFEB Cn1c(SCCOc2ccc(C#N)cc2)nnc1C(F)(F)F 8734207 BGCXIONJPAUAOR-UHFFFAOYSA-N 328.319 2.877 30 40 EFEB N#Cc1ccccc1NC(=O)CCN1CCC(CN2CCCC2)CC1 71185239 HSRXAUKVPGYRBL-UHFFFAOYSA-N 340.471 2.695 30 40 EFEB N#Cc1cnc(N2CCC[C@H](c3nncn3C3CC3)C2)c(Cl)c1 96490440 BSYGFVFFBCDPSV-LBPRGKRZSA-N 328.807 2.917 30 40 EFEB C#CCN1CCCC[C@@H]1C(=O)N1CCS[C@H](c2ccccc2)C1 72287515 WXDVASVSLJUXQA-MSOLQXFVSA-N 328.481 2.791 30 40 EFEB C#CCOc1cccc([C@@H](C)NC(=O)N[C@H](C)c2cnn(C)c2)c1 95962466 BZNLRDHNJYZIMC-ZIAGYGMSSA-N 326.400 2.554 30 40 EFEB C=CCOc1ccc(/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)cc1 408817350 SZULUMKXUADACN-GHRIWEEISA-N 348.358 2.918 30 40 EFEB Cc1sc(NC(=O)[C@]2(C)Oc3ccccc3NC2=O)c(C#N)c1C 41545532 RJXKKBHCLTYZMJ-QGZVFWFLSA-N 341.392 2.965 30 40 EFEB COCCSCC(=O)N[C@H](C#N)c1cccc(Br)c1 69517723 XSKXAKOMLINFAX-GFCCVEGCSA-N 343.246 2.510 30 40 EFEB COc1ccc([C@H](C#N)N2C[C@H]3C[C@H](C2)c2cccc(=O)n2C3)cc1 100746511 POSSUNMJJOKNBO-OGWOLHLISA-N 335.407 2.541 30 40 EFEB biogenic CCNC(=S)N/N=C/c1c(C)nn(Cc2ccc(C)cc2)c1C 7008231 VYXRAONCQXQMIY-VXLYETTFSA-N 329.473 2.675 30 40 EFEB N#Cc1cnc(NCCNC(=O)Cc2cccc(F)c2)c(Cl)c1 69557402 MIUHXXLNODPMOR-UHFFFAOYSA-N 332.766 2.517 30 40 EFEB O=C1C(O)=C/C(=N/c2ccccc2)c2ccc(S(=O)(=O)O)cc21 104250323 GPIKFEYENVWZGU-VKAVYKQESA-N 329.333 2.692 30 40 EFEB Cc1ccccc1CO/N=C(/N)c1cccc(CN2CCOCC2)c1 57990993 YSBSEQXWQOQKQW-UHFFFAOYSA-N 339.439 2.664 30 40 EFEB C#CC(CC)(CC)NC(=O)CSc1nncn1-c1ccccc1 14094881 CRGKYERLRQCNPV-UHFFFAOYSA-N 328.441 2.668 30 40 EFEB CCNC(=O)COc1ccc(/C=C/C(=O)c2ccc(C#N)cc2)cc1 65593071 AGBPXFIKUVZMIR-KPKJPENVSA-N 334.375 2.969 30 40 EFEB COc1ccc(NC(=O)C[C@@H]2S/C(=N\C3CCCC3)NC2=O)cc1 6736588 NYJQZUUNGOEVCY-AWEZNQCLSA-N 347.440 2.554 30 40 EFEB C[C@@H](NC(=O)CO/N=C(\N)c1ccc(Cl)cc1)[C@@H]1C[C@H]2CC[C@H]1C2 110509290 DSFBXIGIVQAVKA-DSPQJCBJSA-N 349.862 2.918 30 40 EFEB N#Cc1ccnc(SC[C@H](O)COc2cccc3[nH]ccc23)c1 84490451 PVCCTSZPNUUSDY-CYBMUJFWSA-N 325.393 2.967 30 40 EFEB C[C@H](NC(=O)NCc1cccc(C#N)c1)c1cn(-c2ccccc2)nn1 84667499 ZDJRIJDBUNWUME-AWEZNQCLSA-N 346.394 2.699 30 40 EFEB C[C@H](C#N)NC(=O)c1coc(-c2ccc(Br)cc2F)n1 95995035 LIDUIWBSXHLPRC-SSDOTTSWSA-N 338.136 2.885 30 40 EFEB COc1ccc(S(=O)(=O)N(C)c2ccc(CC#N)cc2)cc1F 225108050 WBPNOADMHRNCEK-UHFFFAOYSA-N 334.372 2.725 30 40 EFEB CC[C@@H](Nc1cccc(C#N)n1)c1ccccc1OCC(=O)N(C)C 195545983 LTAGRIDGVQOYMA-MRXNPFEDSA-N 338.411 2.983 30 40 EFEB C=C[C@H](O)C#CC#CCCCCCCC/C=C\[C@H](O)COC(C)=O 31162120 QOFRZLPEVGHKCQ-ROPJOTHQSA-N 332.440 2.751 30 40 EFEB biogenic,in-vitro CCOC(=O)/C(C)=N\Nc1cc(Br)ccc1[N+](=O)[O-] 498050785 QSUFTQDQBYCESA-QPEQYQDCSA-N 330.138 2.708 30 40 EFEB O=C(C[C@H]1S/C(=N/c2cccc(O)c2)NC1=O)Nc1ccccc1 5814068 AHZAMNLKDOSLFZ-CQSZACIVSA-N 341.392 2.640 30 40 EFEB N#Cc1ccccc1S(=O)(=O)NC[C@H]1CCCN1c1ccccc1 217867819 IKSANLINNKCJEW-QGZVFWFLSA-N 341.436 2.506 30 40 EFEB C=CCn1c(=O)n2nc(-c3ccncc3)nc2c2c(C)c(C)sc21 31820064 UKKCWDQAIBJACX-UHFFFAOYSA-N 337.408 2.971 30 40 EFEB COc1ccc2[nH]c3c(=O)n(/N=C/c4ccc(F)cc4)cnc3c2c1 503346 IBCGILXAQSVXBQ-ZVBGSRNCSA-N 336.326 2.908 30 40 EFEB N#CC1(C#N)[C@H](C(=O)c2ccc(Cl)cc2)[C@]12CC[C@@H]1CO[C@@H]2O1 100792905 YBGTXIWVFNFQLD-JWDQPFGJSA-N 328.755 2.708 30 40 EFEB Oc1ccc(Br)c(/C=N/n2c(S)nnc2C(F)F)c1 2788892 RFOXNHUFKSEBSH-LNKIKWGQSA-N 349.160 2.855 30 40 EFEB N#C[C@@H](NC(=O)CCCc1ccccn1)c1cnn(-c2ccccc2)c1 71903931 TVWVFTINIWBWES-LJQANCHMSA-N 345.406 2.971 30 40 EFEB N#Cc1ccc(N2CCc3[nH]nc(C(F)(F)F)c3C2)c([N+](=O)[O-])c1 71922341 ICPKTKNQCUWLDP-UHFFFAOYSA-N 337.261 2.771 30 40 EFEB N#C[C@@H](C(=O)NC1CCCCC1)C(=O)c1ccc(Br)o1 102764005 RFZORLPJKZDCBO-SNVBAGLBSA-N 339.189 2.813 30 40 EFEB COC(=O)[C@@H](c1cccc(C#N)c1)N(C)CC[C@@H]1CCCCN1C 107512200 XCMUOPFVLYBORR-ZWKOTPCHSA-N 329.444 2.579 30 40 EFEB C=CCN(Cc1cccc(C#N)c1)C(=O)c1ccnc(-n2ccnc2)c1 58364508 BSBPYGGDWSCBDH-UHFFFAOYSA-N 343.390 2.967 30 40 EFEB N#Cc1ccc(NCC(=O)NCC2(c3ccccc3)CCOCC2)cc1 68352954 IFVWVLSCUFUCRY-UHFFFAOYSA-N 349.434 2.835 30 40 EFEB COc1ccc(C(=O)COC(=O)[C@H](C)Oc2ccc(C#N)cc2)cc1 6466688 ICMYHJZOUFBVKC-ZDUSSCGKSA-N 339.347 2.760 30 40 EFEB C=CCn1c(SCC(=O)N[C@@H](C)C(C)C)nnc1-c1ccncc1 6907641 LSQAFSINXFNMBC-ZDUSSCGKSA-N 345.472 2.779 30 40 EFEB Cc1csc([C@@H](C#N)C(=O)[C@@H]2CCCN(C(=O)C(C)(C)C)C2)n1 71803517 FZFGWQPYVGMHDW-OLZOCXBDSA-N 333.457 2.913 30 40 EFEB N#Cc1cc(C(=O)N2CCC[C@@H](c3ccn[nH]3)C2)ccc1N1CCCC1 72285784 GPDXBJRHMMTISN-MRXNPFEDSA-N 349.438 2.901 30 40 EFEB COc1cccc(C[C@H](C)NS(=O)(=O)c2ccc(CC#N)cc2)c1 78985428 MBLUFFDDPZJGHL-AWEZNQCLSA-N 344.436 2.671 30 40 EFEB CCc1ccc(NC(=O)[C@@H](C#N)C(=O)c2cnn3c2CCCC3)cc1 125610631 ZBNRRLOUEWMGKJ-HNNXBMFYSA-N 336.395 2.743 30 40 EFEB N#CC1(CS(=O)(=O)NC(=O)c2ccc(C3CCC3)cc2)CCC1 195580221 FANYRKLKDUMYEU-UHFFFAOYSA-N 332.425 2.708 30 40 EFEB CCCCCCCNC(=O)COCC(=O)Nc1ccc(C#N)cc1 98045191 QDJZZRKXBCINFP-UHFFFAOYSA-N 331.416 2.600 30 40 EFEB C#CCn1cc(CN(C)C(=O)Nc2ccc(CC)c([N+](=O)[O-])c2)cn1 95418784 PMLPQMBXXJTDQF-UHFFFAOYSA-N 341.371 2.651 30 40 EFEB CCc1cc(CN/C(=N/C)N[C@@H](C)c2cc(OC)ccc2OC)on1 95964753 RXHFCXNOCFMLBV-LBPRGKRZSA-N 346.431 2.680 30 40 EFEB CC/N=C(/NCc1noc(C)n1)N[C@@H](C)c1cc(C)ccc1OC 88924402 YYXVORNNYPGLQE-LBPRGKRZSA-N 331.420 2.511 30 40 EFEB CN1C(=S)S[C@@](C)(/[N+]([O-])=C\c2cccc([N+](=O)[O-])c2)C1(C)C 100265160 JVHRRIFYMPBRGR-BRYYZUPOSA-N 339.442 2.982 30 40 EFEB Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N[C@@H]1CCCC[C@@H]1C 40510984 UYGDCFKNRFIZRZ-YVEFUNNKSA-N 339.443 2.845 30 40 EFEB C[C@H](CNC(=O)COc1ccc(C#N)cc1)N1CCc2ccccc2C1 29224041 NYQGIGXZYRWDAP-MRXNPFEDSA-N 349.434 2.500 30 40 EFEB C=CCNC(=O)c1sc2nc(Cc3ccccc3)[nH]c(=O)c2c1C 9645717 AVJKJWOFHZVBFQ-UHFFFAOYSA-N 339.420 2.800 30 40 EFEB C=CCN(C(=O)c1oc2c(C)cccc2c1C)[C@@H]1CCS(=O)(=O)C1 57239163 SVNZWSMUXPYCRI-CQSZACIVSA-N 347.436 2.865 30 40 EFEB CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1ccc(C#N)cc1 10906955 IPAYDXYAHMOYGK-UHFFFAOYSA-N 335.407 2.667 30 40 EFEB CCc1ccc(C(=O)N2CCN(c3oc(C4CC4)nc3C#N)CC2)o1 48314583 WQVZHZAUGDDSQG-UHFFFAOYSA-N 340.383 2.541 30 40 EFEB N#Cc1cccnc1NC[C@@H]1CCN(c2ncnc3ccccc23)C1 65474192 XAVXYIRZKHLDPD-AWEZNQCLSA-N 330.395 2.835 30 40 EFEB CN(CCCOc1ccccc1)c1ncnc2c1cnn2CCC#N 65519849 FDARXWZDTSHXTL-UHFFFAOYSA-N 336.399 2.645 30 40 EFEB CC[C@H](C)n1nccc1NC(=O)c1cccc(-n2ncc(C#N)c2N)c1 95398139 MKSWLRTTWCPSIV-LBPRGKRZSA-N 349.398 2.746 30 40 EFEB Cc1cc([C@H]2CCCN(C(=O)[C@@H](C)Oc3cccc(C#N)c3)C2)n[nH]1 78902352 KEHRWTZFKYDCJH-ZBFHGGJFSA-N 338.411 2.763 30 40 EFEB N#Cc1cc(NS(=O)(=O)c2ccc([N+](=O)[O-])c(F)c2)ccc1F 95978084 OGTBWJQURIDNBF-UHFFFAOYSA-N 339.279 2.545 30 40 EFEB O=C(O)COc1ccc(/C=N\c2ccc(O)c(C(=O)O)c2)cc1Cl 408858997 UXORBWCCHWYBNU-WSVATBPTSA-N 349.726 2.958 30 40 EFEB C=C[C@@](C)(CC)C(=O)N1CCN(C(=O)c2cccc(OC)c2)CC1 134923725 BBVJZRMOUHUFBG-IBGZPJMESA-N 330.428 2.582 30 40 EFEB N#CC1(NS(=O)(=O)c2csc([N+](=O)[O-])c2)CCCCCC1 195574626 MQLNJDIJJNGXKI-UHFFFAOYSA-N 329.403 2.551 30 40 EFEB O/C(CN1CCC[C@@H]1Cn1cccn1)=N\c1nnc(C2CCC2)s1 19714098 FJWGHPVGIPGIOU-CYBMUJFWSA-N 346.460 2.755 30 40 EFEB CN(c1cccc(/N=C/c2cccc([N+](=O)[O-])c2)c1)S(C)(=O)=O 19855723 ORHIAMABIVKACB-LFIBNONCSA-N 333.369 2.741 30 40 EFEB Cc1cc(C)nc(O[C@@H]2CCCN(C(=O)c3cccc(C#N)c3)C2)n1 585340106 NYUIHHFBILWOBF-QGZVFWFLSA-N 336.395 2.649 30 40 EFEB N#Cc1cccnc1N1CCC(C(=O)N2CCc3ccccc3C2)CC1 30859246 LWENOXCXTVEHAR-UHFFFAOYSA-N 346.434 2.755 30 40 EFEB Cc1ccc(S(=O)(=O)N(CCC#N)[C@@H](C)C2CC2)cc1[N+](=O)[O-] 69599261 KXMIHCMWAXOLNG-LBPRGKRZSA-N 337.401 2.606 30 40 EFEB N#Cc1cccc(NC(=O)N[C@@H](Cc2ccccc2)C(=O)NC2CC2)c1 60348977 SGUILFVFTKLUGR-SFHVURJKSA-N 348.406 2.570 30 40 EFEB N#C[C@H]1C(=O)N=C2Nc3ccccc3N2[C@H]1c1cccc([N+](=O)[O-])c1 20637801 GYPHVSSUEGKJIZ-DOMZBBRYSA-N 333.307 2.604 30 40 EFEB C[C@@H](Oc1cccnc1[N+](=O)[O-])C(=O)N(CCC#N)c1ccccc1 12737848 ULJWWQMOULPXPR-CYBMUJFWSA-N 340.339 2.704 30 40 EFEB CC/N=C1/S[C@@H](CC(=O)Nc2ccccc2CC)C(=O)N1CC 13471660 IDPDWDDFXZVNMB-YWMAMYRUSA-N 333.457 2.917 30 40 EFEB C=CCN1C(=O)NC(=O)/C(=C\c2cn(CCC)c3ccccc23)C1=O 13513174 IOCRHGBMLNYZHX-RVDMUPIBSA-N 337.379 2.699 30 40 EFEB CC(C)c1noc([C@H](C)N2CCN(Cc3cccc(C#N)c3)CC2)n1 69376107 VCKGIPGTXLQHHJ-HNNXBMFYSA-N 339.443 2.943 30 40 EFEB CN(CC(=O)NC1(C#N)CCCC1)Cc1ccccc1N1CCCC1 8780394 XSHTZJAEFMLPCH-UHFFFAOYSA-N 340.471 2.671 30 40 EFEB N#CC1(NC(=O)Cc2csc3nc(-c4ccc(F)cc4)cn23)CC1 95399382 RLRAUGPLRUICGX-UHFFFAOYSA-N 340.383 2.917 30 40 EFEB C=CCN(Cc1ccc(C#N)cc1)S(=O)(=O)c1cn(C(C)C)cn1 95973681 KGYQGDCXGHPLLK-UHFFFAOYSA-N 344.440 2.713 30 40 EFEB Cc1ccc(N=C[C@@H]2C(=O)NC(=O)N(c3ccccc3F)C2=O)cc1 408528157 STQWQHFQCQAWJC-CYBMUJFWSA-N 339.326 2.736 30 40 EFEB COCCCN(C)C(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1 66964026 REVFMGBIEVETBI-UHFFFAOYSA-N 345.321 3.000 30 40 EFEB COC(=O)N1C[C@H]2C=C[C@H]1[C@@H](c1noc(C3(C#N)CCCCC3)n1)C2 585120495 QUPOANBMJXMYPV-IHRRRGAJSA-N 342.399 2.905 30 40 EFEB N#Cc1cccnc1N1CCN(c2ccc(-c3cccs3)nn2)CC1 1775976968 FIWKGHUSNFOSGV-UHFFFAOYSA-N 348.435 2.798 30 40 EFEB CC(C)=NO[C@@]1(c2ccccc2)OC(=N)[C@@]2(C#N)C(C#N)(C#N)[C@]21C 35323551 AZSRYZCKCCBBQT-KBAYOESNSA-N 333.351 2.823 30 40 EFEB N#C[C@H]1C[C@H]2CC3(CC[C@H]2CN1C(=O)c1ccccc1)OCCO3 1613601 XIPRMSHMVONOPL-YESZJQIVSA-N 326.396 2.584 30 40 EFEB CCN1C[C@@H](CN(C)C(=O)c2cccc(C#N)c2)Oc2ccccc21 7257213 MLYNQDFWONPMGO-QGZVFWFLSA-N 335.407 2.918 30 40 EFEB C=CCn1c(C)nnc1S(=O)(=O)Cc1ccc(F)cc1Cl 71913627 FQPMYEIBLOUBRG-UHFFFAOYSA-N 329.784 2.539 30 40 EFEB N#CC1(C#N)[C@H]2CCCC[C@@]23OC(=N)[C@@]1(C#N)[C@@H](c1cccnc1)O3 102995423 UTGGKOZCMLMNPO-DTTOXWODSA-N 333.351 2.590 30 40 EFEB Cc1cc(=O)[nH]c(N/N=C/c2c(C)nn(-c3ccccc3)c2Cl)n1 12484769 PKTASKLCUSKCBA-GIJQJNRQSA-N 342.790 2.672 30 40 EFEB Cc1cccc(NC(=O)[C@@H](C#N)C(=O)CCc2c(C)noc2C)c1 103504099 OLPOZBZUARVAFO-INIZCTEOSA-N 325.368 2.880 30 40 EFEB Cc1c(/N=N/c2cccc(Cl)c2)c(O)n(CCO)c(=O)c1C#N 18094229 QIYNSDXSWSTRSI-VHEBQXMUSA-N 332.747 2.795 30 40 EFEB N#Cc1c[nH]c(C(=O)Nc2ccc(Cl)cc2C(=O)NC2CC2)c1 95407085 MWFYOTMMFBJKAS-UHFFFAOYSA-N 328.759 2.684 30 40 EFEB C=CCN1C(=O)N/C(=C/c2cc(OCC)c(OC)cc2Cl)C1=O 409139556 OEMGJLZIHYCHAG-KPKJPENVSA-N 336.775 2.826 30 40 EFEB CCN(CC)S(=O)(=O)/N=C(\O)[C@@H]1C[C@H]1c1cc(F)ccc1F 76912953 BCYWVDKJWBNOJT-CMPLNLGQSA-N 332.372 2.611 30 40 EFEB Cc1oc(NC(=O)[C@@H](C)N2CCC[C@H](c3ccn[nH]3)C2)c(C#N)c1C 72270674 RAGPDDWRNSKHKR-OCCSQVGLSA-N 341.415 2.698 30 40 EFEB Cn1nc(C(=O)Nc2cccc(C#N)c2)cc1NC(=O)c1ccccc1 46088322 NGCPYSMRQIDYSX-UHFFFAOYSA-N 345.362 2.796 30 40 EFEB Cc1ccnn1-c1ccccc1NC(=O)Nc1ccn(CCC#N)n1 195577431 GZUNHASBIPKSEH-UHFFFAOYSA-N 335.371 2.935 30 40 EFEB C[C@@H]1CCCN(/C(N)=N/Cc2ccc(COC3CCOCC3)cc2)C1 130636995 OQTABCUYWRKOFY-MRXNPFEDSA-N 345.487 2.929 30 40 EFEB Cc1cc(N2CC[C@@H](Oc3cccnc3N3CCCC3)C2)c(C#N)cn1 575603570 FZGXXBZUPMARRB-QGZVFWFLSA-N 349.438 2.915 30 40 EFEB C[C@H](O)CNC(=O)c1ccc(OCc2ccc(Cl)cc2C#N)cc1 194464598 QMBVVHLNLURTGB-LBPRGKRZSA-N 344.798 2.901 30 40 EFEB CCO[C@H]1C[C@H](Nc2nc3ncccc3cc2C#N)C12CCOCC2 596194011 IDBLMUZAFSKEGI-HOTGVXAUSA-N 338.411 2.888 30 40 EFEB N#Cc1c[nH]c(C(=O)N(Cc2cccc(O)c2)C2CCC(O)CC2)c1 84057076 RZXLKFRWBLQMBE-UHFFFAOYSA-N 339.395 2.538 30 40 EFEB CSc1ncc(C#N)c(N2CC(Cn3ccnc3C(C)C)C2)n1 2087122877 SEENSNIBFJXUBD-UHFFFAOYSA-N 328.445 2.526 30 40 EFEB N#Cc1cccc(OCC(=O)Nc2cccc(N3CCCC3=O)c2)c1 40023404 NBPYXMLTSFVTFT-UHFFFAOYSA-N 335.363 2.703 30 40 EFEB N#Cc1ccc(CN(Cc2ccccc2)[C@H]2CCS(=O)(=O)C2)cc1 53064875 PUJQTLGWJCMZLC-IBGZPJMESA-N 340.448 2.748 30 40 EFEB C[C@H]1Oc2ccccc2N(CCC(=O)Nc2sccc2C#N)C1=O 24466903 SKHKZKSEAHFSSN-LLVKDONJSA-N 341.392 2.762 30 40 EFEB N#CCCN(CCC#N)C(=O)CN(C1CC1)[C@@H]1CCc2ccccc21 58185031 AAVGGHNLJNIWBW-LJQANCHMSA-N 336.439 2.794 30 40 EFEB C[C@@H]1CN(C(=O)C2CCN(c3ccc(C#N)cc3F)CC2)C[C@@H](C)O1 58331895 LAZJFAUHCPDXLG-ZIAGYGMSSA-N 345.418 2.550 30 40 EFEB Cc1ccccc1CCN[C@H](c1cccc(C#N)c1)P(=O)(O)O 12949467 LFDAFMLFVDBPMM-KRWDZBQOSA-N 330.324 2.875 30 40 EFEB CCCCCNC(=O)[C@@H](C#N)c1nc2ccccc2nc1OCC 5030697 SGRDDZRKSFHXNN-ZDUSSCGKSA-N 326.400 2.942 30 40 EFEB CC(C)(C)OC(=O)NCC(=O)[C@H](C#N)c1nc2ccccc2s1 65647854 SACZINCDBNSFIX-JTQLQIEISA-N 331.397 2.997 30 40 EFEB Cc1nc(C)c(S(=O)(=O)/N=C(\O)c2cc(F)ccc2F)s1 78987711 GRXADYHFAMRVEE-UHFFFAOYSA-N 332.353 2.732 30 40 EFEB Cc1ccn(CC(=O)Nc2ccccc2SC(F)F)c(=O)c1C#N 97094748 JRTYJSFIVKKZDL-UHFFFAOYSA-N 349.362 2.982 30 40 EFEB Cc1ccc([C@@H](C)NC(=O)C(=O)Nc2ccc(F)c(C#N)c2)s1 89656294 JCEZGEAJCJNWHY-SNVBAGLBSA-N 331.372 2.883 30 40 EFEB Cn1cc([C@H]2C[C@@H]2/C(O)=N/S(=O)(=O)c2cccc(Cl)c2)cn1 78556450 ZKNFSSJDYCGUGZ-OLZOCXBDSA-N 339.804 2.522 30 40 EFEB N#Cc1ccc(Oc2cccc(NCc3nnnn3C3CC3)c2)nc1 84493249 DUCGMYIJRUXHQH-UHFFFAOYSA-N 333.355 2.679 30 40 EFEB Cc1cnn(CC/C(O)=N/S(=O)(=O)c2ccc(C)c(Cl)c2)c1 80298643 NJZZGPCFKCPKIA-UHFFFAOYSA-N 341.820 2.889 30 40 EFEB CNC(=O)C[C@H]1S/C(=N\c2ccccc2)N(c2ccccc2)C1=O 12377727 DDPHUBVROHUFDF-MEUCICPISA-N 339.420 2.959 30 40 EFEB Cc1ccnc(OC[C@]23CCC[C@H]2CN(c2ncccc2C#N)C3)n1 1888864061 FJFUMHQYMZDBQE-QFBILLFUSA-N 335.411 2.737 30 40 EFEB N#CC1(C#N)[C@@H]2c3ccccc3C=CN2[C@@H](C(N)=O)[C@@H]1c1cccs1 20813460 WBFDYYKLVXHGEX-BBWFWOEESA-N 346.415 2.760 30 40 EFEB N#Cc1c(NC(=O)COC(=O)c2cccnc2)sc2c1CCCC2 6528103 IRIGOBGIIRKHQN-UHFFFAOYSA-N 341.392 2.689 30 40 EFEB N#Cc1cc(F)ccc1CN1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 89768448 KYLHHWBESZGFND-OAHLLOKOSA-N 341.346 2.687 30 40 EFEB Cc1cc(NC(=O)c2ccn(-c3cccc(F)c3)n2)n(CCC#N)n1 58218884 HCLJBYIKAJKHJG-UHFFFAOYSA-N 338.346 2.682 30 40 EFEB COc1ccc(OC)c(/C=N/OCC(=O)Nc2ccc(F)cc2)c1 8231942 KIBGKTVTAARSBX-VXLYETTFSA-N 332.331 2.832 30 40 EFEB C[C@H](OC[C@@H]1CCCO1)/C(O)=N/S(=O)(=O)c1cccc(Cl)c1 69282952 CPUWALFULUAOEE-JQWIXIFHSA-N 347.820 2.569 30 40 EFEB CCOCC(=O)OCC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCC1 9050133 HCRSXRRDUHJGRA-UHFFFAOYSA-N 347.415 2.610 30 40 EFEB C=CCn1c(=S)[nH]c2cc(C(=O)Nc3nccs3)ccc2c1=O 9882785 XYDAXDWVAKRVSO-UHFFFAOYSA-N 344.421 2.954 30 40 EFEB Cc1cccc(C)c1NC(=O)[C@@H](C)Sc1nc(N)cc(N)c1C#N 9315114 YUXDFNYHVPJBCF-LLVKDONJSA-N 341.440 2.854 30 40 EFEB CCCN(CCc1ccccn1)S(=O)(=O)c1cccc(F)c1C#N 89958923 RZGZDNBMMCYADV-UHFFFAOYSA-N 347.415 2.736 30 40 EFEB N#CCCN(CC1CC1)S(=O)(=O)Cc1cc(Cl)ccc1F 79108446 LELGUWJLHDSHQQ-UHFFFAOYSA-N 330.812 2.935 30 40 EFEB C=CCOc1ccc(/C=N/N=C2C3(C)CN4CN(C3)CC2(C)C4)cc1 26896233 BXHDIIUETICUII-BNDZBDRPSA-N 338.455 2.641 30 40 EFEB N#CCSCC(=O)N[C@H]1CCN(c2ccc(Cl)cc2Cl)C1 191274374 XYFAKEJXNZOAMZ-NSHDSACASA-N 344.267 2.945 30 40 EFEB C/N=C(\NCc1cccc(Cn2ccnc2C)c1)NCc1ccco1 97001103 FQGYZSIDYSWXMB-UHFFFAOYSA-N 337.427 2.698 30 40 EFEB CCNC(=S)N/N=C/c1cc(C)n(-c2ccc3c(c2)OCO3)c1C 8013284 JEVFEJVQDQGEGO-DJKKODMXSA-N 344.440 2.641 30 40 EFEB CC1(C)Oc2ccc(C(=O)NC3CCCCC3)cc2N(CC#N)C1=O 5977467 QQEJBIYCCCLUQB-UHFFFAOYSA-N 341.411 2.777 30 40 EFEB CS(=O)(=O)c1ccccc1-n1cc(N[C@H]2CCC[C@@H](C#N)C2)cn1 613255726 FQMQEANKHZUSPE-KGLIPLIRSA-N 344.440 2.770 30 40 EFEB CC(C)(C)OC(=O)N[C@H]1C=C(I)C(=O)CC1 36433737 CPCNGHYSAZBCFA-SSDOTTSWSA-N 337.157 2.562 30 40 EFEB N#Cc1ccc(N2C[C@H]3CCN(c4nc5cnccc5s4)[C@H]3C2)nc1 1889179485 OLJRPDDNOMJEDH-HIFRSBDPSA-N 348.435 2.673 30 40 EFEB CCOC(=O)c1ccc[n+](CC(=O)c2ccc(Br)cc2)c1 3152478 MBIPMUFCFWZVEK-UHFFFAOYSA-N 349.204 2.796 30 40 EFEB COc1ccc(N/C(S)=N/CCCCCC(=O)C[N+](=O)[O-])cc1 101567590 FMYFZHCSZMEVTL-UHFFFAOYSA-N 339.417 2.799 30 40 EFEB COc1ccc([C@H]2CC(=O)NC3=C2C(=O)CC(C)(C)C3)cc1OC 517653 DGUNMASKZLGBBL-GFCCVEGCSA-N 329.396 2.951 30 40 EFEB biogenic CC(=O)N1CCc2cc(N[C@H](C)C(=O)Nc3ccccc3C#N)ccc21 12561959 ZQYJDULQUVAGHS-CYBMUJFWSA-N 348.406 2.906 30 40 EFEB COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)Oc1ccccc1C#N 3445586 SIRRDFRWDBSRRY-LLVKDONJSA-N 341.323 2.881 30 40 EFEB COc1ccc(CN(C)CC(=O)Nc2ccc(C#N)cc2)c(OC)c1 3400893 JNNCZSVWSHIWMX-UHFFFAOYSA-N 339.395 2.646 30 40 EFEB C=C(C)CN1CCC(NC(=O)NCc2ccccc2OCC)CC1 69628847 KAXCIRPKFDJQOW-UHFFFAOYSA-N 331.460 2.925 30 40 EFEB N#C[C@]1(NC(=O)c2ccnc(SCC(F)(F)F)c2)CCSC1 95396106 GSXMXOHHRJORAX-GFCCVEGCSA-N 347.387 2.865 30 40 EFEB Cc1cc(C)n(Cc2ccc(C(=O)N[C@@]3(C#N)CCSC3)cc2)n1 95392567 DZMZAICRJJMXDR-GOSISDBHSA-N 340.452 2.677 30 40 EFEB CC[C@@H](C)n1nccc1NC(=O)c1cccc(-n2ncc(C#N)c2N)c1 95398138 MKSWLRTTWCPSIV-GFCCVEGCSA-N 349.398 2.746 30 40 EFEB C=C[C@@H](CC(=O)N1CCN(C(=O)c2cccnc2)CC1)c1ccccc1 95442623 YUGRFZNFPMKECM-KRWDZBQOSA-N 349.434 2.726 30 40 EFEB N#C[C@]1(NC(=O)CCc2cc(Br)cs2)CCSC1 78656078 ZMXXKCNIZBABJW-GFCCVEGCSA-N 345.287 2.959 30 40 EFEB N#Cc1cccc(NS(=O)(=O)c2cnn(Cc3ccccc3)c2)c1 79338300 YKNCLUHEKHNGSH-UHFFFAOYSA-N 338.392 2.604 30 40 EFEB CC(C)Cc1nc(C(=O)[C@H](C#N)C(=O)Nc2ccccn2)cs1 138819712 ZCJIJIZEKGEIMK-NSHDSACASA-N 328.397 2.698 30 40 EFEB C=CCN1C(=O)/C(=C/c2ccc(C(F)(F)F)cc2)C(=O)NC1=S 223569054 XRHODKBLCMEEDX-DHZHZOJOSA-N 340.326 2.518 30 40 EFEB N#Cc1ccc(S(=O)(=O)N2CCC3(CCCC3)CC2)c([N+](=O)[O-])c1 96421241 QHUVUEMOFKLCBP-UHFFFAOYSA-N 349.412 2.811 30 40 EFEB N#Cc1ccc(OCc2ccon2)c(I)c1 252488474 ISPMZIFSWFFDSB-UHFFFAOYSA-N 326.093 2.730 30 40 EFEB N#Cc1ccc(N2C[C@H]3CC[C@H]2[C@H]2CN(Cc4ccccc4)C[C@H]32)nn1 585091415 GUBCTNWGBQOOHA-LMCOJAPRSA-N 345.450 2.695 30 40 EFEB C=CCNC(=O)CN[C@H]1CCN(CC)[C@@H]1c1ccc(Cl)c(F)c1 252509155 YDKJVXDPZAHERS-DOTOQJQBSA-N 339.842 2.506 30 40 EFEB C#Cc1cccc(N(CC)C(=O)c2cccc(S(C)(=O)=O)c2)c1 69348633 GWCMTRWTQMRZIJ-UHFFFAOYSA-N 327.405 2.738 30 40 EFEB COc1ccc([C@H](C#N)N2C[C@@H]3C[C@H](C2)c2cccc(=O)n2C3)cc1 5910974 POSSUNMJJOKNBO-GMBSWORKSA-N 335.407 2.541 30 40 EFEB CCc1cc(OCC2CCN(c3cc(C#N)ccn3)CC2)nnc1C 1888865745 RXTFJQJAGSFPKJ-UHFFFAOYSA-N 337.427 2.910 30 40 EFEB C#CCN(Cc1ccco1)S(=O)(=O)c1ccc(C#N)c(Cl)c1 58216149 SQYSKEYATHZRIK-UHFFFAOYSA-N 334.784 2.629 30 40 EFEB N#Cc1ccsc1NC(=O)CN1CCC(N2CCCCC2)CC1 58304945 BRCQAKDOKBRYGO-UHFFFAOYSA-N 332.473 2.509 30 40 EFEB C#CCOc1c(Cl)cc(Cl)cc1C=C(C(=O)OC)C(=O)OC 409047553 OHVFLZABUDTCNF-UHFFFAOYSA-N 343.162 2.735 30 40 EFEB O=C(/N=C1/NCCS1)[C@@H]1C[C@@H]1c1ccccc1Br 65522774 MDDRYIUGKFEPKV-NXEZZACHSA-N 325.231 2.772 30 40 EFEB C[C@@H](OC(=O)c1ccc(Cl)c(N)c1)C(=O)Nc1ccccc1C#N 6422069 CFKINKYLNAJPNK-SNVBAGLBSA-N 343.770 2.978 30 40 EFEB C=CCc1ccc(OCC(=O)Nc2cccc(C(N)=O)c2)c(OC)c1 8774417 JGXSFAZZNAVNBQ-UHFFFAOYSA-N 340.379 2.540 30 40 EFEB Cc1nnc(S)n1/N=C/c1ccc(N(C)C)c(Br)c1 408842750 BBDYPXPOTKGWBD-VGOFMYFVSA-N 340.250 2.586 30 40 EFEB N#Cc1cc(S(N)(=O)=O)ccc1N[C@H]1CCc2cc(Cl)ccc21 78904433 TXZRNEDYBNYZJV-INIZCTEOSA-N 347.827 2.958 30 40 EFEB Cn1cc([C@H]2CN(c3cc(C#N)ccc3C(F)(F)F)CCO2)cn1 97096841 UZLQVPVEYFMYOT-OAHLLOKOSA-N 336.317 2.888 30 40 EFEB COc1ccc2c(c1)CCN(S(=O)(=O)CC1(C#N)CCCC1)CC2 333499398 WAGAEGCLLUXNFG-UHFFFAOYSA-N 348.468 2.510 30 40 EFEB C=CCOC[C@]12CCCO[C@@H]1CCN(C(=O)Cc1ccsc1)C2 96039671 LJXOATZBAJVWAE-SJLPKXTDSA-N 335.469 2.891 30 40 EFEB COc1ccc(/C=C\C(=O)c2ccccc(=O)c2O)c(OC)c1OC 5518699 QHVYEBPVLMQIFC-NTMALXAHSA-N 342.347 2.674 30 40 EFEB C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)CNc1ccc(C#N)cc1 11155758 UGQHOWDRHGUYKV-CYBMUJFWSA-N 334.379 2.734 30 40 EFEB C=CCn1/c(=N/C(=O)C2=COCCO2)sc2cc(OCC)ccc21 100875060 UOAHSIFLRZKPCV-ZCXUNETKSA-N 346.408 2.603 30 40 EFEB CCN(Cc1c(F)cccc1F)C(=O)CN(C)c1ccc(C#N)cn1 69538807 VMXBNVNSFQYXCJ-UHFFFAOYSA-N 344.365 2.716 30 40 EFEB Cc1c(C(=O)NCCCn2ccnc2)oc2c1/C(=N\O)CC(C)(C)C2 100931471 MNKYWRCQQMCCEL-BKUYFWCQSA-N 344.415 2.755 30 40 EFEB N#Cc1cccnc1NCCNC(=O)c1cnc(-c2ccccc2)s1 53219620 GPGZICVXZUTWRM-UHFFFAOYSA-N 349.419 2.919 30 40 EFEB CC1(C)CC(=O)C2=C(C1)Nc1nnnn1[C@H]2c1cccc(Cl)c1 12349003 JXJHBJDGNKEEEK-AWEZNQCLSA-N 329.791 2.985 30 40 EFEB O=C(Oc1cccc(/C=N/O)c1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 103760643 OOXXCAQEWZJVKW-OVCLIPMQSA-N 331.240 2.530 30 40 EFEB CC(C)COC(=O)N1CCCN(C(=O)Nc2ccc(C#N)cc2)CC1 58197770 LPCNGGSQVPMLSF-UHFFFAOYSA-N 344.415 2.890 30 40 EFEB N#C[C@@H](C(=O)C1=NO[C@H](c2ccccc2)C1)c1nnc2n1CCCCC2 58267305 AJNBREJZRUERRR-HOCLYGCPSA-N 349.394 2.698 30 40 EFEB C/C(=N\Nc1ccccc1C(=O)O)c1ccc(S(C)(=O)=O)cc1 13459511 AVONCKLZMFEQJY-GZTJUZNOSA-N 332.381 2.624 30 40 EFEB N#Cc1ccc(NC(=O)[C@H]2CCCN(CC(F)(F)F)C2)cc1C#N 91901224 STPLPBJYMGQZTD-LBPRGKRZSA-N 336.317 2.643 30 40 EFEB N#Cc1cc(N2CCC[C@H](C(=O)NCC3CC3)C2)c2ccccc2n1 89866624 XTUNAOAOHZNMHD-HNNXBMFYSA-N 334.423 2.849 30 40 EFEB COc1cc(OC)cc(N2CC[C@H](NCc3cccc(C#N)c3)C2)c1 78996586 NWHHTJIFOVXOED-KRWDZBQOSA-N 337.423 2.944 30 40 EFEB COC[C@]1(C#N)[C@@H](S(=O)(=O)c2ccccc2)[C@@H]1c1ccccc1 218033963 CVMKHFUHVDGILD-BZSNNMDCSA-N 327.405 2.783 30 40 EFEB CC(C)CNc1nnc(SCC(=O)NC2(C#N)CCCC2)s1 7268343 NOEDVNHDSQJBBB-UHFFFAOYSA-N 339.490 2.651 30 40 EFEB Cc1ccc(S(=O)(=O)OCCOc2ccc([N+](=O)[O-])cc2)cc1 34071220 CQJPTDIIXVSDSJ-UHFFFAOYSA-N 337.353 2.688 30 40 EFEB N#CCCN(C(=O)[C@@H]1C[C@H]1c1cccnc1)c1ccc2c(c1)OCCO2 79000386 XUKHIMQOYRKYAT-DLBZAZTESA-N 349.390 2.903 30 40 EFEB CN(Cc1ccc(C#N)cc1F)C[C@H](O)COCc1ccccc1 79311499 ACFUMHCAWUQNCI-SFHVURJKSA-N 328.387 2.707 30 40 EFEB NC(=O)c1cncc(C#CC2(NC(=O)C3CCCC3)CCCCC2)c1 12337528 OABBBVJVTDOQKG-UHFFFAOYSA-N 339.439 2.541 30 40 EFEB O=c1c(/C=N/C2CC2)c(C(F)(F)F)[nH]n1-c1ccc([N+](=O)[O-])cc1 2490604 BTWSVSVQBFIJNC-CNHKJKLMSA-N 340.261 2.674 30 40 EFEB Cc1ccc(NC(=O)[C@H](C#N)C(=O)[C@@H](C)Oc2ccccc2C#N)cc1 103503793 JWVSSCZJPFHQRD-RHSMWYFYSA-N 347.374 2.982 30 40 EFEB C=C(C)Cn1c(C)cc(C)c(S(=O)(=O)c2ccccc2OC)c1=O 1397526 WOMRNORKFBSHAM-UHFFFAOYSA-N 347.436 2.883 30 40 EFEB CC/N=C(/NCC)NC[C@@H](c1ccc(OC)cc1)N1CCCCC1 58193454 VNJPZCAJUSCFOF-SFHVURJKSA-N 332.492 2.797 30 40 EFEB N#Cc1ccc(OCc2ccc(C(N)=O)cc2[N+](=O)[O-])c(Cl)c1 16544506 WRBYFIBVPNLXKG-UHFFFAOYSA-N 331.715 2.798 30 40 EFEB COc1ccc(/C=[N+](\[O-])[C@H]2N(C)C(=S)SC2(C)C)cc1OC 4785785 UUCHRGQESIXBCZ-ZLYHGVDXSA-N 340.470 2.701 30 40 EFEB COC[C@@H](NC(=O)NCc1ccc(C#N)cc1F)c1ccc(C)o1 84195204 GVWRDJYCEVABCV-OAHLLOKOSA-N 331.347 2.786 30 40 EFEB CCN(C)c1ccccc1CNS(=O)(=O)Cc1cccc(C#N)c1 71888422 HTEJWBDYIOWTFN-UHFFFAOYSA-N 343.452 2.634 30 40 EFEB C#CCOc1ccc(NC(=O)N2CCCC[C@@H]2c2nc[nH]n2)cc1 97079890 NLCINVAOTIAJFV-OAHLLOKOSA-N 325.372 2.576 30 40 EFEB C=CCOc1ccc(C(=O)N2C[C@@H](N(C)C)[C@H](CC)C2)cc1OC 89948523 HHDARRCWMPWOKD-GDBMZVCRSA-N 332.444 2.672 30 40 EFEB C[C@H]1CCc2c(sc(NC(=O)CN3C[C@@H](C)O[C@H](C)C3)c2C#N)C1 33285975 NGUCHHJHPKUYRS-YNEHKIRRSA-N 347.484 2.792 30 40 EFEB C=C[C@@H](CC(=O)N1CCC2(CC1)CC(C(=O)O)=NO2)c1ccccc1 1588691080 QUIKFSXSRHGBHF-AWEZNQCLSA-N 342.395 2.568 30 40 EFEB Cc1c(/C(O)=N/S(=O)(=O)c2ccc(F)cc2)cnn1CC(C)C 95452207 UDRLADQUTPFFTR-UHFFFAOYSA-N 339.392 2.680 30 40 EFEB N#Cc1cccc(CN2Cc3nccn3C[C@H](COCC3CC3)C2)c1 96187886 QMVJVFUPXGJCCV-LJQANCHMSA-N 336.439 2.813 30 40 EFEB N#Cc1nn(-c2ccccc2)nc1N1CCN(c2ccccc2F)CC1 256047348 LZTNJSGYBHTAOF-UHFFFAOYSA-N 348.385 2.605 30 40 EFEB CCOC(=O)CC(=O)CSc1nc(-c2ccncc2)ccc1C#N 5325399 HLEQDPKFUNSWJE-UHFFFAOYSA-N 341.392 2.630 30 40 EFEB CCc1ncnc(N2CCC[C@@H](COc3cc(C#N)ccn3)C2)c1F 1776008050 VBSODACDPKATAL-CQSZACIVSA-N 341.390 2.740 30 40 EFEB COc1ccc(NC(=O)NCCC(=O)Nc2cccc(C#N)c2)cc1 11374279 RULVFHUJXKNTJH-UHFFFAOYSA-N 338.367 2.717 30 40 EFEB C=C(C)CN(CC)C(=O)Nc1ccc(S(=O)(=O)NC(C)C)cc1 104984598 KHMLFTSFVUGMAR-UHFFFAOYSA-N 339.461 2.803 30 40 EFEB C#CCNC(=O)[C@@H](CC(C)C)NC(=O)c1ccc(Cl)cc1Cl 21903258 CAFIOVULLFTEAO-CQSZACIVSA-N 341.238 2.887 30 40 EFEB CN(CC(=O)Nc1c(C#N)cnn1-c1ccccc1)Cc1ccccc1 58180182 VVQJQSPYFIWMAN-UHFFFAOYSA-N 345.406 2.814 30 40 EFEB O=[N+]([O-])c1ccc(CS(=O)(=O)NN=C2CCCCCC2)cc1 58200313 PFSBGBIZOWINQW-UHFFFAOYSA-N 325.390 2.724 30 40 EFEB COC(=O)[C@H](c1cc(F)ccc1F)N(C)C(=O)c1ccc(C#N)cc1 69570904 IKLXGAIBEWJHEL-INIZCTEOSA-N 344.317 2.823 30 40 EFEB N#Cc1cccc(NC(=O)N2CCN(c3ccc(C#N)cc3F)CC2)c1 65591145 BQKYALZSKPFKIX-UHFFFAOYSA-N 349.369 2.923 30 40 EFEB C=CCO[C@H](C)C(=O)N[C@H](C(=O)OC)c1ccccc1C(F)(F)F 65575233 ASPPIHCQDMMKGI-MFKMUULPSA-N 345.317 2.627 30 40 EFEB C#Cc1cccc(NC(=O)CNC(=O)N[C@@H](C)c2ccc(C)o2)c1 80089745 CDHZZEOJOYQLIV-ZDUSSCGKSA-N 325.368 2.568 30 40 EFEB COc1ccccc1[C@H](C#N)NC(=O)c1cc(F)c(F)c(O)c1F 97374761 HNEQZFFVIAWTJB-NSHDSACASA-N 336.269 2.813 30 40 EFEB N#Cc1cccc(NC[C@H](O)COc2ccccc2Br)n1 95967576 HXSPZLCEDNAGCK-LBPRGKRZSA-N 348.200 2.568 30 40 EFEB C=CCSc1nnc(NC(=O)COc2cccc(OC)c2)s1 222860095 YNSJOGJQALTIJI-UHFFFAOYSA-N 337.426 2.842 30 40 EFEB Cc1cccc(OCc2cn(CC(=O)Nc3cccc(C#N)c3)nn2)c1 227167453 WKDHNBOUGPCVKM-UHFFFAOYSA-N 347.378 2.676 30 40 EFEB CCc1cnc(N2CC[C@@]3(CC(=O)N(c4cccc(C#N)c4)C3)C2)nc1 96238878 JEIWAMCNCCYVLM-HXUWFJFHSA-N 347.422 2.544 30 40 EFEB C=CCN(Cc1nc(C)oc1C)S(=O)(=O)c1ccc(OC)cc1 585137321 SGAXRKRQNDRAII-UHFFFAOYSA-N 336.413 2.677 30 40 EFEB CN(Cc1cccc(C#N)c1)C(=O)NCCOc1ncccc1Cl 89361041 PRLOUWBNWHURMQ-UHFFFAOYSA-N 344.802 2.827 30 40 EFEB Cc1nc(-c2cccc(C(=O)N[C@H](C#N)c3ccccc3F)c2)n[nH]1 81659110 NIGHWQBBLURKAF-MRXNPFEDSA-N 335.342 2.914 30 40 EFEB N#C[C@H](CC(=O)OCc1ccccc1)NC(=O)OCc1ccccc1 1635724 YTJJGOCXXZRBEN-KRWDZBQOSA-N 338.363 2.938 30 40 EFEB CC(C)[C@@](C)(C#N)NC(=O)c1cccc(I)c1 32735972 IDFMAQURGAJPLM-CYBMUJFWSA-N 342.180 2.959 30 40 EFEB CN(CCC#N)C(=O)CSc1nc(C2CC2)nc2ccccc12 10940568 FZYOVPTZZRIOQS-UHFFFAOYSA-N 326.425 2.971 30 40 EFEB Cc1csc([C@H]2CN(CCOc3ccc(C#N)cc3)CCO2)n1 65463310 BIIVSNSRDJKNAW-MRXNPFEDSA-N 329.425 2.776 30 40 EFEB N#Cc1ccc(NC(=O)COCC(=O)Nc2ccc(Cl)cc2)cc1 4690483 AZEMUJFVUWZGCF-UHFFFAOYSA-N 343.770 2.805 30 40 EFEB C=CCNC(=O)[C@H](C)Sc1nnc2c(Cl)cc(Cl)cn12 7876126 OFAFVGCLENQETA-ZETCQYMHSA-N 331.228 2.819 30 40 EFEB COc1ccccc1[C@@H](C#N)NC(=O)c1cc(F)c(F)c(O)c1F 97374759 HNEQZFFVIAWTJB-LLVKDONJSA-N 336.269 2.813 30 40 EFEB Cn1cc(C#N)cc1C(=O)N1CCC[C@H]1c1nc(-c2ccccc2)n[nH]1 95448240 IBUPYXJZTFYNRZ-HNNXBMFYSA-N 346.394 2.659 30 40 EFEB Cc1ccc(F)c(NS(=O)(=O)c2cccc(C#N)c2)c1C(=O)O 532648211 WTCKTHMDSSZEBX-UHFFFAOYSA-N 334.328 2.505 30 40 EFEB COC[C@]1(C#N)[C@H](c2ccc(F)cc2)[C@@H]1S(=O)(=O)c1ccccc1 218448700 JAPSKVJVPSFZDR-FGTMMUONSA-N 345.395 2.922 30 40 EFEB N#Cc1cc(S(=O)(=O)N2CCC(=O)c3ccccc32)ccc1Cl 195570051 YPKVEPGTDBQJAK-UHFFFAOYSA-N 346.795 2.993 30 40 EFEB CCOC(=O)C1=C(C)N/C(=N\C#N)N(C)[C@@H]1c1ccc(Cl)cc1 95115779 QAMNTUPHFSIUKT-CQSZACIVSA-N 332.791 2.590 30 40 EFEB C=CCOCc1cncc2c1CCN(S(=O)(=O)c1ccccc1)C2 96189365 VUUKJGLURATJFN-UHFFFAOYSA-N 344.436 2.531 30 40 EFEB CCC[C@@H](C#N)NS(=O)(=O)c1cc(-c2nc(C)co2)ccc1C 585129774 VYUCOZJIJRTIND-AWEZNQCLSA-N 333.413 2.929 30 40 EFEB Cc1nc(C2CC2)cc(N2CCN(Cc3ccc(C#N)cc3)CC2)n1 1888853812 WQZYPQUJWGAQPZ-UHFFFAOYSA-N 333.439 2.856 30 40 EFEB C[C@H](Oc1cccc(F)c1)c1ccnc2nc(/N=C/N(C)C)nn12 100912181 MNZCEZOYFDJLDX-VSMYLPJWSA-N 328.351 2.625 30 40 EFEB O=C[C@@H]1O[C@H](c2ccccc2)O[C@H]2CO[C@@H](c3ccccc3)O[C@H]21 4529600 FGRMUZCQGRXUEH-FKSLSLAPSA-N 326.348 2.782 30 40 EFEB Cc1ccc2cc(C(=O)[C@H](C#N)C(=O)c3nccn3C)c(C)nc2c1 102019080 BYSINXAZOQOBAS-HNNXBMFYSA-N 332.363 2.791 30 40 EFEB Cc1cc(C(=O)N2CCN(Cc3cc(C#N)ccc3F)CC2)c(C)o1 52241304 IOKMSFWERLEPLB-UHFFFAOYSA-N 341.386 2.865 30 40 EFEB N#Cc1c(CCCNC2CCC(C#N)(c3ccccc3)CC2)n[nH]c1N 8395452 OZMKXNAMLZLLNR-UHFFFAOYSA-N 348.454 2.790 30 40 EFEB CC1=NN(c2ccccc2)C(=O)[C@H]1/C=N/c1ccc(O)c(C(=O)O)c1 100149976 HPQMWIYHQNDKNK-RPJLVFAOSA-N 337.335 2.832 30 40 EFEB O/C(Cc1ccc(-n2cccn2)cc1)=N\c1nc(C(F)(F)F)n[nH]1 46812251 FMSBCJPLOSLMTO-UHFFFAOYSA-N 336.277 2.840 30 40 EFEB Cc1noc([C@H](C)N2CCCN(Cc3ccc(C#N)cc3)CC2)n1 44586857 NREXBIYEXJYGSC-AWEZNQCLSA-N 325.416 2.519 30 40 EFEB N#CC1(NC(=O)COC(=O)C2(c3ccccc3)CCCC2)CCCC1 12600716 JVTKHYVREZMJQI-UHFFFAOYSA-N 340.423 2.994 30 40 EFEB N#CCCN(Cc1cccnc1)C(=O)[C@@H]1Cc2cc(Cl)ccc2O1 58403585 VSAHCKXJBSYPRH-KRWDZBQOSA-N 341.798 2.981 30 40 EFEB COc1ccc(C(=O)NC(=O)COc2ccc(C#N)cc2Cl)cc1 12986559 FVMLETBUTDBQOG-UHFFFAOYSA-N 344.754 2.556 30 40 EFEB Cc1ccc(NC2CCN(C(=O)c3cccc(CC#N)c3)CC2)nn1 69918591 ZTZLCSBXMYYMIK-UHFFFAOYSA-N 335.411 2.568 30 40 EFEB COc1ccccc1[C@H](C#N)NC(=O)c1cnn(Cc2ccccc2)c1 71890171 QGUKRJDSEFQABX-SFHVURJKSA-N 346.390 2.935 30 40 EFEB COc1c([C@H]2CCCN2CCOc2ccccc2C#N)c(C)nn1C 72253790 FBQZGBIZBBHRAI-MRXNPFEDSA-N 340.427 2.825 30 40 EFEB C#CCOc1ccc(/C=C2/SC(=O)N(CC=C)C2=O)cc1OC 409106436 NMOLOKXODLGTJC-RVDMUPIBSA-N 329.377 2.930 30 40 EFEB COc1cccc([C@H](O)C(=O)N[C@@H](C#N)c2ccccc2Cl)c1 95450407 KKUFUJIUTJSBJW-HOTGVXAUSA-N 330.771 2.763 30 40 EFEB N#C[C@]1(NC(=O)c2ccc(-c3nc(C4CC4)no3)cc2)CCSC1 79050169 HWROBFOGKCPOHT-QGZVFWFLSA-N 340.408 2.743 30 40 EFEB CN(Cc1ccc([S@@](C)=O)cc1)C(=O)NCc1cccc(C#N)c1 89356109 BFYAVFGIYLPKDI-DEOSSOPVSA-N 341.436 2.637 30 40 EFEB CCc1cnc([C@H](C)NS(=O)(=O)c2cccc(F)c2C#N)s1 95433374 UWHPMMHHACPFGL-VIFPVBQESA-N 339.417 2.756 30 40 EFEB CN(C)c1ccc([C@H]2CCCN2Cc2ccc(C#N)cc2F)nn1 591616797 SJPUSYNYHTUBJB-QGZVFWFLSA-N 325.391 2.890 30 40 EFEB N#Cc1ccc(C(=O)N2CCC[C@H](c3c[nH]c4ncccc34)C2)nc1 602195713 BTWQBSIKPUQXPE-AWEZNQCLSA-N 331.379 2.849 30 40 EFEB C=CCCC[C@H]1NC(=O)[C@@H](c2ccc(C(F)(F)F)cc2)NC1=O 1614626275 ZAKCYYZJBNVKBI-CHWSQXEVSA-N 326.318 2.717 30 40 EFEB N#Cc1ccc(NC(=O)CSc2nnc3[nH]c4ccccc4n23)cc1 6508813 WQOVTUNFVUYVKO-UHFFFAOYSA-N 348.391 2.813 30 40 EFEB Cn1c(-c2ccccc2)nnc1[C@@H](C#N)C(=O)CCc1cscn1 71905035 AEZXPVUOHUVWOK-AWEZNQCLSA-N 337.408 2.748 30 40 EFEB N#CC1(C#N)[C@@H](c2ccncc2)O[C@@]23CCCC[C@@H]2[C@@]1(C#N)C(=N)O3 102715157 KPADPFKCWHSRJR-KJWYOANISA-N 333.351 2.590 30 40 EFEB N#Cc1ccc(CN2CCN(CCOc3ccccc3)CC2)c(F)c1 22848637 CDAAYZYJLIZDSS-UHFFFAOYSA-N 339.414 2.894 30 40 EFEB N#Cc1ccc([C@H](c2nnnn2Cc2ccccc2)N2CCCC2)cc1 57710390 AZZOGALLYLRCGS-LJQANCHMSA-N 344.422 2.778 30 40 EFEB N/C(=N/OCC(=O)N1CCc2sccc2C1)c1cccc(Cl)c1 54888363 QAQQGKXSNSIOGY-UHFFFAOYSA-N 349.843 2.623 30 40 EFEB CC(C)NC(=O)Nc1ccc(CNC(=O)C2(C#N)CCCC2)cc1 58218483 MNTVRAKAPURDKL-UHFFFAOYSA-N 328.416 2.917 30 40 EFEB N#Cc1ccc(Cl)cc1NC(=O)COC(=O)Cc1ccsc1 3319884 XZXKGWQMIOXNDB-UHFFFAOYSA-N 334.784 2.998 30 40 EFEB Cc1ccc(NC(=O)C[C@H]2S/C(=N\C3CCCC3)NC2=O)cc1 13060016 GYNXFWAUJVLTCA-CQSZACIVSA-N 331.441 2.854 30 40 EFEB Cc1sc(NC(=O)CN2C(=O)COc3ccccc32)c(C#N)c1C 14197534 ZNMJOMNKIPFKFE-UHFFFAOYSA-N 341.392 2.601 30 40 EFEB CSc1nnc(SCC(=O)[C@@H](C#N)c2nc(C)cs2)s1 14134778 JHAZJHZAZMTIRM-SSDOTTSWSA-N 342.496 2.994 30 40 EFEB C=CCn1c(CCCC)nnc1SCC(=O)NCc1ccco1 408560157 BZVOMFMQLJDWRH-UHFFFAOYSA-N 334.445 2.808 30 40 EFEB COCc1cc(/C(O)=N/c2nc(-c3ccc(Cl)cc3)n[nH]2)no1 83914634 VMCMMIAFEFUPMY-UHFFFAOYSA-N 333.735 2.896 30 40 EFEB CC(C)c1nc([C@H]2CN(C(=O)C3(C#N)CCCCC3)CCO2)no1 96000822 ZPDPRLJEDFVEPB-CYBMUJFWSA-N 332.404 2.567 30 40 EFEB C[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)N[C@@H](C#N)c1ccsc1 72281826 ZVKRGRMSIDCHGE-YGRLFVJLSA-N 347.827 2.901 30 40 EFEB CN1C(=O)C[C@H](C(=O)Nc2cccc(C#N)c2)[C@@H]1c1ccc(F)cc1 72242294 AZMRXVGVAXJSGI-WMZOPIPTSA-N 337.354 2.855 30 40 EFEB CC(=O)N1CC[C@@H](CN(C)c2ccc(Br)cc2C#N)C1 97083956 FEKFFHUNHSXVSY-LBPRGKRZSA-N 336.233 2.625 30 40 EFEB C/N=C(/NCC(C1CC1)C1CC1)N1CCC(OC[C@@H]2CCCO2)CC1 95410027 VVCQTHWUNROYSX-SFHVURJKSA-N 349.519 2.658 30 40 EFEB CNS(=O)(=O)CCCSc1ccc(C#N)c(C(F)(F)F)c1 95997470 PPAMYMJCWACHKU-UHFFFAOYSA-N 338.376 2.608 30 40 EFEB NC(=S)N/N=C/c1cn(Cc2ccccc2F)c2ccccc12 408977176 UQZZVMJPYVUEHK-AWQFTUOYSA-N 326.400 2.996 30 40 EFEB N#CC1(c2ccc(NC(=O)c3cnc4sccn4c3=O)cc2)CC1 223035647 BOCIUMMCGUZURU-UHFFFAOYSA-N 336.376 2.563 30 40 EFEB C[C@]12CC[C@@H]3[C@H](CCC4=CC(=O)CC[C@@]43C)C1=CC[C@]2(O)C(=O)CO 253617503 QMCQLOCQPSAHFY-LPKWFMKBSA-N 344.451 2.731 30 40 EFEB N#Cc1c(-c2cccc(Br)c2)nc2n(c1=O)CCS2 14608391 CRCOEYHUZRBDRC-UHFFFAOYSA-N 334.198 2.650 30 40 EFEB c1ccc(N/N=C(\CN2CCOCC2)c2cnc3ccccc3n2)cc1 19923650 URFQSAQQWCUPIH-HIXSDJFHSA-N 347.422 2.778 30 40 EFEB C=CCOC[C@@H]1CN(CCc2ccccc2)Cc2nnn(CC)c21 2055747757 UWMZWEUZWCQFJQ-KRWDZBQOSA-N 326.444 2.643 30 40 EFEB Cc1ccccc1C(=O)N1CCN(c2oc(C3CC3)nc2C#N)CC1 47460522 SEYNJWHEEBAEPO-UHFFFAOYSA-N 336.395 2.695 30 40 EFEB CC(=O)c1cc(C#N)c(S[C@H](C)C(=O)NCc2ccco2)nc1C 23223980 KCGMGAMRRCETNB-GFCCVEGCSA-N 343.408 2.854 30 40 EFEB N#CCCN(c1ccccc1)S(=O)(=O)c1csc(C(=O)O)c1 106364984 LAKVNTKSMPMNIM-UHFFFAOYSA-N 336.394 2.555 30 40 EFEB Cc1csc(N2CCCN(CCOc3cccc(C#N)c3)CC2)n1 58157319 WPUFMMSCDJAKSS-UHFFFAOYSA-N 342.468 2.914 30 40 EFEB CC1(C)CC(=O)C2(C(=O)C1)[C@H](c1ccc([N+](=O)[O-])cc1)C2(C#N)C#N 5727671 NQOQKCIUNHLJQH-OAHLLOKOSA-N 337.335 2.670 30 40 EFEB N#Cc1ccc(CN2CCC(CC(=O)N3CCCC3)CC2)c(F)c1 71852355 HLBOVXKNGRUNES-UHFFFAOYSA-N 329.419 2.922 30 40 EFEB O=S(=O)(/N=C(\O)c1cc(C2CC2)n[nH]1)c1cccc2ncccc12 71803830 NPNNOEWOVWZZQQ-UHFFFAOYSA-N 342.380 2.529 30 40 EFEB CC(C)(C)OC(=O)NC[C@H]1CCN(CCOc2cccc(C#N)c2)C1 75582093 YTDJQWYIEOYKLL-MRXNPFEDSA-N 345.443 2.784 30 40 EFEB N#Cc1ccc(C(=O)N(CCCO)Cc2cccc(Cl)c2)nc1 95441463 YHORMYSXJIEBGF-UHFFFAOYSA-N 329.787 2.631 30 40 EFEB CCN(C[C@@H](C)C#N)S(=O)(=O)c1cc(C)ccc1Br 95980066 PVBQSNGVLDDBHS-NSHDSACASA-N 345.262 2.928 30 40 EFEB C=CCNc1ccc(C(=O)O)cc1S(=O)(=O)Nc1ccccc1 217503594 ZHHAJFDVGRAANV-UHFFFAOYSA-N 332.381 2.784 30 40 EFEB C[C@@](C#N)(NC(=O)CSc1nnc(-c2ccccc2)o1)C1CC1 8281698 LYWIGBFLILRSDX-INIZCTEOSA-N 328.397 2.637 30 40 EFEB O=C(NO)c1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 226290027 GZKWNFZDRIYNOD-UHFFFAOYSA-N 327.090 2.736 30 40 EFEB N#Cc1cccc(S(=O)(=O)Nc2ccc(N3CCCCC3)cn2)c1 96408041 GCDGWTGJIAZHFO-UHFFFAOYSA-N 342.424 2.744 30 40 EFEB C=CCNC(=O)C1(C[C@@H]2CC(c3ccc(F)cc3)=NO2)CCOCC1 12226160 OOKXVHCQMJDFFS-INIZCTEOSA-N 346.402 2.808 30 40 EFEB O=C1NC2(CCCCC2)C(=O)N1/N=C/c1ccccc1OC(F)F 3527397 RGFOHWBNPWIVDR-VXLYETTFSA-N 337.326 2.877 30 40 EFEB O=[N+]([O-])c1ccc(NN=C2[C@@H]3CC4C[C@@H]2CC(O)(C4)C3)c([N+](=O)[O-])c1 100933180 QIGAXIMBSIOSMJ-BRIPAJLNSA-N 346.343 2.842 30 40 EFEB Cc1cc([C@H]2CCCN2C(=O)[C@H](C)Oc2ccc(C#N)cc2)on1 47294345 FIAOTNBXICYDBV-XJKSGUPXSA-N 325.368 2.986 30 40 EFEB Cc1ccc(CN(C)CC(=O)Nc2c(C#N)cnn2-c2ccccc2)o1 58281454 AUQIRZUVJGDZND-UHFFFAOYSA-N 349.394 2.716 30 40 EFEB CC(C)(C)c1nc(CNC(=O)C(=O)Nc2cccc(C#N)c2)cs1 69566609 QHSKRQBFXQAXJP-UHFFFAOYSA-N 342.424 2.567 30 40 EFEB COc1nc(/C(=C/c2cccc([N+](=O)[O-])c2)C(C)=O)nc(OC)c1C 6996152 SZANPVXRMUOCOD-NTEUORMPSA-N 343.339 2.840 30 40 EFEB Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N(C)Cc1cccs1 72274746 UAWIADKAIRGIAX-UHFFFAOYSA-N 329.425 2.516 30 40 EFEB C#CCCN1CCC(NC(=O)Cc2coc3cc(OC)ccc23)CC1 72293048 NQHXNHLOBGESRG-UHFFFAOYSA-N 340.423 2.588 30 40 EFEB N#CC1(NC(=O)c2cccc(Br)c2Cl)CCOCC1 97054971 AWXIWGHOJORAAN-UHFFFAOYSA-N 343.608 2.905 30 40 EFEB CC/N=C(\NCc1cnn(C)c1)NC[C@H](C)c1ccc(F)c(F)c1 95963523 XFDIISVHWVFSOE-LBPRGKRZSA-N 335.402 2.557 30 40 EFEB C=C1[C@H]2CC[C@@]3(CC[C@H]4[C@]5(C=[N+](CCO)C[C@]4(C)CCC5)[C@@H]3C2)[C@@H]1O 4023273 RXGJFLXLQIECAN-BZDFKLGJSA-N 344.519 2.996 30 40 EFEB biogenic Cc1ccc([C@@H](C)/C(O)=N/S(=O)(=O)C[C@H]2CCCCO2)cc1 78411461 PLANUNPLHSUTNI-UKRRQHHQSA-N 325.430 2.954 30 40 EFEB Cc1ccc([C@H]2[C@H](S(=O)(=O)c3ccc(C)cc3)[C@@]2(C#N)C=O)cc1 225657730 PXQUULOJWGSJQP-FHWLQOOXSA-N 339.416 2.952 30 40 EFEB N#Cc1cncc(N2C[C@H]3CC[C@H]2[C@@H]2CN(Cc4ccccc4)C[C@@H]32)n1 585091420 GURSEAFPJAVQIY-MDNKFWRPSA-N 345.450 2.695 30 40 EFEB C#CCCC1(CCC(=O)N[C@H](C(=O)O)c2ccc(C)c(C)c2)N=N1 1616033048 ZMKCLOOGDQZBOU-INIZCTEOSA-N 327.384 2.901 30 40 EFEB CC/C(=N\NS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1)c1ccccc1 5163556 OVVDLPZTWPDLQZ-BMRADRMJSA-N 347.396 2.996 30 40 EFEB O=C(/N=C1/SCCN1C[C@@H](O)c1ccccc1)c1ccccc1 12377732 JEGWTEIJTJLCOT-VRTBNJGNSA-N 326.421 2.965 30 40 EFEB COc1ccc(S(=O)(=O)N(CC#N)C2CCCC2)cc1Cl 159559823 STYXBQRNSUZHCQ-UHFFFAOYSA-N 328.821 2.805 30 40 EFEB COc1cccc([C@@H]2C(C(C)=O)=C(O)C(=O)N2c2ccc(O)cc2)c1 273483 BCDBQNALJSJQPC-QGZVFWFLSA-N 339.347 2.890 30 40 EFEB CC(C)[C@@H](C#N)N1CCN(c2ccc([N+](=O)[O-])c3cnccc23)CC1 71920550 CQACWZSSBTVDNE-GOSISDBHSA-N 339.399 2.813 30 40 EFEB COc1ccc([C@@H]2[C@@H](C#N)C(=O)Nc3nc4ccccc4n32)c(OC)c1 20637909 SHZXKWSYNGGRKN-CXAGYDPISA-N 348.362 2.735 30 40 EFEB CCC[C@H](C#N)NC(=O)[C@H](C)n1c(S)nnc1-c1cccs1 65591100 ZXVVGMDECPTKOF-VHSXEESVSA-N 335.458 2.665 30 40 EFEB CCc1ccc(S(=O)(=O)N/N=C(/C)COc2ccccc2)cc1 6958377 PAIJWBLYJMVBCM-JXAWBTAJSA-N 332.425 2.982 30 40 EFEB Cc1cccc(C(=O)O[C@@H](C)C(=O)NC2(C#N)CCCCC2)c1O 7701306 GFQUGKXRFFOUPZ-ZDUSSCGKSA-N 330.384 2.589 30 40 EFEB Cc1cnn(C[C@H]2CCCCN2C(=O)COc2ccc(C#N)cc2)c1 71865638 HEUINDKIJCZRKT-QGZVFWFLSA-N 338.411 2.523 30 40 EFEB COc1ccc2c(c1)C(=O)/C(=C\c1ccc(O)c([N+](=O)[O-])c1)CO2 96993457 OUUAMICGCDRFLX-WDZFZDKYSA-N 327.292 2.968 30 40 EFEB Cc1cccc(N=C[C@@H]2C(=O)NC(=O)N([C@H]3C[C@H]4CC[C@H]3C4)C2=O)c1 408527376 NKPXGNQJHOPWCJ-UGQVUOCMSA-N 339.395 2.581 30 40 EFEB C[C@H]1CCCN(C(=O)Cn2c(C#N)cc(N)c2Cc2ccccc2)C1 225858643 HNBPUEYAZPSDOW-HNNXBMFYSA-N 336.439 2.791 30 40 EFEB N#Cc1ccsc1C(=O)N[C@H]1CCN(c2c(F)cccc2F)C1 88250720 DXCFGHHACIIFMS-NSHDSACASA-N 333.363 2.907 30 40 EFEB Cc1sc(NC(=O)CN(Cc2cnn(C)c2)C(C)C)c(C#N)c1C 96455896 NCVTZEBUQOYNRU-UHFFFAOYSA-N 345.472 2.819 30 40 EFEB CC1=C/C(=N/C2=C(Cl)C(=O)c3c(O)cccc3C2=O)C=CC1=O 100252716 ZZIJZLKPURAUIU-DJKKODMXSA-N 327.723 2.748 30 40 EFEB C[C@](C#N)(NC(=O)CSc1ccc(Br)cn1)C1CC1 52914773 NBRJNQSPQBBCKK-CYBMUJFWSA-N 340.246 2.745 30 40 EFEB C=CCNC(=O)[C@@H]1CC(=O)N(CCCC)[C@H]1c1ccc(OC)cc1 22689226 LDUHBHQFKSMIJZ-AEFFLSMTSA-N 330.428 2.687 30 40 EFEB COc1ccc([C@H]2[C@H](C#N)C(=O)Nc3nc4ccccc4n32)cc1OC 20637956 FBCNAWAMJCLTOP-SJCJKPOMSA-N 348.362 2.735 30 40 EFEB CNC(=S)N/N=C/c1c(C)nn(-c2cccc(Cl)c2)c1Cl 8691987 QAHWDHIBHZMVSY-REZTVBANSA-N 342.255 2.915 30 40 EFEB Cc1ccc(C(=O)N2CCN(c3ccc(Cl)c(C#N)n3)CC2)s1 65552289 VBEYBXMBFDKSHN-UHFFFAOYSA-N 346.843 2.939 30 40 EFEB CN(C1CCCCC1)S(=O)(=O)c1ccc(SCC#N)nc1 5689267 UCRXGEIDLGOUFF-UHFFFAOYSA-N 325.459 2.650 30 40 EFEB C[C@H](c1nc(C2CC2)no1)N1CC[C@H](CNc2ncccc2C#N)C1 65512116 FCANELVTWRYIEO-CHWSQXEVSA-N 338.415 2.709 30 40 EFEB COc1ccccc1[C@@H](C#N)NC(=O)CCc1cccc([N+](=O)[O-])c1 87292314 IFJNCCOPSITUQM-MRXNPFEDSA-N 339.351 2.917 30 40 EFEB Cc1nc(NCc2ccc([N+](=O)[O-])cc2)n(-c2ccc(C#N)cc2)n1 95945588 GPJFIVGJVVNJOQ-UHFFFAOYSA-N 334.339 2.968 30 40 EFEB CC(=O)n1cc(C=Nn2c(O)nc3ccccc3c2=O)c2ccccc21 409356932 IBENEJMSELGYOY-UHFFFAOYSA-N 346.346 2.599 30 40 EFEB N#Cc1cccc(NC(=O)CSc2nc(-c3ccco3)n[nH]2)c1 32873547 BLGHKVDEMGHFKL-UHFFFAOYSA-N 325.353 2.667 30 40 EFEB N#C[C@]1(C=O)[C@@H](S(=O)(=O)c2ccc(Cl)cc2)[C@@H]1c1ccccc1 225634542 LAOQKYXEDYTYNM-YESZJQIVSA-N 345.807 2.989 30 40 EFEB C#CCCCNC(=O)N1CCC[C@H]2CN(C(=O)OC(C)(C)C)CC[C@H]21 1616034792 NSXICKNZTCUWRJ-JKSUJKDBSA-N 349.475 2.831 30 40 EFEB Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H]1CCc2ccccc21 53476866 WQYVYZVWYLBKFK-GOSISDBHSA-N 335.407 2.600 30 40 EFEB Cc1cc([C@H]2CCCN(C(=O)[C@H](C)Oc3ccccc3C#N)C2)n[nH]1 78901887 OSFBKAMXLMQTML-HOCLYGCPSA-N 338.411 2.763 30 40 EFEB CCNCC#CCOC(=O)[C@@](O)(c1ccccc1)C1CCCCC1 2583356 SNIBJKHIKIIGPR-HXUWFJFHSA-N 329.440 2.611 30 40 EFEB world Cc1ccc(C2=NN(C)C(=N)/C2=N/Nc2ccc(C(=O)O)cc2)cc1 101389065 LSSYVVIDJJFJHK-RWGRRXIQSA-N 335.367 2.788 30 40 EFEB COCCCN1/C(=N/c2cccnc2)SC[C@@]1(O)c1ccccc1 3336428 DWJWYBKZUFCWCC-FBKQIBBUSA-N 343.452 3.000 30 40 EFEB C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CNCc4ccco4)[C@H]3[C@@H]3O[C@@]132 4084951 DPPIWYDVSJYNIM-COKFHCAMSA-N 345.439 2.895 30 40 EFEB biogenic COc1ccc(/C=N/N=C2/NC(=O)[C@H](Cc3ccccc3)S2)cc1 5214069 JGQVEVIVUMXFCP-QUYZQLMHSA-N 339.420 2.859 30 40 EFEB N#Cc1cccc(S(=O)(=O)Nc2cccc(N3CCCC3)c2)c1 95395401 DLYWDCGFKKPCOY-UHFFFAOYSA-N 327.409 2.959 30 40 EFEB Cc1cc(N(CC2CCC2)S(=O)(=O)c2cccc(C#N)c2)no1 95435647 DZTRHHACMBCOBV-UHFFFAOYSA-N 331.397 2.850 30 40 EFEB N#Cc1cccc(CN2CCOC[C@H]2c2nc(-c3ccncc3)c[nH]2)c1 72322073 FRLAATCSFUTVMA-IBGZPJMESA-N 345.406 2.917 30 40 EFEB biogenic,in-vitro CN1CCN(c2c(N)cc(C#N)n2Cc2cccc3ccccc23)CC1 225869407 HERLELFBVDCQCB-UHFFFAOYSA-N 345.450 2.895 30 40 EFEB CCOc1ccc(N(CCC#N)C(=O)c2cnc3c(c2)ncn3C)cc1 97235347 WGIKFQHLTGNBCN-UHFFFAOYSA-N 349.394 2.927 30 40 EFEB C#C[C@@H](NC(=O)Cc1c[nH]c2cccc(Cl)c12)C1CCOCC1 583651020 DEPMGEBRYOJQQW-OAHLLOKOSA-N 330.815 2.908 30 40 EFEB N#Cc1ccc(N2C[C@H]3CC[C@H]2[C@@H]2CN(Cc4ccccc4)C[C@H]32)nn1 585091413 GUBCTNWGBQOOHA-AFYVEPGGSA-N 345.450 2.695 30 40 EFEB C=CC[C@H](C)NC(=O)Nc1ccc(CN=[S@](C)(=O)N(C)C)cc1 1616039142 WOZUKDSVXWTPJM-NPMABZOXSA-N 338.477 2.847 30 40 EFEB N#CC1(C#N)[C@H]2CCCC[C@]23OC(=N)[C@@]1(C#N)[C@@H](c1ccncc1)O3 4035904 CVUIEDKBCHRKOC-DTDBQYNISA-N 333.351 2.590 30 40 EFEB N#Cc1c(N)c(C(=O)c2ccc3c(c2)OCCO3)n2c1CCCCC2 12375071 NXOYOVLBMIRYQG-UHFFFAOYSA-N 337.379 2.671 30 40 EFEB N#Cc1ccc(CN2CCCN(C(=O)C3(C#N)CCCC3)CC2)cc1 32466659 BWMUNZQVHOQJOZ-UHFFFAOYSA-N 336.439 2.677 30 40 EFEB Cc1ccc(S(=O)(=O)N(CCC#N)Cc2cccnc2)cc1C 42136848 YEYXLBCNSSNNLO-UHFFFAOYSA-N 329.425 2.803 30 40 EFEB Cc1nn2c(=O)cc(CN(c3cccc(C#N)c3)C(C)C)nc2s1 58214532 DNXNFHFACHBUHE-UHFFFAOYSA-N 339.424 2.746 30 40 EFEB N#Cc1ccc(CNC[C@@H](c2cccs2)N2CCOCC2)cc1 48324780 VQXLEJLZGRPMEG-KRWDZBQOSA-N 327.453 2.783 30 40 EFEB C[C@H](NC(=O)Nc1ccc(-n2ncc(C#N)c2N)cc1)c1cccnc1 69772523 PJLSJHFTOIXGIK-LBPRGKRZSA-N 347.382 2.604 30 40 EFEB N#Cc1cc(NCc2cccc(OCC(N)=O)c2)nc2ccccc12 91484796 DQCIZFMBUPQZJE-UHFFFAOYSA-N 332.363 2.583 30 40 EFEB N#CCCn1ncc2c(Nc3ccc4c(c3)OCCCO4)ncnc21 65519901 NBQYRMZXEURXLV-UHFFFAOYSA-N 336.355 2.645 30 40 EFEB CCNc1ccc(C#N)cc1NCC(=O)NCc1ccccc1F 79054880 RHMYWPQCCJCGAZ-UHFFFAOYSA-N 326.375 2.857 30 40 EFEB O=C(C[C@H]1CC2=C(CCCC2=O)NC1=O)Nc1ccc(Cl)cc1 1548338231 MYXFSFKYYJUHPP-SNVBAGLBSA-N 332.787 2.812 30 40 EFEB CC(C)S(=O)(=O)/N=C(\O)CSc1ccc(C(F)(F)F)cn1 78556565 OJVWBKLARLBWTE-UHFFFAOYSA-N 342.364 2.887 30 40 EFEB C=CCSc1nnc(NS(=O)(=O)c2ccc(C)cc2)s1 224875219 QJIGUCQYBLGZAP-UHFFFAOYSA-N 327.456 2.925 30 40 EFEB C=CCOC[C@H]1CN(C(=O)CCc2ccccc2)Cc2nccn2C1 96187856 SISVOMCXTHUZEZ-GOSISDBHSA-N 339.439 2.677 30 40 EFEB N#C[C@]1(C=O)[C@H](c2cccc(Cl)c2)[C@H]1S(=O)(=O)c1ccccc1 252515422 JRXUQBLTUKNJPY-ZACQAIPSSA-N 345.807 2.989 30 40 EFEB COc1ccc(-n2nc(C#N)c(N3CCc4ccccc4C3)n2)cc1 256048122 QVZBTYJIKQFRQX-UHFFFAOYSA-N 331.379 2.710 30 40 EFEB Cc1nc([C@H]2CCCCCN2C(=O)COc2ccccc2C#N)no1 96001104 WROWFADBIQAIAR-OAHLLOKOSA-N 340.383 2.772 30 40 EFEB C[C@@H](C#N)CSc1ccccc1NC(=O)CN1CCOC(C)(C)C1 69820349 FBGSWTCAQCXFBO-AWEZNQCLSA-N 347.484 2.988 30 40 EFEB C=CCN(C(=O)CCCc1ccc(C)cc1)[C@H]1CCS(=O)(=O)C1 69847166 MOAZZEDNHJZBKQ-KRWDZBQOSA-N 335.469 2.519 30 40 EFEB COc1ccc(/C(C#N)=N/OS(=O)(=O)c2ccc(C)cc2)cc1 6666994 PCXUSBICWPJFTN-FBMGVBCBSA-N 330.365 2.637 30 40 EFEB Cc1cc(C)nc(-n2nc(C)c(C#N)c2NC(=O)Cc2ccccc2)n1 10382123 JEHZSHXVDWQORB-UHFFFAOYSA-N 346.394 2.640 30 40 EFEB COc1nc2ccccc2nc1[C@@H](C#N)S(=O)(=O)c1ccccc1 3137160 KWJCPGWFDAZIJD-OAHLLOKOSA-N 339.376 2.677 30 40 EFEB CC1=NOC(=O)/C1=C/c1ccc(OS(=O)(=O)c2ccccc2)cc1 100151867 PGDWNMRJIIVWGI-LFIBNONCSA-N 343.360 2.770 30 40 EFEB Cc1cc(N2CCN(C(=O)c3ccc(C#N)cc3)CC2)nc(C(C)C)n1 11077287 JCUAFAHIQVBTEG-UHFFFAOYSA-N 349.438 2.743 30 40 EFEB Cc1ccccc1OCC(=O)OCC(=O)N(C)C1(C#N)CCCCC1 7601599 QQICYUASGAJEFI-UHFFFAOYSA-N 344.411 2.602 30 40 EFEB Cn1c(=O)n(C)c2cc(/C=N/Nc3nc4ccccc4s3)ccc21 409085883 TVOHOSVRFPVOKV-VCHYOVAHSA-N 337.408 2.933 30 40 EFEB N#Cc1cccc(S(=O)(=O)N(Cc2ccco2)CC(F)(F)F)c1 14239403 ZJULXYGGNRSCCE-UHFFFAOYSA-N 344.314 2.904 30 40 EFEB COc1cc(C#N)ccc1OCC(=O)N1C(C)(C)CC(=O)CC1(C)C 8768022 SZUCSFBFBLHZTA-UHFFFAOYSA-N 344.411 2.694 30 40 EFEB CC[C@@H](/C(O)=N/S(=O)(=O)c1cnn(CC)c1)c1ccc(F)cc1 97142068 ZPURAUWQJXTYRE-CQSZACIVSA-N 339.392 2.881 30 40 EFEB CCN(C)Cc1cccc(CNc2ncnc3c2cnn3CCC#N)c1 97199931 AXASRGRBLBGQNH-UHFFFAOYSA-N 349.442 2.804 30 40 EFEB N#Cc1ccc(NC(=O)CNc2cccc3c2C(=O)NC3)cc1Cl 95349844 VAWQURKLIBEAEA-UHFFFAOYSA-N 340.770 2.506 30 40 EFEB CC(=O)C1=C(O)C(=O)N(c2ccc(O)cc2)[C@@H]1c1ccc(O)cc1 66088167 RLZROHKTYQNFLJ-MRXNPFEDSA-N 325.320 2.587 30 40 EFEB Cc1csc2ncnc(N3CC[C@@H](Oc4ccc(C#N)cn4)C3)c12 568603585 BOBSQWGSBOBGDG-CYBMUJFWSA-N 337.408 2.924 30 40 EFEB C=CCNC(=S)Nc1nc(N2CCCCC2)cc(C(F)(F)F)n1 225925970 XADYXIFQCOJXOQ-UHFFFAOYSA-N 345.394 2.958 30 40 EFEB C=CCN1C[C@@H]2CN(Cc3ccc(C)o3)CCC[C@]2(C(=O)OCC)C1 96055974 OGWMBNUWBOCFJO-PXNSSMCTSA-N 346.471 2.851 30 40 EFEB C=CCOc1ccccc1C(=O)NC1CCN(C2CCOCC2)CC1 585130930 GFDKXCAXFCSZCI-UHFFFAOYSA-N 344.455 2.625 30 40 EFEB O=C(O)C[C@@H](S/C(=N/[C@H]1C=CCCC1)N1CCCCC1)C(=O)O 16138029 ISEWGGUUYPUOIZ-AHIOURIWSA-N 340.445 2.598 30 40 EFEB N#Cc1cccc(C(=O)NC[C@@H]2CCCN(c3nccs3)C2)c1 206830187 QXTTWUAEHOSXAL-AWEZNQCLSA-N 326.425 2.661 30 40 EFEB Cc1nn(C)c(N2CCC(Oc3ccc(C#N)cc3)CC2)c1[N+](=O)[O-] 69624127 DWNKLKTWVHFNJG-UHFFFAOYSA-N 341.371 2.556 30 40 EFEB CN(Cc1ccccc1F)C(=O)c1cccc(-n2ncc(C#N)c2N)c1 69630665 HQOXGFQHUQLECN-UHFFFAOYSA-N 349.369 2.737 30 40 EFEB COc1ccccc1-c1n[nH]c(=S)n1/N=C/c1ccc(O)c(O)c1 2697953 RCZJDTUWVQQDEK-RQZCQDPDSA-N 342.380 2.910 30 40 EFEB C=C(C)CN(CC)C(=O)c1ccc2c(=O)n(CC)c(S)nc2c1 101382750 OKVBIPMOJRJAHN-UHFFFAOYSA-N 331.441 2.743 30 40 EFEB N#Cc1c(NC(=O)[C@H]2[C@@H](C(=O)O)[C@H]3C=C[C@H]2C3)sc2c1CCC2 102633305 ZQLFEWDEONGWSL-AWRWRYAPSA-N 328.393 2.570 30 40 EFEB Cc1nccn1-c1ncccc1NC(=O)[C@H](C)Oc1ccc(C#N)cc1 47174658 HLNUHAJAKIOFPL-ZDUSSCGKSA-N 347.378 2.853 30 40 EFEB C#CCNC(=O)COc1ccc(C(=O)c2ccc(Cl)cc2)cc1 8204434 AVIHOCQIKCEEOZ-UHFFFAOYSA-N 327.767 2.699 30 40 EFEB O=[N+]([O-])c1ccccc1S(=O)(=O)/N=C(\O)c1cc(F)ccc1F 48423195 QDDUPXOTMPMRAF-UHFFFAOYSA-N 342.279 2.567 30 40 EFEB N#Cc1ccc(C(=O)N[C@H](CN2CCCC2=O)c2ccccc2)cc1 48956564 ORQPVHIWZVAOJX-GOSISDBHSA-N 333.391 2.652 30 40 EFEB CN(C)C(=O)c1cn(CCC#N)nc1-c1cccc(Br)c1 65565902 FDKAQYOUNXACPM-UHFFFAOYSA-N 347.216 2.928 30 40 EFEB N#CC1(NC(=O)COC(=O)Cc2c[nH]c3ccccc23)CCCCC1 5400716 XTOKVZWIFOUYOL-UHFFFAOYSA-N 339.395 2.596 30 40 EFEB N#Cc1cccc(CNC(=O)N2CCO[C@H](c3cccc(F)c3)C2)c1 67062556 ZDIROUNOBQTXEA-SFHVURJKSA-N 339.370 2.980 30 40 EFEB COCCOc1ccc(/C=C2/CCc3c(cnn3C)C2=O)cc1OC 96307352 QWLNOFPLBAPMIN-UVTDQMKNSA-N 342.395 2.666 30 40 EFEB C=CCn1cc(C(=O)N2C[C@@H](C(N)=O)CC[C@H]2C)c2ccccc21 71830077 FQVKTOFFEADRLM-KGLIPLIRSA-N 325.412 2.553 30 40 EFEB C[C@@H](/N=C(\NCc1ccccc1)NCc1nccs1)[C@H]1CCCO1 71804087 DAQPZCPHXOMVMA-GDBMZVCRSA-N 344.484 2.946 30 40 EFEB N#Cc1c(F)cccc1N[C@H]1CCN(Cc2ccccc2)C[C@H]1CO 78869517 SMWOLXQORXBSDR-LPHOPBHVSA-N 339.414 2.992 30 40 EFEB C=CCOc1ccc(CN[C@@H]2CCN(C(=O)C3CC3)C[C@@H]2C)cc1 78898094 XEYKZEDUFODYJM-HNAYVOBHSA-N 328.456 2.988 30 40 EFEB Cc1ccc(CC/C(O)=N/S(=O)(=O)c2cn(C(C)C)cn2)o1 95453443 ZEUBUWAZHJUVAY-UHFFFAOYSA-N 325.390 2.643 30 40 EFEB Cc1cccc(NS(=O)(=O)c2cccc(-c3nnco3)c2)c1C#N 95987683 BNZQHZJOIJCPJA-UHFFFAOYSA-N 340.364 2.718 30 40 EFEB Cc1cc(F)c(S(=O)(=O)/N=C(\O)CCc2cccnc2)cc1F 96485452 MAQITKXCSJDKAM-UHFFFAOYSA-N 340.351 2.946 30 40 EFEB C=CCN1C(=O)CCC[C@]12CCCN(C(=O)c1cccc(OC)c1)C2 96229918 RGQNPEUGWVBHML-HXUWFJFHSA-N 342.439 2.869 30 40 EFEB CC1=CC(=O)/C(=C\Nc2cccc(-c3nc4cccnc4[nH]3)c2)C(=O)O1 1547201162 YNPGGWOXGUTEPK-GXDHUFHOSA-N 346.346 2.950 30 40 EFEB C[C@H]1CN(CCC(=O)Nc2sc3c(c2C#N)CCCC3)C[C@@H](C)O1 13165136 PFAJWSHTJBNQRL-BETUJISGSA-N 347.484 2.936 30 40 EFEB Cc1cc(C)nc(-n2nc(C)c(C#N)c2NC(=O)C2CCCCC2)n1 14608424 XVBKBLJZEQKFLJ-UHFFFAOYSA-N 338.415 2.978 30 40 EFEB COc1ccc([N+](=O)[O-])cc1/C=N/n1c(C)nc2ccccc2c1=O 61920 DVEZWSFDKURKLU-VCHYOVAHSA-N 338.323 2.504 30 40 EFEB CC/N=C(\NC[C@H]1CCN(C)C1)NC[C@H](C)c1ccc(F)c(F)c1 108353585 NDWVMTDZPANZTF-UONOGXRCSA-N 338.446 2.575 30 40 EFEB C[C@]12C=CC(=O)C=C1CC[C@@H]1[C@@H]3CCC(=O)O[C@]3(C)CC(=O)[C@]12F 8616253 YIGCZRBQSHBYRL-HLULTAIVSA-N 332.371 2.861 30 40 EFEB CCN(CC)C(=O)CN(C)c1cc(C)c(C#N)c2nc3ccccc3n12 23053361 CRGQNZKZQLHAQB-UHFFFAOYSA-N 349.438 2.972 30 40 EFEB N#Cc1ccc(Cl)cc1NC(=O)COC(=O)c1ccc([N+](=O)[O-])o1 3313239 PFSWPOYSIVATGC-UHFFFAOYSA-N 349.686 2.508 30 40 EFEB CCN(CC)c1ccc(C=NN2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)cc1 409404003 BIPBMNLOIRXGKS-UOVPBQLFSA-N 337.423 2.674 30 40 EFEB C/N=C(/NC[C@H]1C[C@H]2CC[C@H]1O2)NCC1(c2ccccc2F)CC1 110677774 LTXPADJMXVBUSB-CKEIUWERSA-N 331.435 2.590 30 40 EFEB N#C[C@@H](NC(=O)CCc1nncn1-c1ccccc1)c1ccccc1F 96430884 SLUCFBOUNNMQLI-QGZVFWFLSA-N 349.369 2.720 30 40 EFEB CC(=O)N1CCC(=NOC(=O)c2ccccc2Br)CC1 408613730 ZUNKHMKKBKOYDJ-UHFFFAOYSA-N 339.189 2.604 30 40 EFEB N#CCc1ccc(OCCNC(=O)N2C[C@H]3CC=CC[C@@H]3C2)cc1 76088420 FPNZGYCRPNBICL-IAGOWNOFSA-N 325.412 2.739 30 40 EFEB Cc1cc(C)n(-c2ccc(NCCNc3ncccc3C#N)nc2)n1 85658630 JZHCJWAWMOFCDN-UHFFFAOYSA-N 333.399 2.675 30 40 EFEB C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)c1cccc2nn[nH]c12 187592534 OSMLRWOVZMCQPB-UHFFFAOYSA-N 337.339 2.695 30 40 EFEB COC(=O)COc1ccc(NC(=O)C2(C#N)CCCC2)cc1Cl 132998989 PZQJNKQDKHMXPB-UHFFFAOYSA-N 336.775 2.914 30 40 EFEB O=S(=O)(/N=C(\O)c1cccs1)c1cnn(Cc2ccccc2)c1 96452589 DGSMFWXFIFGXMG-UHFFFAOYSA-N 347.421 2.686 30 40 EFEB CCCc1c(/C(O)=N/S(=O)(=O)C(C)C)cnn1-c1ccccc1 96502338 LUFNATSZJLYEKO-UHFFFAOYSA-N 335.429 2.868 30 40 EFEB CCO[C@H]1C[C@@H](Nc2nc3ncccc3cc2C#N)C12CCOCC2 596194005 IDBLMUZAFSKEGI-CVEARBPZSA-N 338.411 2.888 30 40 EFEB C[C@@H]1CCN(c2ccc(F)cc2F)CCN1c1cc(C#N)ncn1 1615002013 VLKYOCFXSBGXPH-GFCCVEGCSA-N 329.354 2.732 30 40 EFEB C[C@](C#N)(NC(=O)CN(Cc1cccs1)C[C@H]1CCCO1)C1CC1 36435386 DWBFRCBMSAXVTG-CRAIPNDOSA-N 347.484 2.538 30 40 EFEB Cc1ccc(C(=O)[C@H](C#N)C(=O)CCn2c(C)csc2=O)s1 102763722 KJJHQVHTWMIYAQ-LLVKDONJSA-N 334.422 2.570 30 40 EFEB CN(C)c1cc(C(=O)N(CC#N)Cc2ccccc2)cc(Cl)n1 71903499 IGJBSDJBBFCQQD-UHFFFAOYSA-N 328.803 2.967 30 40 EFEB N#Cc1cnn(-c2ccc(NC(=O)NCc3cccs3)cc2)c1N 58434652 FNXNRVZCQRHUMG-UHFFFAOYSA-N 338.396 2.709 30 40 EFEB CCOC(=O)c1s/c(=N\N=C\c2ccc(N(C)C)cc2)[nH]c1C 9089898 KOQVGOKQWDKPML-LICLKQGHSA-N 332.429 2.562 30 40 EFEB COc1cc(/C=C2/S/C(=N/C3CCCC3)NC2=O)cc(OC)c1O 96288901 TYGVPEOCJAHCOD-NTEUORMPSA-N 348.424 2.912 30 40 EFEB COCC[C@@H](Cc1cccc(Br)c1)C(=O)N(C)CC#N 96420718 GJZZEKXUSBALMZ-ZDUSSCGKSA-N 339.233 2.626 30 40 EFEB Cc1cc([C@@H]2CCCN(C(=O)Cc3ccc(OCC#N)cc3)C2)n[nH]1 84110581 GRQWFGAGTMGQOE-MRXNPFEDSA-N 338.411 2.569 30 40 EFEB C#CCN(C[C@H]1CCCO1)C(=O)NCCc1cc2ccccc2o1 72292626 YOGLVMFDDZGKOE-QGZVFWFLSA-N 326.396 2.799 30 40 EFEB N#CCCN(C(=O)c1cnc2c(cnn2Cc2ccccc2)c1)C1CC1 84544534 NGNLVHDHAPXUCU-UHFFFAOYSA-N 345.406 2.998 30 40 EFEB COc1cc(C(=O)N(C)Cc2ccc(C#N)cc2)cc2c1OCCO2 32616338 GTTKHUJUJCXCPL-UHFFFAOYSA-N 338.363 2.610 30 40 EFEB CC1=CC[C@@H](/C(C)=C/CC[C@](C)(O)/C=C2/C(=O)C(C)=C[C@H]2O)OC1=O 77257639 WALMEPYKXGNNSY-BVGDWSPPSA-N 346.423 2.542 30 40 EFEB biogenic,in-vitro COc1cc(/C=N/NC(=S)Nc2ccccc2)ccc1OCC#N 45921136 PLMNIWVNRRTULY-XDHOZWIPSA-N 340.408 2.918 30 40 EFEB CCCC/C(CC)=N\NS(=O)(=O)c1ccc(NC(C)=O)cc1 17148084 PRNMXEYCFGDZQY-LGMDPLHJSA-N 325.434 2.880 30 40 EFEB C=CCn1c(N)c(C(=O)NCc2ccccc2OC)sc1=S 12416099 VWOBMLMOEBKOFO-UHFFFAOYSA-N 335.454 2.986 30 40 EFEB Cn1cc(N2CC[C@H](Nc3ccc(C(F)(F)F)c(C#N)c3)C2=O)cn1 97379242 SVTMWPJVUPTBOU-AWEZNQCLSA-N 349.316 2.528 30 40 EFEB Cc1ccc(S(=O)(=O)N(C)C)cc1NCc1ccccc1C#N 11549750 MELAAZBJVIMZQB-UHFFFAOYSA-N 329.425 2.729 30 40 EFEB C=CCSc1nc(O)c2c(n1)NC(=O)C[C@@H]2c1ccc(O)cc1 4944440 TWLVGQIUUSCGOB-LLVKDONJSA-N 329.381 2.640 30 40 EFEB NC(=O)[C@@H]1C2=C(CCCC2)S[C@H]1/N=C\c1ccc(O)c([N+](=O)[O-])c1 100277612 KOVLWMKSLDDAAI-QZLPCGMESA-N 347.396 2.722 30 40 EFEB C#C[C@H]1CN2CC[C@H]1C[C@@H]2CNC(=S)Nc1ccc(Cl)cc1 8300640 JRGJMGWUSDRKAY-HEHGZKQESA-N 333.888 2.970 30 40 EFEB biogenic,in-vitro N#Cc1nc(-c2ccco2)oc1N1CCN(CCc2ccccn2)CC1 46512037 ZOTXJLCKURNCMZ-UHFFFAOYSA-N 349.394 2.566 30 40 EFEB Cn1cc(/C(N)=N/OCc2cccc(C(=O)Nc3ccccc3)c2)cn1 54273357 JAEIDBFTOOXXMI-UHFFFAOYSA-N 349.394 2.510 30 40 EFEB N#Cc1ccc(N2CCC(C(=O)N3CCc4ccccc43)CC2)nc1 23994595 OAZBGYFKLJTBOT-UHFFFAOYSA-N 332.407 2.759 30 40 EFEB C=CCNC(=O)c1ccc(CN2CCN(c3ccccc3)CC2)cc1 20241721 VWBXACCLCACUFB-UHFFFAOYSA-N 335.451 2.925 30 40 EFEB C#Cc1cccc(N[C@H](C)C(=O)N2CCN(Cc3ccccc3)CC2)c1 57849622 ZEYUXVYFTCFZKG-GOSISDBHSA-N 347.462 2.813 30 40 EFEB S=C(NC[C@@H]1CCCO1)N/N=C/c1ccc(N2CCCCC2)cc1 3578671 QCGBHPWRDRDYAG-NNIWKIFQSA-N 346.500 2.654 30 40 EFEB COc1ccc(/C=N\N2CCN(c3ccccc3)CC2)cc1OC 28350281 DKDWGNLSJSKKHH-HKWRFOASSA-N 325.412 2.860 30 40 EFEB C[C@](C#N)(NC(=O)COC(=O)/C=C/c1cccc2cccnc12)C1CC1 14812071 NUSGMZXWXJPORT-JRMCHAMMSA-N 349.390 2.600 30 40 EFEB C/C(=C\C(=O)c1ccc(Cl)cc1)NCCCc1n[nH]c(N)c1C#N 6904172 OCPKDBKBLAOGHV-PKNBQFBNSA-N 343.818 2.826 30 40 EFEB Cc1nnc(C)n1/N=C/c1ccc(OC(F)F)cc1OC(F)F 7779802 LWGXJYBXJFJIBJ-NGYBGAFCSA-N 332.257 2.980 30 40 EFEB Cc1ccccc1[C@@H](C#N)NC(=O)CCc1nc(-c2ccoc2)no1 96417028 HXSDLZSMCVVMMC-OAHLLOKOSA-N 336.351 2.952 30 40 EFEB Cc1nc(C(=O)N[C@H](CC(=O)O)c2ccccc2Cl)ccc1C#N 75572371 DZVPNWDFWUJIGI-OAHLLOKOSA-N 343.770 2.861 30 40 EFEB Cc1nscc1/C(O)=N/S(=O)(=O)c1cn(C)c2ccccc12 97138856 PAVWJSQPVAZIAD-UHFFFAOYSA-N 335.410 2.637 30 40 EFEB Cc1ccn(C[C@H]2CCCN(C(=O)OC(C)(C)C)C2)c(=O)c1C#N 195565882 OGHSILSJXHECBD-CQSZACIVSA-N 331.416 2.676 30 40 EFEB CN(C(=O)CCc1nc(C2CC2)no1)c1cc(C#N)c2ccccc2n1 80930631 KIRRLSBXOGXMJK-UHFFFAOYSA-N 347.378 2.962 30 40 EFEB Cc1c(N[C@H](C(N)=O)c2ccc(C#N)cc2)cnn1-c1ccccc1F 97102922 SSYVXYDDIQWHCX-SFHVURJKSA-N 349.369 2.830 30 40 EFEB C[C@@H](CCNC(=O)NCc1cc(C#N)ccc1F)N1CCCCC1 97372866 REQTWHWDLFQCJX-AWEZNQCLSA-N 332.423 2.761 30 40 EFEB C=CCOC[C@@H]1CC[C@@H]2[C@@H]1OCCN2C(=O)c1ccc(N(C)C)cc1 107803860 FYAASBBEWCZAIR-QXAKKESOSA-N 344.455 2.575 30 40 EFEB CCOc1cc([C@@H]2[C@H](C#N)C(=O)Nc3nc4ccccc4n32)ccc1O 20637939 PGKZUWPVVJZJDR-YVEFUNNKSA-N 348.362 2.822 30 40 EFEB CC(=O)N[C@@H]1[C@H](O)C[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C 118913912 FOJQXPABGWZAGJ-OUZKAEIWSA-N 345.483 2.994 30 40 EFEB biogenic,in-vitro CSc1nc(N[C@@H](C)C(=O)O)c(C#N)c(-c2ccc(C)cc2)n1 57750347 ZRWVFTVYDCLQDG-JTQLQIEISA-N 328.397 2.931 30 40 EFEB CCCCCCCCn1c(N(CC)CC)nc2c1c(=O)[nH]c(=O)n2C 2273620 IUNYODJOLMTCOQ-UHFFFAOYSA-N 349.479 2.630 30 40 EFEB Cc1c(C#N)c(NC(=O)CNC(C)(C)C)n(Cc2ccco2)c1C 12745695 TYPNBFNFKBPIDZ-UHFFFAOYSA-N 328.416 2.945 30 40 EFEB CN(C)c1nc(NCc2ccccc2)nc(N/N=C/c2ccco2)n1 4351014 MGDAWNVHGDTXRL-XDHOZWIPSA-N 337.387 2.589 30 40 EFEB Cn1ncc(/N=C/c2ccc(OCc3ccccc3)cc2)c1C(N)=O 13961029 KUXVGJVXNGCRDZ-SRZZPIQSSA-N 334.379 2.849 30 40 EFEB N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)/C=C/c2ccco2)CC1 14158398 SGUCOFCZEOIQCR-DVBCCOPCSA-N 339.370 2.841 30 40 EFEB CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)OC(=O)c1ccc2ccccc2n1 5848301 PZLAGFUPGRDBPE-ORAYPTAESA-N 339.395 2.835 30 40 EFEB N#Cc1cccc(OCc2cccc(C(=O)N3CCC[C@@H](O)C3)c2)c1 72285743 XUQRPUMAWPSPGY-GOSISDBHSA-N 336.391 2.734 30 40 EFEB N#Cc1ccc(OCCNC(=O)N2CCCC[C@H]2c2ncc[nH]2)cc1 84384021 JYQOWHANJSWTSM-INIZCTEOSA-N 339.399 2.597 30 40 EFEB C[C@H](C[C@@H](O)c1ccco1)NC(=O)NCc1cc(C#N)ccc1F 95413559 VLVSEIFBYIINOY-IAQYHMDHSA-N 331.347 2.602 30 40 EFEB C=CCOc1ccccc1/C=C1\C(=O)NC(=O)N(c2ccccc2)C1=O 408806226 BGTNDYCEZHEJST-DTQAZKPQSA-N 348.358 2.918 30 40 EFEB C=CCOc1cccc(/C=N/N2C(=O)[C@@H]3[C@H]4C=C[C@@H]([C@@H]5C[C@H]45)[C@H]3C2=O)c1 408592122 XRMLVSOWGAXNIJ-VRIUOOHGSA-N 348.402 2.638 30 40 EFEB COc1cc(CCNc2ncccc2C#N)c([N+](=O)[O-])cc1OC 32808453 OJINHFSDHZGRQP-UHFFFAOYSA-N 328.328 2.533 30 40 EFEB C=C(C)CN(CC)C(=O)NC[C@@H]1CC(=O)N(C)[C@@H]1c1ccccc1 96500365 XIGMZBYINMLFOY-FUHWJXTLSA-N 329.444 2.814 30 40 EFEB Cn1c(Oc2ccccc2/N=C\c2ccccc2)cc(=O)n(C)c1=O 17299611 GWXJMCSDHOIOOL-MOSHPQCFSA-N 335.363 2.627 30 40 EFEB COc1ccc([C@H]2CCCC[C@H]2OS(C)(=O)=O)c(OC)c1OC 1592170 MVTSVCQPUDYUPN-DGCLKSJQSA-N 344.429 2.715 30 40 EFEB CN(Cc1cccc(C#N)c1)C(=O)[C@H]1CC(c2cccc(F)c2)=NO1 41814165 HRBZFNPMBBLAPI-GOSISDBHSA-N 337.354 2.849 30 40 EFEB N#Cc1oc2ccccc2c1NS(=O)(=O)c1cccc(C(=O)O)c1 28249219 FVBKHWKSCPZIAH-UHFFFAOYSA-N 342.332 2.803 30 40 EFEB Cc1cccc(/C(O)=N/S(=O)(=O)c2ccc3c(c2)OCCO3)c1C 48461548 OTTOGNQECWINAX-UHFFFAOYSA-N 347.392 2.768 30 40 EFEB COC(=O)COc1cccc(/C=N/NC(=S)Nc2ccccc2)c1 408862254 DUPBDVQNSOEFQY-WOJGMQOQSA-N 343.408 2.559 30 40 EFEB Cc1cc([C@@H]2CCCN(C(=O)COc3ccc(CC#N)cc3)C2)n[nH]1 76059888 YOVFCFPHXXDOMO-MRXNPFEDSA-N 338.411 2.569 30 40 EFEB N#Cc1ccc(N2CCN(C(=O)C3CC(c4ccccc4)C3)CC2)nc1 71832995 UQUWOAVEDOLFSJ-UHFFFAOYSA-N 346.434 2.796 30 40 EFEB COc1ccc(N/C(N)=N/Cc2c(C)cc(C)nc2OC)cc1F 71847269 STLYCEXYNXZIPS-UHFFFAOYSA-N 332.379 2.782 30 40 EFEB N#Cc1ccc(COc2ccccc2CC(N)=O)c(Br)c1 97046862 YDIZKHSNGNEENR-UHFFFAOYSA-N 345.196 2.928 30 40 EFEB N/C(=N/Cc1cccc(O)c1)N1CCN(c2ccc(Cl)cc2)CC1 97001254 MKCRMSBQTUELET-UHFFFAOYSA-N 344.846 2.683 30 40 EFEB N#Cc1cc(N[C@H]2CCN(c3ncccc3F)C2)ccc1[N+](=O)[O-] 97145078 IHWWRYAAUOREBK-ZDUSSCGKSA-N 327.319 2.691 30 40 EFEB CCCNc1ccc(C#N)cc1NC(=O)[C@H](C)NC(=O)c1ccoc1 78878850 ILGNQBZNWBCDCI-LBPRGKRZSA-N 340.383 2.730 30 40 EFEB CC(C)CN(C[C@H](O)c1ccc(F)cc1)C(=O)c1cc(C#N)cn1C 95414985 SYYQCLXIBXCFBQ-SFHVURJKSA-N 343.402 2.868 30 40 EFEB CCCCCCCCNC(=O)c1c(O)n2cc(C)ccc2nc1=O 226821606 YVPVBIOLQQPVIB-UHFFFAOYSA-N 331.416 2.799 30 40 EFEB CS(=O)(=O)c1ccccc1-n1cc(N[C@@H]2CCC[C@@H](C#N)C2)cn1 613255728 FQMQEANKHZUSPE-ZIAGYGMSSA-N 344.440 2.770 30 40 EFEB CSCCC/N=C(/S)Nc1ccc(N2CCOCC2)cc1 13660970 KMOFYYZDUHATET-UHFFFAOYSA-N 325.503 2.974 30 40 EFEB C/C(=N/N1CCN(c2ccccn2)CC1)c1cccc([N+](=O)[O-])c1 4891465 BOVGZURAPAKBLH-RGEXLXHISA-N 325.372 2.536 30 40 EFEB C=CCn1nnnc1NCc1cc(Cl)c(OCC)c(OCC)c1 7601929 KHWWHYQKJVDIQC-UHFFFAOYSA-N 337.811 2.922 30 40 EFEB COc1ccc(C(=O)/C=C2\Nc3ccc([N+](=O)[O-])cc3NC2=O)cc1 104237987 FNKWCLHFEALBOG-DHDCSXOGSA-N 339.307 2.734 30 40 EFEB N#Cc1cccc(NC(=O)N2CCNC(=O)C[C@H]2c2ccccc2)c1 53732984 QSXVGDDXXYPMOG-KRWDZBQOSA-N 334.379 2.653 30 40 EFEB C#C[C@@]1(O)C[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@]2(C)C1 118926311 DUULPJDVZRLYIC-HFYYJUFZSA-N 328.452 2.853 30 40 EFEB CC(C)[C@H]1OCCC[C@H]1CNC(=O)[C@H](C)Oc1ccc(C#N)cc1 107070905 FAMYNOXEJURBLX-QILLFSRXSA-N 330.428 2.893 30 40 EFEB N/C(COc1ccccc1)=N\OCc1cc(Cl)c2c(c1)OCO2 57943877 KGJKMSGTLITZHN-UHFFFAOYSA-N 334.759 2.937 30 40 EFEB C=CCN(Cc1ccccc1F)C(=O)c1cnc2ccccn2c1=O 58182764 AXQKSLYGVJFVSR-UHFFFAOYSA-N 337.354 2.662 30 40 EFEB C[C@@H]1CN(C(=O)CNc2ccc(C#N)cc2)C[C@H](c2ccccc2)O1 58406471 UIZGDZAKAVBRHD-DNVCBOLYSA-N 335.407 2.959 30 40 EFEB N#Cc1cccnc1NC[C@@H](c1ccc(F)cc1)N1CCOCC1 48308889 SXJWUIFGUHLGQZ-KRWDZBQOSA-N 326.375 2.578 30 40 EFEB COc1ccc(OC)c(CC/C(O)=N/S(=O)(=O)c2ccccc2)c1 48405979 JWRPHUJVIGMBBK-UHFFFAOYSA-N 349.408 2.982 30 40 EFEB CC[C@H](O/N=C/c1cccc([N+](=O)[O-])c1)C(=O)Nc1cc(C)on1 13016772 QZVSPAPKBYTEMU-WFSQQTBHSA-N 332.316 2.659 30 40 EFEB Cc1cc(CN/C(=N/[C@H](C)[C@@H]2CCCO2)NCc2cccs2)on1 75611970 KDMUMHWGNXIWQZ-CJNGLKHVSA-N 348.472 2.847 30 40 EFEB C=CCNC(=O)[C@H](C)N1CCC[C@H](c2nc(-c3ccccc3)c[nH]2)C1 75612304 HHPRLMZFYGWVFF-RDJZCZTQSA-N 338.455 2.947 30 40 EFEB Cn1cc([C@H]2C[C@H]2/C(O)=N/S(=O)(=O)c2cccc(Cl)c2)cn1 78556452 ZKNFSSJDYCGUGZ-CHWSQXEVSA-N 339.804 2.522 30 40 EFEB O=C1[C@H]2[C@@H]3C=C[C@@H]([C@H]2C(=O)N1/N=C/c1ccccc1Cl)C31CC1 100058629 RWKOTIBHCJTIHZ-SUSDQBMTSA-N 326.783 2.871 30 40 EFEB CN(C)CCC(=O)C(=Cc1ccccc1Cl)C(=O)CCN(C)C 1589110 PCYUAYXLLBERJA-UHFFFAOYSA-N 336.863 2.765 30 40 EFEB C=CCNC(=O)c1cccc(S(=O)(=O)Nc2ccccc2F)c1 6430554 JIXHXXSZJCUFPP-UHFFFAOYSA-N 334.372 2.542 30 40 EFEB COC1(OC)[C@H](/C=C/c2ccc(C)cc2)C(C#N)(C#N)C1(OC)OC 340834 GYTCFYIQKPCWCT-SIFUEBAJSA-N 342.395 2.650 30 40 EFEB COc1ccc([C@H]2c3sc(=O)[nH]c3SC[C@H]2C#N)cc1OC 548567 VSOKLTZCAFJGTR-BXKDBHETSA-N 334.422 2.831 30 40 EFEB C#CCN1CCC(C(=O)N[C@@H](C)c2cc(OC)c(OC)cc2C)CC1 58158222 OWRKLMQGZRYTEY-HNNXBMFYSA-N 344.455 2.535 30 40 EFEB CC(C)(C)[C@@H]1CCCC[C@H]1NC(=O)NCCCc1n[nH]c(N)c1C#N 48279052 IJWGGOLYIVZYPS-UKRRQHHQSA-N 346.479 2.700 30 40 EFEB C=C[C@@H](c1ccccc1)c1c(C(=O)OC)c2n(c(=O)c1O)CCC2 26897281 FBLXPDAERHDJJW-ZDUSSCGKSA-N 325.364 2.605 30 40 EFEB Cc1ccc(N2C(=O)NC(=O)[C@@H](C=Nc3ccccc3C)C2=O)cc1 408528690 VZDYSYALJKFWRX-OAHLLOKOSA-N 335.363 2.905 30 40 EFEB C#CCOc1ccc(NC(=O)N[C@H](C)Cc2c(C)nn(C)c2C)cc1 96434742 LYUHXQSBMGYZAV-CYBMUJFWSA-N 340.427 2.802 30 40 EFEB CC[C@@H]1CN(C(=O)C(C)C)CC[C@@H]1NCc1ccc(OC)c(C#N)c1 84736296 KGUXUSYLTOJUGY-AEFFLSMTSA-N 343.471 2.940 30 40 EFEB Cn1cccc1C(=O)NC1CCN(c2c(Cl)cccc2C#N)CC1 95403154 OSKPVDRFTSXEFA-UHFFFAOYSA-N 342.830 2.949 30 40 EFEB N#C[C@]1(C=O)[C@H](c2ccccc2)[C@H]1S(=O)(=O)c1ccc(Cl)cc1 218054771 LAOQKYXEDYTYNM-ZACQAIPSSA-N 345.807 2.989 30 40 EFEB N#CCc1ccc(NS(=O)(=O)Cc2cccc([N+](=O)[O-])c2)cc1 44903258 DRYHLJSMLVKRMX-UHFFFAOYSA-N 331.353 2.603 30 40 EFEB COc1cc(/C=C2/N=C(c3ccccc3)OC2=O)ccc1OCC#N 6441220 AXXPWDVGZSEVOF-RVDMUPIBSA-N 334.331 2.942 30 40 EFEB Cc1nc(N2CCN(C(=O)c3ccco3)CC2)c(C#N)c(C)c1Cl 1888899343 YEHYXTGHJMZJLT-UHFFFAOYSA-N 344.802 2.779 30 40 EFEB CC(=O)c1ccc(NC(=O)COC(=O)c2ccc(C#N)cc2F)cc1 6296620 IKLCVUNAZBZSME-UHFFFAOYSA-N 340.310 2.695 30 40 EFEB C#CCN1CCCC[C@H]1C(=O)N1CC=C(c2c[nH]c3ncccc23)CC1 56336226 GPQSQXJYDFWOKV-IBGZPJMESA-N 348.450 2.666 30 40 EFEB CCCn1c(=O)c2ccccc2n2c(SC[C@@H](C)C#N)nnc12 12554093 YBHVRFAIBOBQOE-NSHDSACASA-N 327.413 2.706 30 40 EFEB CC(C)CC(=O)N1CCC(NC(=O)/C=C/c2ccc(C#N)cc2)CC1 58282837 OKTHMESVMJZGBM-BQYQJAHWSA-N 339.439 2.725 30 40 EFEB Cc1cnc(C(=O)N(Cc2ccc(C#N)cc2)CC(F)(F)F)cn1 36396755 BRUQBSVLXYPYSC-UHFFFAOYSA-N 334.301 2.861 30 40 EFEB COCCN(CC(=O)Nc1ccc(CC#N)cc1)C(=O)OC(C)(C)C 70011980 ULLOEITTWLUVOJ-UHFFFAOYSA-N 347.415 2.575 30 40 EFEB C=CCN1c2ccccc2N(C(C)=O)[C@@H]2C(C(=O)OCC)=C(C)O[C@H]21 4624350 NHLLPDYCNTXYSA-QZTJIDSGSA-N 342.395 2.608 30 40 EFEB CC(C)(C)[C@@H](C#N)NC(=O)[C@H]1COc2ccc(Br)cc21 95443249 DGVGHMBNNQZJQW-WCQYABFASA-N 337.217 2.980 30 40 EFEB N#Cc1ccccc1CN1CCN(c2oc(C3CC3)nc2C#N)CC1 32827787 QFDADUZSWWANGT-UHFFFAOYSA-N 333.395 2.618 30 40 EFEB N#Cc1nc(-c2ccco2)oc1N1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O 32123797 JAEXOEJRQTUJIF-OLZOCXBDSA-N 348.362 2.592 30 40 EFEB biogenic Cc1nn(C)c(C)c1C[C@H](C)/C(O)=N/S(=O)(=O)c1cccs1 76756592 XGTALMMATFCQGV-VIFPVBQESA-N 341.458 2.622 30 40 EFEB C[C@@H](NC(=O)NCC#Cc1ccccc1)c1ccc(-n2ccnn2)cc1 96484942 ULMXILSBWNXMBR-MRXNPFEDSA-N 345.406 2.679 30 40 EFEB Cc1ccc(S(=O)(=O)[C@@H]2[C@@H](c3ccc(Cl)cc3)[C@]2(N)C#N)cc1 242649109 RURPZEFAAXJVBA-BRWVUGGUSA-N 346.839 2.809 30 40 EFEB Cc1ccc(C(=O)N2C[C@@H]3CN(c4ccc(C#N)cn4)C[C@H]3C2)s1 1888857080 HQDHOFCPXMUVFG-GJZGRUSLSA-N 338.436 2.532 30 40 EFEB N#Cc1ccc(C(=O)N2C[C@@H](c3ccccc3)[C@@H](c3ncon3)C2)cc1 238878129 OOOSDJRRWPWVMN-ROUUACIJSA-N 344.374 2.965 30 40 EFEB CCOC(=O)c1cc(C#N)c(N2CCOCC2)nc1-c1ccccc1 20365505 QAZAUHUQNOQNDX-UHFFFAOYSA-N 337.379 2.634 30 40 EFEB N#Cc1ccccc1/C=C\C(=O)N1CCC[C@H]1c1nnc2ccccn12 103344885 KAJNPHNMSYTUBF-MQNTZWLQSA-N 343.390 2.978 30 40 EFEB Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)/N=C(\O)CC[C@H]1CCCO1 54489740 LCQMQVPGPJDBMD-GFCCVEGCSA-N 342.373 2.508 30 40 EFEB C[C@H](C1CC1)N(CC(=O)Nc1c(C#N)cnn1-c1ccccc1)C1CC1 58226492 OBIFKEAKDHRZAH-CQSZACIVSA-N 349.438 2.945 30 40 EFEB CS(=O)(=O)Nc1ccc(C(=O)/C=C/c2ccc(C(=O)O)cc2)cc1 58405029 JXTYXVFGADXEPM-NYYWCZLTSA-N 345.376 2.652 30 40 EFEB CCn1c([C@@H]2CCCN(C(=O)c3ccc(C#N)cc3)C2)n[nH]c1=S 65587698 UUNPRLIBAXATOP-CQSZACIVSA-N 341.440 2.852 30 40 EFEB O=C(NCC#Cc1ccccc1)N1CCO[C@H](c2ccsc2)C1 89821654 OIXWTXKLKZTIPZ-KRWDZBQOSA-N 326.421 2.883 30 40 EFEB C=CCN(Cc1cccs1)C(=O)CN1CCC(c2cn[nH]c2)CC1 97202753 TWOQPHSFNMTHHM-UHFFFAOYSA-N 344.484 2.865 30 40 EFEB Cc1ccc(N2CCC[C@@H](NCc3cc(C#N)ccc3F)C2)nn1 95351556 VGPNJOLQOIHTGB-MRXNPFEDSA-N 325.391 2.554 30 40 EFEB CN(C)CCCOC1CCN(C(=O)Nc2cccc(C#N)c2)CC1 75093941 WRNMNULVAHGVSR-UHFFFAOYSA-N 330.432 2.523 30 40 EFEB COc1ccccc1COc1nn(Cc2ccccc2)c(N)c1C#N 225839046 DSSKURMFSGLXIK-UHFFFAOYSA-N 334.379 2.973 30 40 EFEB N#Cc1cccc(CN2CCn3cc(CN4CCCCC4)nc3C2)c1 96197258 KQEXSHHZPSRWFZ-UHFFFAOYSA-N 335.455 2.756 30 40 EFEB COc1ccc(O[C@H](C)/C(O)=N/S(=O)(=O)c2cccs2)cc1 48448273 SSHQMVDYLLLWOP-SNVBAGLBSA-N 341.410 2.869 30 40 EFEB C=CCCC[C@H]1NC(=O)[C@H](c2ccc(C(F)(F)F)cc2)NC1=O 1614626285 ZAKCYYZJBNVKBI-OLZOCXBDSA-N 326.318 2.717 30 40 EFEB CC(C)[C@@H](NC(=O)NCc1ccccc1)C(=O)O[C@@H](CC#N)C1CC1 1646916336 ZTQINTCCGHCJLI-DLBZAZTESA-N 343.427 2.746 30 40 EFEB N#Cc1ccc(-c2ccccc2)nc1S[C@@H]1CCS(=O)(=O)C1 5395162 QKJORZNAXBRJER-CQSZACIVSA-N 330.434 2.899 30 40 EFEB CCNC(=S)N/N=C/c1cc(Cl)c(OCC)c(OCC)c1 169884931 JTPOKAMRSNONNG-RQZCQDPDSA-N 329.853 2.955 30 40 EFEB N#Cc1cccc2c1CCN2C(=O)[C@@H]1[C@H](C(F)(F)F)[C@H]2CC[C@H]1O2 591521742 UOBNQBGCWZWUNE-APIJFGDWSA-N 336.313 2.803 30 40 EFEB O=C(O)C[C@H]1S/C(=N/N=C/c2ccco2)N(c2ccccc2)C1=O 83328072 IYIYQTSVISWHQU-YLEYWWNFSA-N 343.364 2.593 30 40 EFEB CCOCCCN(CCC#N)C(=S)Nc1ccc(C(=O)OC)cc1 4217846 PEWSQEZPBFOQBP-UHFFFAOYSA-N 349.456 2.812 30 40 EFEB COc1ccc(/C(O)=C2\C(=O)C(=O)N(C)[C@H]2c2ccc(F)cc2)cc1 102616083 QGAZTSIHQZIDBT-UYTDBDHRSA-N 341.338 2.886 30 40 EFEB CN1CCN(/C=N/C2=NN(c3cccc(C(F)(F)F)c3)CC2)CC1 3218859 GQTFFEULGUPLRB-UDWIEESQSA-N 339.365 2.505 30 40 EFEB CC[C@@H](O)CN(CC(=O)NC1(C#N)CCCCC1)c1ccccc1 58357165 REVVANJYRCYWFA-QGZVFWFLSA-N 329.444 2.607 30 40 EFEB C[C@@H]1CN(C(=O)c2occc2COc2cccc(C#N)c2)C[C@@H](C)O1 69371770 JHDVPUZOLVCDMD-ZIAGYGMSSA-N 340.379 2.980 30 40 EFEB Cc1occc1C(=O)[C@H](C#N)c1nc(N)nc(Nc2ccccc2)n1 49393273 XSPIBKRJEQQGQX-ZDUSSCGKSA-N 334.339 2.589 30 40 EFEB COc1ccc(/C=N/Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1OC 4154640 NFZGKDZLCRVNPW-CXUHLZMHSA-N 346.299 2.966 30 40 EFEB Cc1nnc(SCC(=O)c2cn(CCC#N)c3ccccc23)n1C 6129644 ZFPPWBZGRYSGMW-UHFFFAOYSA-N 339.424 2.967 30 40 EFEB Cc1sc(NC(=O)c2cccc(S(C)(=O)=O)c2)c(C#N)c1C 14239761 VUSGWDKCETWCSW-UHFFFAOYSA-N 334.422 2.892 30 40 EFEB Cc1cc(N)nc(S[C@@H](C)C(=O)N(C)C2(C#N)CCCCC2)n1 8753156 KPVNYUAOXVYIMR-LBPRGKRZSA-N 333.461 2.533 30 40 EFEB CCOc1cccc(/C(O)=N/S(=O)(=O)c2sc(C)nc2C)c1 83150686 NHWFEQCYUYTSMZ-UHFFFAOYSA-N 340.426 2.852 30 40 EFEB CN(C)[C@@H](CNc1ccc(Br)cc1C#N)c1cnn(C)c1 96008470 XGZMHRRSEQXNTI-HNNXBMFYSA-N 348.248 2.769 30 40 EFEB CN1C(=O)C[C@@H](C(=O)Nc2cccc(C#N)c2)[C@@H]1c1ccc(F)cc1 72242292 AZMRXVGVAXJSGI-AEFFLSMTSA-N 337.354 2.855 30 40 EFEB N#Cc1cc(C(=O)Nc2ccc(CN3CCOCC3)c(Cl)c2)c[nH]1 97107887 DFCRKGSUPGPWAR-UHFFFAOYSA-N 344.802 2.624 30 40 EFEB COc1ccccc1[C@H](C#N)NC(=O)c1cccc(OC)c1OC 78727173 KYORKPZTFAXDDD-AWEZNQCLSA-N 326.352 2.707 30 40 EFEB Cc1csc(NC(=O)N(CCN(C)C)Cc2cccc(C#N)c2)n1 78714356 HVVYGPKCKJDCFF-UHFFFAOYSA-N 343.456 2.919 30 40 EFEB CCc1nn(C)c(CC)c1CNC(=O)N[C@@H](C)c1ccc(C#N)cc1 95437519 ORMBIRGJFAGAIY-ZDUSSCGKSA-N 339.443 2.977 30 40 EFEB C[C@@H](CCc1ccc(F)c(F)c1)NS(=O)(=O)CC1(C#N)CC1 95944266 JYRARKGRAFASHF-NSHDSACASA-N 328.384 2.509 30 40 EFEB O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)[C@H]1C=Nc1ccccc1 408528705 WDBSFTKPEWXPET-AWEZNQCLSA-N 341.754 2.942 30 40 EFEB Cc1ccccc1N=C[C@@H]1C(=O)NC(=O)N([C@@H]2C[C@H]3CC[C@H]2C3)C1=O 408527598 OZMKJCUAAJCTGL-TTZDDIAXSA-N 339.395 2.581 30 40 EFEB N#Cc1ncn(CCc2cc(Cl)c3c(c2)OCCCO3)c1C#N 126385594 LKMALZUFPPDGPU-UHFFFAOYSA-N 328.759 2.684 30 40 EFEB C#CCOC(=O)c1cc(NC(=O)C(F)(F)F)ccc1N1CCCC1 226278459 UEDOPSIQGJCBMQ-UHFFFAOYSA-N 340.301 2.578 30 40 EFEB Cc1c(NCc2cccc(C#N)c2)cccc1S(=O)(=O)NC1CC1 96453633 AXHDPKZLEDFRHF-UHFFFAOYSA-N 341.436 2.920 30 40 EFEB N#Cc1cc(C(F)(F)F)ccc1N1CCC[C@@H]1[C@H]1COCC[C@@H]1O 583622900 CVKTUHYCFHTBFK-BMFZPTHFSA-N 340.345 2.943 30 40 EFEB CN(Cc1ccc([S@](C)=O)cc1)C(=O)Nc1cccc(C#N)c1 96454108 BQDGCZYXVPGLRT-HSZRJFAPSA-N 327.409 2.960 30 40 EFEB N#Cc1ccc(CNC(=O)NC[C@@H]2Cc3ccccc3CO2)cc1F 599070919 MNGLHOSBDVCWRW-KRWDZBQOSA-N 339.370 2.638 30 40 EFEB Cc1ccc(S(=O)(=O)/N=C(\O)Nc2ccc(N(C)C)cc2)cc1 158170 GRIAZRCYPXFJJF-UHFFFAOYSA-N 333.413 2.776 30 40 EFEB in-vivo N#Cc1c(N)[nH]c(=S)c(C(N)=O)c1-c1cccc(Br)c1 120873 ALGJOYPHZBLWLN-UHFFFAOYSA-N 349.213 2.726 30 40 EFEB C#CCNC(=O)CNC(=O)Nc1ccc(SC2CCCC2)cc1 51613082 QYAJOSNRFBQXKU-UHFFFAOYSA-N 331.441 2.592 30 40 EFEB Cc1oc(NC(=O)COC(=O)c2ccc(F)c(F)c2)c(C#N)c1C 11193766 ABVBCFMNBUSEBK-UHFFFAOYSA-N 334.278 2.842 30 40 EFEB CCOC(=O)c1c(C)[nH]c(C(=O)COc2ccccc2C#N)c1C 3360120 XSDPMTIPUPHBFS-UHFFFAOYSA-N 326.352 2.942 30 40 EFEB N#Cc1ccc(N2CCC(C(=O)c3ccc4c(c3)OCCO4)CC2)nc1 13001758 ZKWDXIPEQSIIEJ-UHFFFAOYSA-N 349.390 2.824 30 40 EFEB O=C1CC(c2ccccc2Cl)CC(=O)C1=CNCCc1c[nH]cn1 3766897 PYHSUWJSGQIRAE-UHFFFAOYSA-N 343.814 2.795 30 40 EFEB C[C@](C#N)(NC(=O)CSc1nc(-c2ccccc2F)n[nH]1)C1CC1 4879244 VIBTWVINLXPIFF-MRXNPFEDSA-N 345.403 2.511 30 40 EFEB N#CCC(=O)N1CCC[C@@H]1C(=O)Nc1cc(Cl)cc(Cl)c1 97097077 OAVPBLFLKBTNQZ-GFCCVEGCSA-N 326.183 2.837 30 40 EFEB CCOC(=O)c1sc(NC(=S)NC(=O)C(C)C)c(C#N)c1C 21596331 DFQLKCJHOOWGHO-UHFFFAOYSA-N 339.442 2.574 30 40 EFEB CNS(=O)(=O)c1ccccc1CNc1cc(Cl)ccc1C#N 89395940 SVISKKLKJBKRAH-UHFFFAOYSA-N 335.816 2.732 30 40 EFEB C=CCNC(=S)Nc1nc(Cl)cc(N2CCC(C)CC2)n1 225926342 IANCETZEVBQSIQ-UHFFFAOYSA-N 325.869 2.839 30 40 EFEB C#CCCN(CC(F)(F)F)C(=O)Nc1cnc2c(c1)c(C)nn2C 1615572490 UXEYSPUUOHTRRJ-UHFFFAOYSA-N 339.321 2.696 30 40 EFEB Cc1ccc([C@H](CNCc2ccc(C#N)cc2)N2CCOCC2)o1 53814355 GRZBFYGHRMQHRN-SFHVURJKSA-N 325.412 2.623 30 40 EFEB C=CCc1cc(CNC(=O)[C@@H](C)OCC2CC2)cc(OC)c1OC 50525072 CBMCVWGKDQNVKO-CYBMUJFWSA-N 333.428 2.864 30 40 EFEB CC(=O)N1CCN(c2nc(CC(C)C)c3c(c2C#N)CCCC3)CC1 20572836 YXHMQMNWNQFMRQ-UHFFFAOYSA-N 340.471 2.699 30 40 EFEB C=CCn1c(C)cc(C(=O)CSc2nc(=O)[nH]c(C)c2C#N)c1C 32776383 DRBGNEWRJAGOLN-UHFFFAOYSA-N 342.424 2.529 30 40 EFEB CC[C@H](C)/N=C(/N)NC[C@@H](c1ccc(OC)cc1)N1CCCCC1 58171452 MENIUUDJORKZGL-YJBOKZPZSA-N 332.492 2.925 30 40 EFEB Cc1ccc(C)c(S(=O)(=O)/N=C(\O)[C@@H](C)OC[C@H]2CCCO2)c1 69282663 KKKNGEAYFAXKGE-ZIAGYGMSSA-N 341.429 2.533 30 40 EFEB C=CCN(CC=C)Cc1nnnn1-c1ccccc1Br 69443296 XYLGOBCUCUFEBP-UHFFFAOYSA-N 334.221 2.599 30 40 EFEB N#Cc1ccc(C(=O)NCC(=O)N2CCC[C@@H]2Cc2ccccc2)cc1 69537587 OYNZIZUTTBNFJX-LJQANCHMSA-N 347.418 2.522 30 40 EFEB Cc1nn(-c2ccc(F)cc2)c(Cl)c1/C=N/N1CCN(C)CC1 6673181 BUAHSOLRMSDZOP-YBFXNURJSA-N 335.814 2.555 30 40 EFEB O=C1C[C@@H](C(=O)Nc2ccccc2)S/C(=N/c2ccccc2)N1 18137241 FKYIBZSQDORCLZ-AWEZNQCLSA-N 325.393 2.935 30 40 EFEB C[C@H](OCC1CC1)/C(O)=N/S(=O)(=O)c1cccc2ncccc12 71803832 GTHWXHUXJQXLJR-NSHDSACASA-N 334.397 2.695 30 40 EFEB Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N1[C@H]2CCCC[C@H]2C[C@H]1C 78795618 BUBPEDKEAKFEKE-MRAWALMUSA-N 341.455 2.976 30 40 EFEB CC1(/N=C(/O)N=c2ccc(C(F)(F)F)n[nH]2)Cc2ccccc2C1 329910751 NLCLCSLUOVCWKQ-UHFFFAOYSA-N 336.317 2.801 30 40 EFEB COC(=O)c1cccc(CSc2nc(N)c(C#N)c(C3CC3)n2)c1 225894155 XEKWOTPSOZYCHS-UHFFFAOYSA-N 340.408 2.887 30 40 EFEB CC(C)(C)OC(=O)N1CCN(c2cccc([N+](=O)[O-])c2C#N)CC1 95096595 XKXYIEJKQOOKRM-UHFFFAOYSA-N 332.360 2.524 30 40 EFEB C=CCO[C@H]1CC[C@H]2[C@H]1OCCN2C(=O)CC1Cc2ccccc2C1 96042059 ZUEWRBKKLIXQCD-IRFCIJBXSA-N 341.451 2.753 30 40 EFEB N#Cc1nccnc1N1CCO[C@H](c2cccc(C(F)(F)F)c2)C1 96447488 LVHDSLLZOBYIFD-AWEZNQCLSA-N 334.301 2.945 30 40 EFEB CS(=O)(=O)C[C@H](NCc1ccc(F)c(C#N)c1)c1ccccc1 96492364 BJWBKYABMDIFPE-KRWDZBQOSA-N 332.400 2.573 30 40 EFEB CN(c1nn(-c2cccc([N+](=O)[O-])c2)nc1C#N)C1CCCCC1 256049022 XSAPYOYZZMFGTE-UHFFFAOYSA-N 326.360 2.816 30 40 EFEB N#Cc1sccc1N1CCN(c2nc(C(F)(F)F)ns2)CC1 596352569 ONKIWUBRHVLJFN-UHFFFAOYSA-N 345.375 2.817 30 40 EFEB C=CCNc1nnc(SCC(=O)c2ccc3c(c2)OCO3)s1 5783431 HFUYMVJXVTTYJL-UHFFFAOYSA-N 335.410 2.840 30 40 EFEB C[C@H](NC1=C(C(=O)/C=C/c2ccccc2)C(=O)CC(C)(C)C1)C(=O)O 33749 DYNXQISBAOMRCL-LXKVQUBZSA-N 341.407 2.975 30 40 EFEB CN(CC(=O)Nc1ccc(OCC#N)cc1)c1ccc(Cl)cn1 40554204 SQRDMYNSNHCQJI-UHFFFAOYSA-N 330.775 2.712 30 40 EFEB C/C(O)=C1\C(=O)[C@H]2[C@@H]3c4c[nH]c5cccc(c45)C[C@H]3C(C)(C)N2C1=O 100006438 CNZIQHGDUXRUJS-RMAWOLMDSA-N 336.391 2.828 30 40 EFEB in-vitro CCOc1ccc(C#N)cc1NC(=O)N[C@H](C)c1cn(C)nc1C 69656992 BLGOHNKBEMGSQM-LLVKDONJSA-N 327.388 2.882 30 40 EFEB C=CCNS(=O)(=O)c1ccc(NC(=O)c2ccc(C)cc2)cc1 8549991 CLFLPEGTLUVIAT-UHFFFAOYSA-N 330.409 2.712 30 40 EFEB C[C@H](Sc1nc(N)cc(N)c1C#N)C(=O)Nc1cc(F)ccc1F 9315111 DXOCPNGRUKYYOQ-ZETCQYMHSA-N 349.366 2.515 30 40 EFEB C#Cc1cccc(NC(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)C2)c1 72277984 WAEONPHMBSZGFS-OAHLLOKOSA-N 329.400 2.799 30 40 EFEB Cc1nc2cc(-c3ccc(Br)cc3)nn2c(N)c1C#N 408925752 SUDJIXDVVIVMFD-UHFFFAOYSA-N 328.173 2.921 30 40 EFEB CCCCC[C@H](O)CC(=O)O[C@H](C)C(=O)NC1(C#N)CCCCC1 72290042 KBBRPDYSMFZNKS-CABCVRRESA-N 338.448 2.592 30 40 EFEB C[C@@H](c1ccsc1)N1CCN(C(=O)c2ccc(C#N)cn2)CC1 97143198 MTDIVPGIBXTQMM-ZDUSSCGKSA-N 326.425 2.534 30 40 EFEB C[C@H](CC#N)N(C)S(=O)(=O)c1ccc(Br)cc1F 97163089 HMWWZZQCAKDWPE-MRVPVSSYSA-N 335.198 2.511 30 40 EFEB Cc1cccc(CNC(=O)Nc2ncccc2OCCCC#N)n1 97164554 REPVAPWKXFYPRM-UHFFFAOYSA-N 325.372 2.789 30 40 EFEB Cc1ccc(C#N)c(N2CCC[C@@H](C(=O)N(C)Cc3ccccn3)C2)n1 95405807 UPZTYGMMDYKBSI-QGZVFWFLSA-N 349.438 2.532 30 40 EFEB C=CCOc1cc(OC)ccc1C(=O)N1CCC[C@@H](N2CCCC2)C1 95944518 JMZQRYINSOBJEK-MRXNPFEDSA-N 344.455 2.960 30 40 EFEB COc1ccccc1-c1nc(C(=O)N[C@@]2(C#N)CCSC2)cs1 89483968 IWLKWMNFCHCFHK-MRXNPFEDSA-N 345.449 2.948 30 40 EFEB Cc1nc2ccc(Br)cc2c(=O)n1N=Cc1cccn1C 409308676 YHKSPOADZNXVOW-UHFFFAOYSA-N 345.200 2.688 30 40 EFEB Cc1ccc(S(=O)(=O)/N=C(\O)COCCOc2ccccc2)cc1 48422822 YJNHXXUTETURHD-UHFFFAOYSA-N 349.408 2.736 30 40 EFEB CC/N=C1\S/C(=C/c2ccc(OCC(=O)OC)cc2)C(=O)N1CC 5851696 AYANPGWZTWBRHW-IBZGOXDYSA-N 348.424 2.551 30 40 EFEB N#Cc1cccc(S(=O)(=O)NC2CCC(C(F)(F)F)CC2)c1 22760187 MSJXKVPXVHDQBT-UHFFFAOYSA-N 332.347 2.958 30 40 EFEB Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N[C@H]1CCCC[C@H]1C 40510987 UYGDCFKNRFIZRZ-PXAZEXFGSA-N 339.443 2.845 30 40 EFEB CC(=O)c1cc(C#N)c(SCC(=O)NCc2ccccc2)nc1C 3169431 FICHXLBKQHBXGU-UHFFFAOYSA-N 339.420 2.873 30 40 EFEB CCN1/C(=N/Cc2cccnc2)SC[C@]1(O)c1ccc(F)cc1 1439716 OOZBQXRGOAEIPU-IMGOXIFKSA-N 331.416 2.991 30 40 EFEB N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)Cn2cncn2)cc1 58305532 RBSJSSMZSABUGH-UHFFFAOYSA-N 349.369 2.518 30 40 EFEB Cc1ccc(C#N)cc1NC(=O)N1CCN(c2ccc(O)cc2)CC1 58453751 HKWJQSJTZLWADJ-UHFFFAOYSA-N 336.395 2.926 30 40 EFEB Cc1nnc(=O)[nH]c1N/N=C/c1cccc(OCCc2ccccc2)c1 4422802 XOEUOWQJVRQFJL-DEDYPNTBSA-N 349.394 2.541 30 40 EFEB Cc1nc(C)n([C@H]2CCCN(C(=O)CCc3ccc(C#N)cc3)C2)n1 72235327 UJWDVWGNUVCEMU-SFHVURJKSA-N 337.427 2.563 30 40 EFEB C[C@@H](CC#N)NC(=O)c1ncc(Br)cc1Br 97135154 LUVBIXSHAASPQN-LURJTMIESA-N 347.010 2.639 30 40 EFEB C[C@@H](NCc1cc(C#N)ccc1F)c1ccc(S(C)(=O)=O)cc1 95348738 YMMFUSHDRQLXEC-GFCCVEGCSA-N 332.400 2.952 30 40 EFEB COc1ccc(/C=N\Nc2nnc3c4ccccc4n(C)c3n2)cc1 31771995 UHVWLKPSVIBQSV-ODLFYWEKSA-N 332.367 2.971 30 40 EFEB Cc1nc(C(=O)N(CCC#N)c2ccc3c(c2)OCCO3)ccc1C#N 79000367 JHYQOCLGXRDCSJ-UHFFFAOYSA-N 348.362 2.593 30 40 EFEB Cc1ccc(S(=O)(=O)[C@@H]2[C@H](c3ccc(F)cc3)[C@]2(C#N)C=O)cc1 218560600 GNCCHFLGTJKCIP-KSZLIROESA-N 343.379 2.783 30 40 EFEB Cc1nnccc1N=C(O)N1CCn2c(C3CCCC3)nnc2[C@H]1C 329240754 MYMBUBXDLYKLQS-GFCCVEGCSA-N 341.419 2.656 30 40 EFEB CCC(CC)[C@H]1CCN(/C(=N\C)NCC2CCN(C(C)=O)CC2)C1 86746253 RRUSOSNEXPCVHJ-SFHVURJKSA-N 336.524 2.578 30 40 EFEB Cc1nn2c(c1C#N)NC(=O)[C@@H]2CC(=O)Nc1ccc(C(C)C)cc1 96194533 ZLCXWFYTGBGRBY-HNNXBMFYSA-N 337.383 2.709 30 40 EFEB N#Cc1cccnc1OC1CCN(C(=O)Cc2ccc(F)cc2)CC1 96102865 SSUQQCWRBDWMAS-UHFFFAOYSA-N 339.370 2.705 30 40 EFEB N#C[C@@H](C(=O)c1cccc(-c2nc[nH]n2)c1)/C(O)=N/Cc1ccccc1 330033356 ZPPJDXCWLXAUQX-INIZCTEOSA-N 345.362 2.951 30 40 EFEB N#Cc1ccc(OC2CCN(C(=O)c3c(F)cccc3F)CC2)nc1 90607623 LPMJAFHCOMLJDO-UHFFFAOYSA-N 343.333 2.915 30 40 EFEB C=CCCC(=O)N1CC[C@H](c2ccccc2Cl)S(=O)(=O)CC1 575607782 PKCDAFDRNRBMLL-OAHLLOKOSA-N 341.860 2.994 30 40 EFEB COC(=O)c1cccc(NC(=S)N/N=C/c2ccc(OC)cc2)c1 134339 KYYDELHSOBKDEC-WOJGMQOQSA-N 343.408 2.802 30 40 EFEB C=CCn1c(C)cc(C(=O)COc2cc(OC)ccc2C(N)=O)c1C 21472187 CVECCCLKMKOXBQ-UHFFFAOYSA-N 342.395 2.660 30 40 EFEB Cc1c(C#N)c(O)n(CCO)c(=O)c1/N=N/c1cccc(Cl)c1 108423568 JBCJWTKXQRDTFE-VHEBQXMUSA-N 332.747 2.795 30 40 EFEB CCOC(=O)Cn1nc(C)c2c1N=C(O)C[C@H]2c1ccc(C#N)cc1 71280228 CCVKEDICCMTASP-AWEZNQCLSA-N 338.367 2.750 30 40 EFEB N#Cc1ccccc1CN1CCN(Cc2cn3ccccc3n2)CC1 54613215 GJVMVEWQSAVONY-UHFFFAOYSA-N 331.423 2.524 30 40 EFEB CCOc1ccccc1/C=N/OCC(=O)NCc1ccc(F)cc1 3320702 SKCVJLDXGJAWDE-CIAFOILYSA-N 330.359 2.891 30 40 EFEB Cc1ccc(OCC(=O)O)c2c1[C@H](C)/C(=C/c1cnn(C)c1)C2=O 96993467 AHUDEDOQSHGUJG-PZHUPROXSA-N 326.352 2.575 30 40 EFEB N#Cc1ccc(S(=O)(=O)Nc2nc3ccccc3[nH]2)c(Cl)c1 97081323 CWUKSEAQJSMGFN-UHFFFAOYSA-N 332.772 2.889 30 40 EFEB N#Cc1ccccc1Oc1ccc(NC(=O)Cn2cncn2)cc1F 72303800 PUBLPQQIWODHPM-UHFFFAOYSA-N 337.314 2.720 30 40 EFEB C#CCOc1cccc([C@@H](C)NC(=O)NC[C@@H](O)c2ccsc2)c1 95399905 WNHJJIQWPGDMKH-CXAGYDPISA-N 344.436 2.854 30 40 EFEB CCc1ccc(C(=O)[C@@H](C#N)c2nc(C)cs2)cc1S(C)(=O)=O 95451833 RVTFEYWKCHTFBG-CYBMUJFWSA-N 348.449 2.908 30 40 EFEB C=C(C)CN1CCC(NC(=O)N[C@@H]2CCO[C@H]2c2ccccc2)CC1 96446995 HPFBMPIYQMPANV-MOPGFXCFSA-N 343.471 2.856 30 40 EFEB CN1C[C@@H](NC(=O)CCc2ccc(C#N)cc2)CC[C@H]1C(F)(F)F 583618466 ZCZLFAROZJHCAF-GJZGRUSLSA-N 339.361 2.632 30 40 EFEB C=CCN(C(=O)Nc1ccc(NS(C)(=O)=O)c(Cl)c1)C1CC1 271588529 SRMGSVGNILXVMQ-UHFFFAOYSA-N 343.836 2.894 30 40 EFEB Cc1nc(C(=O)O[C@@H](C)C(=O)c2c[nH]c3ncccc23)ccc1C#N 1116431777 MWRBHOSACZUTMW-NSHDSACASA-N 334.335 2.566 30 40 EFEB C=CCn1c(SCC(=O)NC(=O)NC(C)(C)C)nc2ccccc21 5618806 ZDVZUNUFFUDEOD-UHFFFAOYSA-N 346.456 2.939 30 40 EFEB N#Cc1ccccc1S(=O)(=O)NCc1cncc(-c2ccoc2)c1 575620824 QTTWKHXRMSOFMG-UHFFFAOYSA-N 339.376 2.692 30 40 EFEB C=CCn1nnc(NC(=O)COc2ccc(C3CCCCC3)cc2)n1 10148952 JIJZWANNYNUWRY-UHFFFAOYSA-N 341.415 2.924 30 40 EFEB C[C@@H](Nc1ccc2c(c1)CCC(=O)N2)C(=O)Nc1sccc1C#N 27019543 PXQPMWROURSMPY-SNVBAGLBSA-N 340.408 2.944 30 40 EFEB O=C(Nc1ccc(S(=O)(=O)/N=C2\CCCCCN2)cc1)C1CCC1 3611107 CRWJRZGLVGQZJH-UHFFFAOYSA-N 349.456 2.676 30 40 EFEB C=CCn1c(S[C@H]2CCOC2=O)nnc1-c1ccccc1OC 6077148 HSMYXEJZLNOHGQ-ZDUSSCGKSA-N 331.397 2.547 30 40 EFEB N#CC1(NC(=O)COc2ccc3ccc(=O)oc3c2)CCCCC1 5168710 ZLTXPHBCCMYNKM-UHFFFAOYSA-N 326.352 2.514 30 40 EFEB N#Cc1cnc(SCc2nc(-c3ccc(Cl)cc3)no2)nc1N 7047148 TXEVVXUACFGNFE-UHFFFAOYSA-N 344.787 2.926 30 40 EFEB CCCCOc1ccc(/C=N/N=C2\NC(=O)[C@H](C)S2)cc1OC 9087264 RAQHEEUSFAUARK-MUOOZZNISA-N 335.429 2.816 30 40 EFEB CO[C@@H](/C(O)=N/S(=O)(=O)c1sc(C)nc1C)c1ccccc1 83150847 VJFNPLXBHVTWLJ-GFCCVEGCSA-N 340.426 2.793 30 40 EFEB C=CCn1c(CC)nnc1SCC(=O)Nc1cccc(C(C)=O)c1 9328418 CEVVAILDEUBDSB-UHFFFAOYSA-N 344.440 2.960 30 40 EFEB N#Cc1nc([C@@H]2C[C@@H]2c2ccccc2)oc1N1CCC(C(N)=O)CC1 96346442 MLHWSXHQUIMNNS-HUUCEWRRSA-N 336.395 2.519 30 40 EFEB CN(C(=O)C1CC1)c1ccccc1C(=O)NCC#Cc1ccccc1 72272820 WURSOBDQAWJBRZ-UHFFFAOYSA-N 332.403 2.841 30 40 EFEB C#Cc1cccc(NC(=S)NC[C@@H]2CCN(CC(F)(F)F)C2)c1 72282634 VJZBDSLMYNXMSM-ZDUSSCGKSA-N 341.402 2.839 30 40 EFEB CCCS(=O)(=O)[C@H](C)C(=O)N(Cc1ccc(C#N)cc1)C(C)C 71903377 CKDZRCVIIALXLC-CQSZACIVSA-N 336.457 2.509 30 40 EFEB CCCCCCCCNC(=O)c1c(O)n2cccc(C)c2nc1=O 226822457 AMZWMMDAZSACFJ-UHFFFAOYSA-N 331.416 2.799 30 40 EFEB N#Cc1cc(CN2CCOCC2)cn(CC2CCCCCC2)c1=O 575376922 RDMKPMWJFBRVSQ-UHFFFAOYSA-N 329.444 2.523 30 40 EFEB CC/N=C(/NCCc1cnn(C)c1)NC[C@@H](C)c1ccc(F)c(F)c1 96450230 LJLAVJSFOZWYPA-CYBMUJFWSA-N 349.429 2.600 30 40 EFEB CN(C)c1ncccc1O[C@@H]1CCN(c2c(C#N)cccc2C#N)C1 252482156 CZTAUPIWUWEMPR-MRXNPFEDSA-N 333.395 2.549 30 40 EFEB C=C[C@H](C(=O)N1CCC[C@@H](CNC(=O)C(C)C)C1)c1ccccc1 1616037561 CWZNJRKMDIDNEK-WMZOPIPTSA-N 328.456 2.967 30 40 EFEB CC(C)[C@H]1N(C(=O)NCc2ccc(C#N)s2)CC12CCOCC2 565415880 GXDAITVLSZCYOO-OAHLLOKOSA-N 333.457 2.966 30 40 EFEB COc1ccccc1CCNC(=O)Nc1cccc(OCC#N)c1 48514268 YZBNRQLMJAAACB-UHFFFAOYSA-N 325.368 2.962 30 40 EFEB CC(/C=C/c1ccccc1)=N\NS(=O)(=O)c1ccc([N+](=O)[O-])cc1 16889935 QJPWWLHVQGVEDY-UBFQYUKBSA-N 345.380 2.962 30 40 EFEB CCOC(=O)C/C(=N\Nc1cc(Cl)ccc1[N+](=O)[O-])OCC 4280410 HHWCBFXEYVXXFN-FOWTUZBSSA-N 329.740 2.963 30 40 EFEB O=C1/C(=N\O)c2cc([N+](=O)[O-])ccc2N1Cc1ccc(Cl)cc1 100324156 YZYRXLVCFXIUJR-VKAVYKQESA-N 331.715 2.973 30 40 EFEB C=C[C@]1(O)CCN(S(=O)(=O)c2ccccc2)c2cc(OC)ccc21 384075 HRDURTWVXBTWLH-SFHVURJKSA-N 345.420 2.668 30 40 EFEB C=CCOc1c(Cl)cc(CNc2nnnn2CCC)cc1OC 7263325 SHDFRZWNIZTMSF-UHFFFAOYSA-N 337.811 2.922 30 40 EFEB N#Cc1ccc(/C=C\C(=O)N2CCC[C@@H]2c2nnc3ccccn23)cc1 103329256 WHCOJYQLTNQVPF-QXPKXGMISA-N 343.390 2.978 30 40 EFEB N/C(COc1ccccc1)=N/OCc1cn2cc(Cl)ccc2n1 89845730 GHNDDOLNYSWDEE-UHFFFAOYSA-N 330.775 2.856 30 40 EFEB N#Cc1ccc(CN2C(=O)N[C@@]3(CCc4ccccc43)C2=O)c(F)c1 10537233 YSOPBMLEXMAJDM-LJQANCHMSA-N 335.338 2.591 30 40 EFEB C[C@H](OC(=O)c1ccc(Cl)c(N)c1)C(=O)Nc1ccccc1C#N 6422067 CFKINKYLNAJPNK-JTQLQIEISA-N 343.770 2.978 30 40 EFEB N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)c2ccc(F)cc2)CC1 14157670 CSQKLFKEIZECBL-SFHVURJKSA-N 341.361 2.987 30 40 EFEB C=CCn1c(S[C@H](C)C(=O)NC2CC2)nnc1-c1ccoc1C 6911608 RFIIIGDFYZEKIC-LLVKDONJSA-N 332.429 2.792 30 40 EFEB CN(Cc1noc(C2CC2)n1)[C@@H]1CCN(Cc2ccccc2C#N)C1 72300007 SSWBGIIOHLQFRJ-QGZVFWFLSA-N 337.427 2.525 30 40 EFEB C=C[C@@H](C)NC(=O)N1CCO[C@@H](c2cccc(OC(F)F)c2)C1 95442770 RPMZUMGVUSXDHP-BXUZGUMPSA-N 326.343 2.945 30 40 EFEB CC(C)c1n[nH]c([C@H]2CN([C@@H](C)c3ccc(C#N)cc3)CCO2)n1 78892912 NJJBPSRDZCBGSH-XJKSGUPXSA-N 325.416 2.934 30 40 EFEB O=C1[C@@H]2[C@@H](C(=O)N1/N=C/c1ccccc1Cl)[C@H]1C=C[C@@H]2C12CC2 4474981 RWKOTIBHCJTIHZ-GASKALSNSA-N 326.783 2.871 30 40 EFEB O=C1[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)N1/N=C/c1cccc(Br)c1 408719462 MONAZXAXVJJJPC-WUVNQNKHSA-N 345.196 2.590 30 40 EFEB CCOc1ccccc1/C=N\Nc1cnnc(O)c1Br 31833879 ZRAATKGKUHXEOE-CHHVJCJISA-N 337.177 2.789 30 40 EFEB N#C[C@@]1(C=O)[C@H](c2ccc(Cl)cc2)[C@@H]1S(=O)(=O)c1ccccc1 218488160 OKCXJLPUBDQSNT-IXDOHACOSA-N 345.807 2.989 30 40 EFEB C=CCN(c1ccc(OC)cc1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 225021461 WTKWZVWCCOJZFU-UHFFFAOYSA-N 348.380 2.985 30 40 EFEB CC(C)n1c(C#N)cc(N)c1N1CCN(c2ccc(F)cc2)CC1 225870674 WRCAYTXOBVYWTN-UHFFFAOYSA-N 327.407 2.989 30 40 EFEB Cn1cc(/C(O)=N/S(=O)(=O)C2CCCC2)c(-c2cccs2)n1 91868153 IZQUYROYCUZIGY-UHFFFAOYSA-N 339.442 2.726 30 40 EFEB CCOc1ccc(N(CCC#N)C(=O)Cn2nnc3ccccc32)cc1 65542745 UNIVQABSOJMBFH-UHFFFAOYSA-N 349.394 2.777 30 40 EFEB COc1ccc(Cn2cc(Br)cc(C)c2=O)cc1C#N 147669183 DZPVYAIOUOVXRV-UHFFFAOYSA-N 333.185 2.848 30 40 EFEB N#Cc1cccc(C(=O)N2CC[C@H](n3cc(-c4ccccc4)nn3)C2)c1 217655091 GLOHAMLDRRCTRB-SFHVURJKSA-N 343.390 2.904 30 40 EFEB CCc1ccc(C2=C(C(C)=O)Sc3nnc(C)n3N2C(C)=O)cc1 4518223 RSFYUSSRCBVLPA-UHFFFAOYSA-N 342.424 2.697 30 40 EFEB Cc1cc(=O)[nH]c(SCC(=O)N[C@H](C)[C@@H]2C[C@H]3CC[C@H]2C3)c1C#N 102210403 YGTZTYURKUODOD-RFGFWPKPSA-N 345.468 2.588 30 40 EFEB CCOCCOCCCNC1=C(Cl)C(=O)c2ccccc2C1=O 100347253 DSMOYSUHFZDLAK-UHFFFAOYSA-N 337.803 2.549 30 40 EFEB Cc1ccc2c(c1)C(=O)N([C@@H](C)C(=O)OCc1ccccc1C#N)C2=O 25082577 LFPRQWOKOANTSM-ZDUSSCGKSA-N 348.358 2.595 30 40 EFEB Cc1ccc(/C(N)=N/OCC(=O)N[C@@H](C)[C@@H]2C[C@@H]3CC[C@@H]2C3)cc1 102887336 KAXVZJQZATYJGL-ABFRBSLYSA-N 329.444 2.573 30 40 EFEB N#Cc1ccc(NC(=O)CN2C(=O)COc3ccc(Cl)cc32)cc1 23395222 PXZYOFHZGRPXGP-UHFFFAOYSA-N 341.754 2.576 30 40 EFEB CC1(C)CC(=O)C2=C(C1)N(Cc1ccco1)C(=O)[C@@]2(O)C(F)(F)F 2195225 VIZSXAXOCRYPLJ-OAHLLOKOSA-N 343.301 2.558 30 40 EFEB CCc1nc(C#N)c(NC[C@H](c2ccc(N(C)C)cc2)N(C)C)o1 27991065 ZFAATRFGEKAWFQ-MRXNPFEDSA-N 327.432 2.889 30 40 EFEB N#Cc1c(N/C=C2\C(=O)N=C(S)N=C2O)sc2c1CCCC2 17027311 LVLBCJFIWPNXPX-UHFFFAOYSA-N 332.410 2.577 30 40 EFEB Cc1ccc(CO/N=C/[C@H]([N+](=O)[O-])S(=O)(=O)c2ccccc2)cc1 5338961 ABPPPDHAJJMTAM-PCJMVEANSA-N 348.380 2.574 30 40 EFEB Cc1cccc2nc(CNC(=O)[C@H](C)Oc3ccccc3C#N)cn12 68569578 CWMUESXGPXDHTC-AWEZNQCLSA-N 334.379 2.598 30 40 EFEB Cn1cc(C#N)cc1C(=O)Nc1nc2ccccc2nc1N1CCCC1 84314393 HWMCFOYEGTVVME-UHFFFAOYSA-N 346.394 2.692 30 40 EFEB N#Cc1ccccc1-c1ccc(CN2CCCN(C(N)=O)CC2)cc1 95430661 BHEICRDOJRCRLF-UHFFFAOYSA-N 334.423 2.812 30 40 EFEB N#Cc1ccc(OCCN2CC[C@H](CNc3ccc(C#N)cn3)C2)cc1 65516913 YYCDHKDFVRBWGH-GOSISDBHSA-N 347.422 2.638 30 40 EFEB C[C@H](Oc1ccc(-c2nnco2)cc1)C(=O)NC1(C#N)CCCCC1 7294298 RFVWDIYDIBVOHS-ZDUSSCGKSA-N 340.383 2.847 30 40 EFEB C=CCN(c1ccccc1C(=O)OC)S(=O)(=O)c1ccc(F)cc1 224909490 DHSMATVFIJUQQD-UHFFFAOYSA-N 349.383 2.994 30 40 EFEB CN(C)C(=O)[C@H]1CCCN1C(=O)Nc1ccc(C(C)(C)C#N)cc1 96433991 FWIITAXMPJTPGZ-OAHLLOKOSA-N 328.416 2.572 30 40 EFEB COc1ccc(NN=C(C(N)=O)c2nc3ccccc3s2)cc1 254704925 ZYNZNEUGFBZOHD-UHFFFAOYSA-N 326.381 2.606 30 40 EFEB C[C@H](CC(=O)N1CCN([C@H](C#N)c2ccccc2)CC1)c1ccncc1 97379017 GHSKRBYYJXXIQG-YLJYHZDGSA-N 348.450 2.984 30 40 EFEB N#Cc1ccccc1CN(Cc1cccs1)[C@H]1CCS(=O)(=O)C1 40474008 GRXFRXOJAZIECC-INIZCTEOSA-N 346.477 2.809 30 40 EFEB CC#C[C@@H]1[C@]2(C)[C@@]3(Br)[C@@H](CC)[C@@]1(C)S(=O)(=O)[C@@]32C 101377266 IZMOMVHASBKFLY-VPCRRHSYSA-N 331.275 2.765 30 40 EFEB COc1ccc(CNC(=O)Cn2cc(C#N)c3ccccc32)cc1OC 51319143 CGQNCKGQYFLALR-UHFFFAOYSA-N 349.390 2.847 30 40 EFEB Cc1ccc(S(=O)(=O)N/N=C2/C[C@@H]3[C@@H]4C[C@@H]5[C@H]3CC[C@H]5[C@@H]24)cc1 104061187 AOWJDZNASUGJOG-BSPKTAAESA-N 330.453 2.941 30 40 EFEB N#CCN(Cc1ccccc1)C(=O)CCc1nc(-c2cccnc2)no1 54629659 KDGDCRCCUWXLKY-UHFFFAOYSA-N 347.378 2.617 30 40 EFEB CC(C)(C)[C@H]1CCCC[C@H]1NC(=O)NCCCc1n[nH]c(N)c1C#N 48279055 IJWGGOLYIVZYPS-DZGCQCFKSA-N 346.479 2.700 30 40 EFEB O=[N+]([O-])c1ccccc1S(=O)(=O)/N=C(\O)COC1CCCCC1 48423600 FDQPRYXHBXEMBB-UHFFFAOYSA-N 342.373 2.589 30 40 EFEB C=C(C)C[C@@H]1N(c2ccccc2C)C(=O)[C@@H]2[C@H](C(=O)O)[C@H]3C=C[C@@]12O3 5341904 INFSPPRSFZBLBY-QOSLBHJFSA-N 339.391 2.701 30 40 EFEB Cc1nc(C)n(C[C@@H]2CCCN(CCOc3cccc(C#N)c3)C2)n1 69952129 CQMIBFXPMFTONO-GOSISDBHSA-N 339.443 2.558 30 40 EFEB N#Cc1ccc(NCCNC(=O)c2cccnc2)cc1C(F)(F)F 67351205 NWACHVDMCBJUBR-UHFFFAOYSA-N 334.301 2.814 30 40 EFEB CSc1ccsc1C(=O)N1CCN(c2cc(C#N)ccn2)CC1 71884535 RSMHWULJFMFAOO-UHFFFAOYSA-N 344.465 2.699 30 40 EFEB O=S(=O)(C[C@H]1CCCCO1)/N=C(\O)c1sccc1C1CC1 96404496 OITWSBREZGYCOU-LLVKDONJSA-N 329.443 2.829 30 40 EFEB N#Cc1ccnc(O[C@H]2CCN(C(=O)/C=C/c3cccs3)C2)c1 253475410 SNLDCTLSIPMJNI-XGACYXMMSA-N 325.393 2.708 30 40 EFEB CCNC(=S)N/N=C/c1cc(OCC)c(OCC)cc1Cl 6154270 LYEXLLLEXGZGAN-RQZCQDPDSA-N 329.853 2.955 30 40 EFEB C=CCCC(=O)NC1CCN(c2cc(C(F)(F)F)nc(C)n2)CC1 575605421 PKMDMYNSBKUJAZ-UHFFFAOYSA-N 342.365 2.855 30 40 EFEB N#Cc1cc(N2CCC3(CCN(Cc4ccccc4)CC3)C2)ncn1 310988125 KVUDGMUMOLSLOG-UHFFFAOYSA-N 333.439 2.841 30 40 EFEB N#Cc1cccc(C(=O)NCCC(=O)N2CCCc3ccccc32)c1 40542444 ZYQOHGXUGDCRPX-UHFFFAOYSA-N 333.391 2.658 30 40 EFEB C=CC(=O)OC[C@@H](O)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)F 2560086 MMZXPRQMECEMRJ-YFKPBYRVSA-N 348.161 2.935 30 40 EFEB Cc1csc[n+]1CC(=O)c1ccc(I)cc1 1667000 UVLFBTRJFWNVGQ-UHFFFAOYSA-N 344.197 2.832 30 40 EFEB CCC(C)(C)NC(=O)c1ccc2c(c1)N(CC#N)C(=O)C(C)(C)O2 4965833 ONHLCADVFNXWEX-UHFFFAOYSA-N 329.400 2.633 30 40 EFEB C=CCSc1nnc(NC(=O)c2ccc3c(c2)OCCO3)s1 6790386 XZUHITZIRJWHPL-UHFFFAOYSA-N 335.410 2.840 30 40 EFEB C#CCNC(=O)[C@@H]1CCC(=O)N(CCCC)[C@H]1c1ccccc1OC 22690923 CYVIHPAUSCZBPZ-APWZRJJASA-N 342.439 2.524 30 40 EFEB O[C@@H]1/C(=N\Nc2ccccc2)[C@@H]2OC[C@H](O2)[C@H]1/N=N/c1ccccc1 102314602 XMZFFOLXUKPTHA-XJUCAPFISA-N 338.367 2.723 30 40 EFEB COC(=O)N(C)CC(=O)[C@@H](C#N)c1nc(-c2ccc(C)cc2)cs1 58281847 AKFNNNYUHIIBFH-CYBMUJFWSA-N 343.408 2.993 30 40 EFEB CSC/C(O)=N/S(=O)(=O)c1cc(Br)ccc1C 48487599 USVIQCLVNSRYTL-UHFFFAOYSA-N 338.248 2.766 30 40 EFEB O=C1O[C@@H](c2cccc([N+](=O)[O-])c2)C(C(=O)c2ccccc2)=C1O 4149764 SZISGVZXXSBURU-INIZCTEOSA-N 325.276 2.888 30 40 EFEB Cc1cccc(OCC(=O)N[C@H](C#N)c2cnn(-c3ccccc3)c2)c1 65531414 LDZABRWVWYZDLT-LJQANCHMSA-N 346.390 2.941 30 40 EFEB N#Cc1ccc(OC[C@@H](O)CNC23CC4CC(CC(C4)C2)C3)cc1 6653249 QDRKDFMHWMILDG-AZRLCKCBSA-N 326.440 2.856 30 40 EFEB CC(=O)c1cccc(OC/C(O)=N/S(=O)(=O)c2cccs2)c1 83862096 AUEAVXJXRUZPBN-UHFFFAOYSA-N 339.394 2.675 30 40 EFEB Cc1cccc(S(=O)(=O)/N=C(\O)[C@H](C)OC[C@@H]2CCCCO2)c1 96999992 FELYNAMYSOYHKR-KBPBESRZSA-N 341.429 2.614 30 40 EFEB CN(C[C@H](c1cccs1)N1CCOCC1)c1ncccc1C#N 72276382 HGGIRQCPZGOQNC-OAHLLOKOSA-N 328.441 2.524 30 40 EFEB CC/N=C(/NCCCSC)NC1CCN(c2ccc(C)cn2)CC1 97013624 JWEAVKAACOOUKP-UHFFFAOYSA-N 349.548 2.667 30 40 EFEB C=CCNC(=O)C1(NCc2nnc(-c3cccs3)o2)CCCCC1 95432271 FMEYTTIUNVRRGE-UHFFFAOYSA-N 346.456 2.893 30 40 EFEB N#CC1(NC(=O)CCOc2ccc(Br)cc2F)CC1 78874975 FPHRAOOPIYJJHE-UHFFFAOYSA-N 327.153 2.529 30 40 EFEB CCc1cc(N[C@@H]2CCC[C@H]2C(N)=O)n2c(nc3ccccc32)c1C#N 75109733 HQFVAFQVSCZTLI-UKRRQHHQSA-N 347.422 2.987 30 40 EFEB C=CCOc1ccc(NC(=O)C(=O)NCc2ccc(F)cc2)cc1 408709245 QPSFGKWMRAYBGT-UHFFFAOYSA-N 328.343 2.645 30 40 EFEB C=CCN(c1cccc(C(=O)OC)c1)S(=O)(=O)c1ccc(F)cc1 224922252 NZVMAYIPFUUYIW-UHFFFAOYSA-N 349.383 2.994 30 40 EFEB C=CCn1c(N)nnc1SCc1ccn(-c2ccc(F)cc2)n1 96424861 KNZRORLKELEOTA-UHFFFAOYSA-N 330.392 2.663 30 40 EFEB C[C@H]1CN(C(=O)Cn2cc(SCC#N)c3ccccc32)C[C@@H](C)O1 16047448 MLAAEAFKZWEGFN-OKILXGFUSA-N 343.452 2.893 30 40 EFEB C=CCn1c(Cl)c(C=O)s/c1=N/S(=O)(=O)c1cccs1 100392135 COURAVQVMMYNRY-ACCUITESSA-N 348.858 2.553 30 40 EFEB N#Cc1ccc(OCCn2nnc(-c3ccc(Cl)cc3)n2)cc1 11531450 JFXUWGGVGCEUMP-UHFFFAOYSA-N 325.759 2.944 30 40 EFEB N#Cc1cnn(-c2cccc(C(=O)Nc3ccc(F)c(F)c3)c2)c1N 69654791 MWEWLOJSPFACLF-UHFFFAOYSA-N 339.305 2.857 30 40 EFEB Cc1sc2ncn(/N=C/c3ccc4c(c3)OCCO4)c(=O)c2c1C 6902403 ZMOBVHJRZLNBIG-UFWORHAWSA-N 341.392 2.728 30 40 EFEB COc1ccc(/C=N/Nc2nnc3c(n2)[nH]c2ccccc23)c(OC)c1 6924524 KVDIQLFIBYPVEV-VXLYETTFSA-N 348.366 2.969 30 40 EFEB C[C@@H](NS(=O)(=O)Cc1noc2ccccc12)c1ccc(C#N)cc1 96006796 ATTISDJCKWSNPH-GFCCVEGCSA-N 341.392 2.880 30 40 EFEB N#CCCN(CC1CC1)C(=O)c1nc(C2CC2)n(-c2ccccc2)n1 89853275 YBCVTJGXMKOOOV-UHFFFAOYSA-N 335.411 2.911 30 40 EFEB CCOC(=O)c1cc(C#N)c(S[C@@H](C(=O)N(C)C)C(C)C)nc1C 58209515 UXBGWEDBOJCUIW-CQSZACIVSA-N 349.456 2.643 30 40 EFEB C#CCN(Cc1ccc(C)cc1)C(=O)[C@H]1CCCN(C(=O)CC)C1 58277496 MZQRJWZGBYUZPQ-SFHVURJKSA-N 326.440 2.605 30 40 EFEB CN(C(=O)c1ccc(NC(=O)c2ccccn2)cc1)C1(C#N)CCC1 58391573 YLAGZFHSGSVWAD-UHFFFAOYSA-N 334.379 2.852 30 40 EFEB N#C[C@H](NC(=O)c1cc[nH]n1)c1ccc(OCc2ccccc2)cc1 69571271 MDSWVCQKSOQTPO-SFHVURJKSA-N 332.363 2.983 30 40 EFEB O=C(/C=C1\NCCc2cc3c(cc21)OCO3)c1ccc2c(c1)OCO2 4090275 NHDRMEAUHLHLNK-ZSOIEALJSA-N 337.331 2.514 30 40 EFEB biogenic CCOCCCN1C(=O)C(O)=C(C(C)=O)[C@H]1c1ccc(OCC)cc1 66091532 BLNWEFBQTTWORY-QGZVFWFLSA-N 347.411 2.796 30 40 EFEB C[C@H](CC#N)N(C)C(=O)c1cc(Br)c2c(c1)OCCO2 78420233 ZCFXZMRCRWNKRQ-SECBINFHSA-N 339.189 2.594 30 40 EFEB C[C@@H](Oc1ccccc1C#N)C(=O)OC1CCC2(CC1)OCCO2 95450762 UGTZWFVUGLNFIK-CYBMUJFWSA-N 331.368 2.554 30 40 EFEB CCS(=O)(=O)c1cccc(C(=O)N[C@@H](C)c2cccc(C#N)c2)c1 95447216 KWCPXALTFAFVKI-ZDUSSCGKSA-N 342.420 2.843 30 40 EFEB CC/N=C(/NCCCSC)NC1CCN(c2cccc(C)n2)CC1 85541352 ARMAVAORCXFHSS-UHFFFAOYSA-N 349.548 2.667 30 40 EFEB COC(=O)[C@H](CNCc1ccc(C#N)cc1)Cc1ccc(O)c(F)c1 585116780 IISZBXNZEZIAPX-INIZCTEOSA-N 342.370 2.524 30 40 EFEB CCOCCC1(CN/C(=N/C)N2C[C@H](CC)O[C@@H](CC)C2)CC1 1615589859 LVRCPSGITHLQPV-HOTGVXAUSA-N 325.497 2.658 30 40 EFEB COC(=O)c1sccc1NC(=O)CSc1cc(C#N)ccn1 390833925 OURQQIJKVUFYRV-UHFFFAOYSA-N 333.394 2.532 30 40 EFEB N#C[C@H](C(=O)C[C@@]12CCCC[C@H]1C2(F)F)C(=O)Nc1ccccn1 585094022 LZXRDVHNFAVUGI-KFNAQCHYSA-N 333.338 2.945 30 40 EFEB COC(=O)c1ccc(N/N=C2/C(=O)N(c3ccccc3)N=C2C)cc1 100281681 MLNISTAZHGNDAK-CAPFRKAQSA-N 336.351 2.664 30 40 EFEB CC(C)c1nc(NCCN2CCOCC2)c(C#N)c2c1CCCC2 20573341 OFCQOIRBKLQPAK-UHFFFAOYSA-N 328.460 2.700 30 40 EFEB O=C(/C=C/c1ccccc1)C1=C(O)C(=O)N(CCO)[C@H]1c1ccccc1 273443 AVSCAEFNXOINRC-CVTTXWKISA-N 349.386 2.657 30 40 EFEB O=C1C(Cl)=C(Cl)C(=O)C(CCNc2ncccn2)=C1Cl 377095 ORXRFLXCWVELEK-UHFFFAOYSA-N 332.574 2.613 30 40 EFEB C=C(Br)CN1CCN(CCOc2ccccc2)CC1 52440730 FRKVTCBDMYSKJV-UHFFFAOYSA-N 325.250 2.592 30 40 EFEB CC[C@@]1(C)NC(=O)N(/N=C/c2cc(Br)ccc2F)C1=O 33045783 DOKSZCBAUVVNPF-DFWYYUMKSA-N 342.168 2.643 30 40 EFEB N#C[C@@H](C(=O)c1ccc(OC(F)(F)F)cc1)C(=O)N1CCCCC1 103502477 VOOHZWRJENOZMM-ZDUSSCGKSA-N 340.301 2.920 30 40 EFEB C#CCNC(=O)[C@@H]1CCC(=O)N(CCCC)[C@@H]1c1ccccc1OC 22690926 CYVIHPAUSCZBPZ-VQIMIIECSA-N 342.439 2.524 30 40 EFEB CC/N=C1/S[C@@H](C(=O)Nc2ccc(OCC)cc2)CC(=O)N1CC 100245271 IHWCKXUNHJHMFD-IAFNSTAXSA-N 349.456 2.754 30 40 EFEB N#Cc1cccc(C(=O)N[C@H]2CCCN(C(=O)c3ccccc3)C2)c1 69454959 SYGFGCAYTGGIDO-SFHVURJKSA-N 333.391 2.593 30 40 EFEB C=CCn1cnnc1S[C@H](C)C(=O)c1ccc(OC)c(OC)c1 58203005 DXDPLPOBANJWRP-LLVKDONJSA-N 333.413 2.845 30 40 EFEB C=CCN(CC=C)C(=S)NC(=O)/C=C/c1ccc(OC)c(OC)c1 8493369 LSERQKZBJQUJOO-CSKARUKUSA-N 346.452 2.792 30 40 EFEB O=C1NC2(CCCCC2)C(=O)N1/N=C/C=C/c1ccccc1[N+](=O)[O-] 3413129 YWRCOSRGWJNYOK-HIOLSYOPSA-N 342.355 2.849 30 40 EFEB C=CCNc1nc(C(=O)OCC(=O)N(C)Cc2ccccc2)cs1 3527723 JFVFEGXCCLVRPM-UHFFFAOYSA-N 345.424 2.556 30 40 EFEB COc1ccc(CCN2CC[C@@H](CNc3ncccc3C#N)C2)cc1 65494365 HHYLLCBNKIBEQY-KRWDZBQOSA-N 336.439 2.938 30 40 EFEB OCC#CCSc1nnc(-c2cccc(Br)c2)o1 4704617 KCYBWWXWCSTODD-UHFFFAOYSA-N 325.187 2.587 30 40 EFEB N#Cc1cc(C(=O)c2ccccc2O)cn2c(=O)c3ccccc3nc12 7714888 GNPBYEXDHOXBSQ-UHFFFAOYSA-N 341.326 2.656 30 40 EFEB CCNC(=S)N/N=C/c1ccc(-c2ccc(C(=O)O)cc2C)o1 409372431 KVIQTQCNPCNGNZ-GIJQJNRQSA-N 331.397 2.771 30 40 EFEB C[C@@H]1CN(c2ccc(Nc3ncc([N+](=O)[O-])cc3C#N)cc2)CCO1 76689025 ZTXZHZNWVGKMQM-GFCCVEGCSA-N 339.355 2.830 30 40 EFEB C/N=C(\NCc1ncc(C)s1)N[C@@H](C)c1cc(OC)ccc1OC 75077661 GYJRJYYJCCENLZ-LBPRGKRZSA-N 348.472 2.895 30 40 EFEB C=CCN1C(=O)COC2(CCN(Cc3ccc(C)s3)CC2)[C@H]1C 96201541 FTZIHNOOYPTRST-OAHLLOKOSA-N 334.485 2.824 30 40 EFEB Cc1nc(-c2ccc(S(=O)(=O)N(CCC#N)CC3CC3)cc2)co1 96409578 FXFYRMGYUIUVAM-UHFFFAOYSA-N 345.424 2.964 30 40 EFEB CC(C)(C)CN(CCC#N)S(=O)(=O)c1cc(F)cc([N+](=O)[O-])c1 96449223 BBGCXWQJTJWXKW-UHFFFAOYSA-N 343.380 2.684 30 40 EFEB CCc1cnc(N2CCN(c3ccc([N+](=O)[O-])c(C#N)c3)CC2)s1 390833493 IDUMQPXNZGEONZ-UHFFFAOYSA-N 343.412 2.812 30 40 EFEB Cc1ccc([C@@]2(C)NC(=O)N(Cc3ccc(C#N)cc3F)C2=O)o1 58306759 QSVBPUAKPBMRRX-QGZVFWFLSA-N 327.315 2.566 30 40 EFEB N#Cc1ccnc(O[C@H]2CCCN(C(=O)CSC3CCCC3)C2)c1 575604895 DDUIJZUFZRMIBE-HNNXBMFYSA-N 345.468 2.999 30 40 EFEB C=CCCC(=O)N1CCC2(CCCN(CC3CCOCC3)C2=O)CC1 108531522 XYHANCJNBCXUOA-UHFFFAOYSA-N 348.487 2.610 30 40 EFEB N#C[C@H]1C[C@H]2CC3(CC[C@@H]2CN1C(=O)c1ccccc1)OCCO3 8655257 XIPRMSHMVONOPL-IXDOHACOSA-N 326.396 2.584 30 40 EFEB COCCN1C(=O)C(=O)/C(=C(/O)c2ccccc2)[C@H]1c1ccccc1 102799991 YEERIRCECNUBJA-GROYHEBESA-N 337.375 2.755 30 40 EFEB C[C@H](O)[C@@]12O[C@H]1C[C@H]1[C@@H]3C[C@H]4O[C@@]45C[C@@H](O)CC[C@]5(C)[C@H]3CC[C@@]12C 118936547 RJABTWNZKWUIGQ-PJPBTOKOSA-N 348.483 2.650 30 40 EFEB N#CC1(C(=O)NCc2cn3cc(Br)ccc3n2)CCCC1 58224374 YCWNSMISRMGDRR-UHFFFAOYSA-N 347.216 2.797 30 40 EFEB CS/C(=N/S(=O)(=O)c1cccs1)NC(=O)c1ccccc1 6140175 ZBYDUPXTKRRDGE-UHFFFAOYSA-N 340.451 2.586 30 40 EFEB COc1cccc(/C=N/n2c(-c3cc(C)[nH]n3)n[nH]c2=S)c1OC 5625934 SIXRKWYQNDFFSK-LZYBPNLTSA-N 344.400 2.539 30 40 EFEB CC(C)(CC(=O)N1CCN(c2cc(C#N)ccn2)CC1)c1ccccc1 71835224 BTCWAMWUOKZZSD-UHFFFAOYSA-N 348.450 2.970 30 40 EFEB C[C@H](Oc1ccccc1C#N)C(=O)N1CCCC[C@@H]1Cn1cccn1 71865213 WOYVYBODEPKMEA-DOTOQJQBSA-N 338.411 2.603 30 40 EFEB Cc1nc(C(=O)N2CCC[C@H]2c2c(C)nn(C)c2Cl)ccc1C#N 75602294 SIJXGTRNCHDRSO-AWEZNQCLSA-N 343.818 2.934 30 40 EFEB N#C[C@@H](C(=O)c1ccc(Cl)c(N2CCNC2=O)c1)c1ccccn1 76090012 UGCYIEHDAVNZSD-GFCCVEGCSA-N 340.770 2.755 30 40 EFEB N#C[C@]1(NC(=O)c2ccn(-c3ccccc3Cl)n2)CCSC1 84515041 FHQQLNRGDBAKDJ-OAHLLOKOSA-N 332.816 2.655 30 40 EFEB N#C[C@]1(NC(=O)CCSc2cc(F)ccc2F)CCSC1 95394866 QCISUEXNJFCOTD-CQSZACIVSA-N 328.409 2.962 30 40 EFEB COc1ccc(-c2nc3ccc(S(C)(=O)=O)cc3[nH]2)cc1C#N 95442598 UWXDCIOSVYZESJ-UHFFFAOYSA-N 327.365 2.514 30 40 EFEB C=CCNC(=O)C1(NC(=O)c2cccc(OC)c2F)CCCCC1 95445413 ILGXOJULOPJNRY-UHFFFAOYSA-N 334.391 2.569 30 40 EFEB CC(C)[C@@](C)(C#N)NC(=O)COC(=O)CSc1ccc(F)cc1 7780159 JYHKMHGBSMZLTD-MRXNPFEDSA-N 338.404 2.515 30 40 EFEB Cc1noc(C)c1[C@@H](C)NC(=O)N1CC(Oc2ccc(C#N)cc2)C1 97378260 KQARVIKOOVLUHC-LLVKDONJSA-N 340.383 2.697 30 40 EFEB Cn1cc(C(=O)C[C@H]2CCCN2c2ncc(C#N)cc2Cl)cn1 96496740 AUALFTURNYRJOE-CYBMUJFWSA-N 329.791 2.582 30 40 EFEB C[C@@H]1Oc2c(cccc2C(=O)[C@H](C#N)c2nc3ccccc3[nH]2)NC1=O 390834635 JVCRYSNRRIQKKK-JQWIXIFHSA-N 346.346 2.772 30 40 EFEB C=CCN(Cc1cccs1)C(=O)CNC(=O)c1ccc(F)cc1 21930459 GOHWRXXOKUGSGA-UHFFFAOYSA-N 332.400 2.832 30 40 EFEB C[C@H]1CN(C(=O)c2occc2COc2cccc(C#N)c2)C[C@@H](C)O1 69371761 JHDVPUZOLVCDMD-OKILXGFUSA-N 340.379 2.980 30 40 EFEB C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)N1CCC(O)CC1 27536907 ADPJOXXDUPQKNS-GFCCVEGCSA-N 347.484 2.672 30 40 EFEB C[C@@H](c1nc(C2CC2)no1)N1CCN(Cc2ccccc2C#N)CC1 69418490 AVYVJAXPXLCTRH-AWEZNQCLSA-N 337.427 2.697 30 40 EFEB CCOC(=O)NC(=O)CSc1nc(C)cc(C(F)(F)F)c1C#N 4093517 ANHPPXHRLJXKPP-UHFFFAOYSA-N 347.318 2.645 30 40 EFEB C=C(Br)COC(=O)c1ccc(-n2c(C)c[nH]c2=O)cc1 63997249 BIIRBASEIYLODV-UHFFFAOYSA-N 337.173 2.539 30 40 EFEB Cc1cc(Cn2cc(C#N)c(=O)c3cc(Br)ccc32)on1 69811892 VXSUYJKQXHQFSK-UHFFFAOYSA-N 344.168 2.980 30 40 EFEB CC(C)(C)[C@]1(O)CC(C(F)(F)C(F)(F)C(F)(F)F)=NN1C=O 4613927 WLRNEFJQROCZOK-MRVPVSSYSA-N 338.223 2.772 30 40 EFEB OCCSc1nc2ccccc2nc1N/N=C/c1ccccc1O 4648805 WUVZKDHGNHKSOL-WOJGMQOQSA-N 340.408 2.866 30 40 EFEB COC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)Oc2ccc(C#N)cc2)c1C 5868486 VSACQSQRIHBMKA-GFCCVEGCSA-N 326.352 2.940 30 40 EFEB C#CCN1CCC(C(=O)N2CCO[C@H](c3ccc(Cl)cc3)C2)CC1 66921154 QZSPFCRGBCFXRM-SFHVURJKSA-N 346.858 2.585 30 40 EFEB N#Cc1cccc(NC(=O)COC(=O)Cc2ccccc2Cl)c1 7535592 VDBVSTULOHWHHC-UHFFFAOYSA-N 328.755 2.936 30 40 EFEB COc1ccc(/N=C\c2ccc(O[C@H](C)C(=O)O)c(OC)c2)cn1 409020799 TZMPAIVAEHBXAZ-RGVUVNHFSA-N 330.340 2.701 30 40 EFEB Cc1c[nH]/c(=N\S(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)s1 83577153 QDVHURCQUHFMBX-UHFFFAOYSA-N 347.343 2.565 30 40 EFEB N#CCn1cc(C(=O)N2CCC[C@H](n3cccn3)C2)c2ccccc21 72283091 GTTRKKSLFDYPPC-HNNXBMFYSA-N 333.395 2.839 30 40 EFEB C=CCCS(=O)(=O)Nc1ccc(C(=O)NCc2ccco2)cc1C 95428134 WVTXKCBBPOBFOM-UHFFFAOYSA-N 348.424 2.836 30 40 EFEB CN1C(=O)N/C(=C/c2ccccc2OCc2ccccc2C#N)C1=O 409191789 NJIGTVJXEAQFQJ-MHWRWJLKSA-N 333.347 2.660 30 40 EFEB CN(Cc1ccccc1C(C)(C)C#N)[C@H]1CCC[C@@H]1S(C)(=O)=O 96480658 IDCKWBPWHFULMZ-IRXDYDNUSA-N 334.485 2.885 30 40 EFEB C=C(Br)CNC(=O)N1CCc2ccc(OC)cc2C1 69117238 MAULMLLATNQECI-UHFFFAOYSA-N 325.206 2.672 30 40 EFEB C/C(O)=N/c1nc(S(=O)(=O)Cc2ccc(Cl)cc2Cl)n[nH]1 17887717 DYYZGAFLMZDVSE-UHFFFAOYSA-N 349.199 2.693 30 40 EFEB CCc1cccc(CC)c1/N=C1\NC(=O)[C@H](CC(=O)NC2CC2)S1 28892859 PKQZPVHOIDWTAO-AWEZNQCLSA-N 345.468 2.699 30 40 EFEB N#Cc1cccc(C(=O)N2CC[C@H](N3CCc4ccccc4C3)C2)c1 225684371 BZXVYMLGXQSIMH-FQEVSTJZSA-N 331.419 2.831 30 40 EFEB C[C@](C#N)(NC(=O)COc1ccc(F)cc1Br)C1CC1 21605664 CZYXBDSJLCIIMC-CQSZACIVSA-N 341.180 2.775 30 40 EFEB CCOc1cc(C=Nn2cnnc2)cc(Br)c1OCC 8536313 YQOKNYSIZFWBDH-UHFFFAOYSA-N 339.193 2.720 30 40 EFEB Cc1c(/N=C2\C=CC(=O)c3ncccc32)c(=O)n(-c2ccccc2)n1C 105017396 JVAUBSRJRWXVGR-CJLVFECKSA-N 344.374 2.753 30 40 EFEB Cc1c(C#N)c(NC(=O)CN2CCO[C@@H](C)C2)n(C2CCCC2)c1C 24114688 DLKKAVGTYSLHCU-ZDUSSCGKSA-N 344.459 2.751 30 40 EFEB CC(C)c1n[nH]c([C@@H]2CN([C@H](C)c3ccc(C#N)cc3)CCO2)n1 107141108 NJJBPSRDZCBGSH-CJNGLKHVSA-N 325.416 2.934 30 40 EFEB CN1CCN(Cc2cccc(NC(=O)c3cccc(C#N)c3)c2)CC1 57054038 FCHLVQBWYONJEC-UHFFFAOYSA-N 334.423 2.558 30 40 EFEB COc1cc(OC)cc(C(=O)NCCNc2cccc(F)c2C#N)c1 47341506 CYBLLIJXFPKEGF-UHFFFAOYSA-N 343.358 2.556 30 40 EFEB C=CCN(CCc1ccccc1)C(=O)c1cccc(S(C)(=O)=O)c1 58182949 HOKCZFPDSVMBMN-UHFFFAOYSA-N 343.448 2.961 30 40 EFEB Cc1c(-c2ccncc2)n[nH]c1NC(=O)COc1ccc(C#N)cc1 58228374 ISJUEQRCDQFROJ-UHFFFAOYSA-N 333.351 2.669 30 40 EFEB Cc1ccc(C)c(OC2CCN(CC(=O)N(C)CCC#N)CC2)c1 58281592 SHRRCOWDRHVXKK-UHFFFAOYSA-N 329.444 2.519 30 40 EFEB C[C@H]1CCc2c(sc3ncnc(OCC(=O)N(C)CCC#N)c23)C1 3247787 XJUJDZZSHQKNGY-NSHDSACASA-N 344.440 2.567 30 40 EFEB COc1ccc(-c2nn(-c3ccccc3)cc2C(=O)NO)cc1OC 12631006 UZOZPNAPNJRXHK-UHFFFAOYSA-N 339.351 2.676 30 40 EFEB Cc1nn(C)c(C)c1S(=O)(=O)/N=C(\O)C1(c2ccccc2)CCC1 48534526 UHJPAMWWHIWVKL-UHFFFAOYSA-N 347.440 2.804 30 40 EFEB C=CCSCC(=O)NCc1cn2cc(Br)ccc2n1 48817176 YEUNWAJKIIVNTI-UHFFFAOYSA-N 340.246 2.632 30 40 EFEB N#Cc1ccc(-c2nnc(CN3CCC(CCCO)CC3)o2)cc1 96007916 BUDNGIYVMHNNGV-UHFFFAOYSA-N 326.400 2.593 30 40 EFEB N#Cc1ccccc1CSCCNc1nnnn1-c1ccccc1 9513299 PWTNOQQDJLPJJK-UHFFFAOYSA-N 336.424 2.879 30 40 EFEB Cc1nnc(SCC(=O)N(C)Cc2ccccc2F)c(C#N)c1C 97080558 VVBGYYDFISQXHK-UHFFFAOYSA-N 344.415 2.855 30 40 EFEB C[C@@H]1CN(C)CCN1C(=O)c1occc1COc1cccc(C#N)c1 89938276 BBVZNVSIYQUSOL-CQSZACIVSA-N 339.395 2.506 30 40 EFEB N#Cc1cnn(-c2cccc(C(=O)N[C@H]3CCc4ccccc43)c2)c1N 95395196 QRPJLDZCLBTOMI-SFHVURJKSA-N 343.390 2.743 30 40 EFEB COc1cc(/C=C2\SC(=O)N(C)C2=O)cc(Cl)c1OCC#N 408809031 HBUMODSJLYSOSR-XFFZJAGNSA-N 338.772 2.917 30 40 EFEB N#Cc1cc(NC(=O)C[C@H]2C=CCC2)ccc1N1CCC(O)CC1 75180843 DTMPQNREFWAMHD-AWEZNQCLSA-N 325.412 2.814 30 40 EFEB Cc1cc(C=NN2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)c(C)n1C(C)C 409404535 DPLOOXUVBYXECN-NXNVCVFFSA-N 325.412 2.827 30 40 EFEB CCc1ccc([C@@H]2[C@@H](S(=O)(=O)c3ccccc3)[C@]2(C#N)CO)cc1 218376472 SQRPMXADNHPHRZ-GUDVDZBRSA-N 341.432 2.691 30 40 EFEB Cc1ccc(S(=O)(=O)/N=C(\O)CN(C)C(=O)OC(C)(C)C)s1 78665022 RNWHBQOZFILRIA-UHFFFAOYSA-N 348.446 2.569 30 40 EFEB CN(C)CCN(Cc1ccco1)C(=O)Nc1ccc(F)cc1C#N 88393246 VHSZOPAUHJFAHY-UHFFFAOYSA-N 330.363 2.886 30 40 EFEB C#CCOC(=O)c1cc(NC(=O)C(F)(F)F)ccc1N(CC)CC 226279096 OVTXEEGCFMPPBW-UHFFFAOYSA-N 342.317 2.824 30 40 EFEB C[C@@H](NC(=O)c1cn(C)nc1C1CCOCC1)c1ccc(C#N)cc1 591698632 DBNRIZVZYKOBSW-CYBMUJFWSA-N 338.411 2.677 30 40 EFEB C[C@@H](O)CN(CC(=O)N(C)C1(C#N)CCCCC1)c1ccccc1 58315269 NXNUPSJEWWYOGU-MRXNPFEDSA-N 329.444 2.559 30 40 EFEB CO[C@H](C)/C(O)=N/S(=O)(=O)c1ccc(F)cc1C(F)(F)F 69900514 IFUIUJCLSSFBBK-ZCFIWIBFSA-N 329.271 2.525 30 40 EFEB CCN(CC)CCC[C@H](C)NC(=S)N/N=C(\C)c1ccccn1 17107797 JDELQHHBOGXZLZ-SPPQWUQUSA-N 335.521 2.780 30 40 EFEB C=CCN1CCC[C@@]12CCCN(C(=O)c1nc3ccccn3c1C)C2 1565554409 QKSGNNGPNSKUNS-HXUWFJFHSA-N 338.455 2.899 30 40 EFEB COc1cccc(NC(=O)[C@H]2CCCN2/C=C/C(=O)C(F)(F)F)c1 4119688 YIGKSIGLAZMKCU-BUUCAEBMSA-N 342.317 2.743 30 40 EFEB O=C(COc1ccc(/C=N/c2ccc(F)cc2)cc1)N1CCOCC1 100371855 DANXQNSTXUJFSB-FYJGNVAPSA-N 342.370 2.814 30 40 EFEB C[C@H](Oc1cccc(C#N)c1)C(=O)[C@H](C#N)c1nnc2n1CCCCC2 58282382 DGYNOALWNQTWGY-BBRMVZONSA-N 349.394 2.520 30 40 EFEB N#C[C@@H](C(=O)OC[C@@H]1CCCO1)c1nc2ccccc2nc1Cl 5031682 PZCADNSSDJVFRU-WDEREUQCSA-N 331.759 2.613 30 40 EFEB COCc1cc(C)nc(N/N=C/c2ccccc2[N+](=O)[O-])c1C#N 4455839 ZYBLGXRHGBBWHQ-GIJQJNRQSA-N 325.328 2.762 30 40 EFEB C=CCN(CC(=O)Nc1cccc(F)c1)S(=O)(=O)c1ccccc1 14109606 TYQFFGQVGZUMOV-UHFFFAOYSA-N 348.399 2.641 30 40 EFEB FC(F)(F)c1ccccc1/C=N/NC(=S)NC[C@@H]1CCCO1 6685461 JRFPRXXQMBRZGN-NPLBWUPPSA-N 331.363 2.682 30 40 EFEB Cc1cc(C)[nH]/c(=N\N=C\C2=C(O)C[C@@H](c3ccccc3)CC2=O)n1 18209052 FQQPRJXWIHJAJR-PZUDMAOCSA-N 336.395 2.872 30 40 EFEB C=CCNC(=O)c1cccn1C1CCN(C(=O)OC(C)(C)C)CC1 67245680 HDOMHAALXCFUNL-UHFFFAOYSA-N 333.432 2.976 30 40 EFEB Cc1ccc2nc(C3=C(N)N(c4ccc(N(C)C)cc4)CC3=O)[nH]c2c1 8845066 HMYQDDDVSQHWCC-UHFFFAOYSA-N 347.422 2.654 30 40 EFEB N#Cc1cccc(NC(=O)NCCc2csc(N3CCCC3)n2)c1 71908655 RVAIJWOEXOJTDH-UHFFFAOYSA-N 341.440 2.979 30 40 EFEB Cc1cccc(C)c1NS(=O)(=O)c1ccc(NC(=O)CC#N)cc1 95470243 ZIBOSSSKCNKELG-UHFFFAOYSA-N 343.408 2.956 30 40 EFEB N#Cc1ccccc1/C=C/C(=O)N1CCC(c2nnc3n2CCC3)CC1 95954301 VTNMKTAUJUHXBO-BQYQJAHWSA-N 347.422 2.515 30 40 EFEB C=CCNC(=O)[C@@H](Cc1ccccc1)NC(=O)OCc1ccccc1 22896778 JIQOVYYJASQZJV-GOSISDBHSA-N 338.407 2.826 30 40 EFEB N#C[C@]1(C=O)[C@@H](S(=O)(=O)c2ccccc2)[C@@H]1c1ccc(Cl)cc1 218488249 OKCXJLPUBDQSNT-YESZJQIVSA-N 345.807 2.989 30 40 EFEB C=CC[C@@H](C)NC(=O)Nc1ccc(CN=[S@](C)(=O)N(C)C)cc1 1616039145 WOZUKDSVXWTPJM-ZLOXQWCVSA-N 338.477 2.847 30 40 EFEB NS(=O)(=O)c1ccc(/N=C/c2cc([N+](=O)[O-])ccc2Cl)cc1 314657 PEJNTPNBRJEMTR-LZYBPNLTSA-N 339.760 2.646 30 40 EFEB CCOC(=O)C(=O)/C(=N/Nc1ccccc1)C(=O)c1cccs1 2557523 JFBYLNDVWHLQJS-QGOAFFKASA-N 330.365 2.531 30 40 EFEB Cc1nn(CN(CCC#N)CCC#N)c(=S)n1-c1ccccc1 21321069 BIGAKPWGHIWMAB-UHFFFAOYSA-N 326.429 2.799 30 40 EFEB Cc1c(C(=O)N(C)C2CCN(C)CC2)oc2c1/C(=N\O)CC(C)(C)C2 100931468 UCSDTKMBPSUYEE-ZHZULCJRSA-N 347.459 2.905 30 40 EFEB CN(Cc1ccccc1)C[C@@H](C#N)[C@@H](O)c1ccc([N+](=O)[O-])cc1 106176477 KJGIXGGJUXKFTJ-AEFFLSMTSA-N 325.368 2.900 30 40 EFEB N#Cc1ccc(NC2CCN(C(=O)CCc3ccccc3)CC2)nc1 48300464 HYRCAHSEGAOZBW-UHFFFAOYSA-N 334.423 2.989 30 40 EFEB C=CCOc1ccc(Br)cc1/C=N/n1cnnc1S 408820606 XGQMPSDKIVOPCZ-VIZOYTHASA-N 339.218 2.776 30 40 EFEB CSc1nc(O)c(C(=O)N(Cc2ccco2)C2CC2)cc1C#N 70007057 NXSJEZPROGRVJU-UHFFFAOYSA-N 329.381 2.779 30 40 EFEB CC(C)(C)OC(=O)N1CCC[C@H](CNC(=O)c2cccc(C#N)c2)C1 69351046 FRQNRNHIHFYJHR-OAHLLOKOSA-N 343.427 2.935 30 40 EFEB C=CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCCC 4066681 OGYLETPHJYKUOK-INIZCTEOSA-N 346.452 2.997 30 40 EFEB Cc1ccc(S(=O)(=O)/N=C(\O)[C@@H](C)OC[C@@H]2CCCCO2)cc1 64099421 KGGPXAKPRCVKJX-KGLIPLIRSA-N 341.429 2.614 30 40 EFEB CCc1nn(-c2cc(Nc3c(F)cccc3F)ncn2)c(N)c1C#N 8715302 SEFBDCUNZXYCKU-UHFFFAOYSA-N 341.325 2.700 30 40 EFEB O=C1C[C@@H](c2ccco2)CC2=C1[C@@H](c1cccc(O)c1)n1ncnc1N2 9484268 SDWXIVZXZNLMEG-KPZWWZAWSA-N 348.362 2.992 30 40 EFEB Cc1ccsc1-c1n[nH]c(/N=C(\O)CNC(=O)c2ccccc2)n1 71795717 BDEYOADFNOVJII-UHFFFAOYSA-N 341.396 2.860 30 40 EFEB COc1cccc(CCCNS(=O)(=O)Cc2cccc(C#N)c2)c1 71888404 LDKDAPFUWKYBEY-UHFFFAOYSA-N 344.436 2.619 30 40 EFEB Cc1ccc(NC(=O)CCNc2ccc([N+](=O)[O-])c(C#N)c2)nc1 97144720 XIFCBPCFVFEKCO-UHFFFAOYSA-N 325.328 2.611 30 40 EFEB Cc1cc(C#N)ccc1N(C(=O)COc1c(C)nn(C)c1C)C1CC1 97227773 QDEYSUYYVWRJHI-UHFFFAOYSA-N 338.411 2.791 30 40 EFEB N#Cc1ccc([C@H](NCCc2nc3ccccc3s2)C(N)=O)cc1 78967244 CMLQQAVNIFSFPN-KRWDZBQOSA-N 336.420 2.527 30 40 EFEB C[C@@H]1O[C@H](C)[C@H](C(=O)N2CCC[C@](C#N)(c3ccccn3)C2)[C@H]1C 529521743 ZTTRCUDJADTTHT-CDSLXBQBSA-N 327.428 2.525 30 40 EFEB N#Cc1cc(F)ccc1CN1CCC[C@H]1C(=O)Nc1nccs1 79311652 UAXLWOQXUBAAAV-AWEZNQCLSA-N 330.388 2.757 30 40 EFEB CO[C@@H](CS(=O)(=O)Nc1cc(C#N)ccc1F)C1CCCC1 585129149 ZEANYYVZOUNQSS-HNNXBMFYSA-N 326.393 2.644 30 40 EFEB C[C@@H](CC#Cc1cccnc1)OC(=O)CN1CCCCCCC1=O 585136110 QTNLIVSMYSYJNX-INIZCTEOSA-N 328.412 2.548 30 40 EFEB C[C@@H](c1nc(C2CC2)no1)N1CCN(Cc2cccc(C#N)c2)CC1 69386636 ADRJSHKKMBPIIB-AWEZNQCLSA-N 337.427 2.697 30 40 EFEB N#Cc1ccc(NC(=O)N[C@@H](Cc2ccccc2)C(=O)NC2CC2)cc1 69701595 AUVWJTRGBPBJFJ-SFHVURJKSA-N 348.406 2.570 30 40 EFEB Cc1nn(-c2cc(N(C)C[C@@H](C)C#N)ncn2)c(C)c1Br 1615613434 VDLSHWBXLQAWQE-VIFPVBQESA-N 349.236 2.638 30 40 EFEB CC/N=C1/S[C@@H](CC(=O)Nc2ccc(C(C)=O)cc2)C(=O)N1CC 13471211 XAAPWLPKAVIJAU-YWMAMYRUSA-N 347.440 2.558 30 40 EFEB C=CC[C@H](NCCCN1CCOCC1)c1ccc(OC)c(OC)c1 20130076 ZLTZFPJCRHMIIA-KRWDZBQOSA-N 334.460 2.633 30 40 EFEB Cc1cc(C)c(NC(=O)CSc2nc(=O)[nH]c(C)c2C#N)c(C)c1 32776365 HCKUEAZQUWHKAA-UHFFFAOYSA-N 342.424 2.606 30 40 EFEB COc1ccc(OC)c([C@H](C)NS(=O)(=O)c2cccc(C#N)c2)c1 8059122 LLTAPTFPXUGKBO-LBPRGKRZSA-N 346.408 2.615 30 40 EFEB COc1cc(CC/N=C\c2ccccc2O)c([N+](=O)[O-])cc1OC 104220543 RSXJVGBHRBQFFH-WQRHYEAKSA-N 330.340 2.979 30 40 EFEB Cc1nn(C)c(C)c1CC(=O)NCC#Cc1cccc(C(F)(F)F)c1 22976047 PLKQEBXIOWLHOV-UHFFFAOYSA-N 349.356 2.766 30 40 EFEB O=S(=O)(/N=C(\O)C1CCCC1)c1ccc2c(c1)OCCCO2 42338947 ZWAXWSNCQFOTPH-UHFFFAOYSA-N 325.386 2.683 30 40 EFEB CC(=O)N1CCN(c2cccc3sc(NN=C(C)C)nc23)CC1 57327924 DWPGRVDSLAVWPN-UHFFFAOYSA-N 331.445 2.773 30 40 EFEB Cc1noc(C)c1S(=O)(=O)/N=C(O)/C=C/c1cccc(C#N)c1 48491355 LTVRRUCGKLGKGZ-VOTSOKGWSA-N 331.353 2.522 30 40 EFEB CC(=O)Oc1cccc(/C=N/Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1 408754340 MTZIKMMQOQZOFG-CXUHLZMHSA-N 344.283 2.874 30 40 EFEB C=CCSc1nc2cc(S(N)(=O)=O)ccc2n1CCCC 5268714 LUDZGLPKGAOWAC-UHFFFAOYSA-N 325.459 2.762 30 40 EFEB N#Cc1ccc(NCCc2n[nH]c(=S)n2C2CC2)c([N+](=O)[O-])c1 69813626 ARWNDEUOPHORQT-UHFFFAOYSA-N 330.373 2.710 30 40 EFEB COCCN1C(=O)C(O)=C(C(=O)c2ccco2)[C@@H]1c1ccccc1 9271500 MCTMCRSYTMQRGS-HNNXBMFYSA-N 327.336 2.504 30 40 EFEB N#Cc1ccc(F)c(CNC(=O)NCc2ccccc2-n2cccn2)c1 89813968 KOKKKUDYJZILLD-UHFFFAOYSA-N 349.369 2.882 30 40 EFEB N#Cc1cnc(N2CCN(C(=O)Oc3ccccc3)CC2)c(Cl)c1 95397322 LOTSGUUBOWURHG-UHFFFAOYSA-N 342.786 2.928 30 40 EFEB C=CCNC(=O)C1(Cc2cccc(-c3cccnc3)c2)CCNCC1 77010799 JBBIWHIWHFOEQR-UHFFFAOYSA-N 335.451 2.963 30 40 EFEB N#CC1(C(=O)N2CCc3c(ncn3CCc3ccccc3)C2)CCC1 95986995 SUUJEQLILXMYSR-UHFFFAOYSA-N 334.423 2.704 30 40 EFEB COc1cccc([C@@H](NC(=O)CC#N)c2cc(F)ccc2OC)c1 97097324 WDWJWBHBQVJHLP-GOSISDBHSA-N 328.343 2.962 30 40 EFEB CO[C@H](C)c1nc(CN2CCN(Cc3ccc(C#N)o3)CC2)cs1 96490104 JIVCCONHDAMUJY-CYBMUJFWSA-N 346.456 2.633 30 40 EFEB CN1CCN(c2nc3ncccc3cc2C#N)C[C@@H]1Cc1ccccc1 596226856 SVBJWBJHNQPVLC-IBGZPJMESA-N 343.434 2.865 30 40 EFEB N#Cc1cccc(S(=O)(=O)NC2(c3ccccc3)CCOCC2)c1 69779638 KYPQCMYEMLGWHR-UHFFFAOYSA-N 342.420 2.542 30 40 EFEB CS[C@@H]1CN(c2cc(C#N)cc([N+](=O)[O-])c2C)C[C@@H]1N1CCCC1 97163724 SMLYHJGGVQEOJU-DLBZAZTESA-N 346.456 2.791 30 40 EFEB Cc1cc(C)cc(N(CCC#N)C(=O)COC(=O)c2ccccn2)c1 5692821 IMBSHJXCDGEKEG-UHFFFAOYSA-N 337.379 2.802 30 40 EFEB C/C(=N\OCC(=O)N1CCc2ccccc21)c1ccc2c(c1)OCO2 20900312 AJILYCBSEXKFQE-DEDYPNTBSA-N 338.363 2.745 30 40 EFEB CCCCCCCCSCCSc1nnc2n(N)cnn12 3117167 FNUXISSPZZGEOS-UHFFFAOYSA-N 328.511 2.825 30 40 EFEB COC(=O)C1=C(C)Nc2sc(C#N)c(N)c2[C@H]1c1ccncc1 9341226 YGRBIADPUPPQEV-LBPRGKRZSA-N 326.381 2.601 30 40 EFEB N#Cc1cccc(C(=O)Nc2ccc(S(=O)(=O)C(F)F)cc2)c1 3553921 GNHCNLUYYNDGID-UHFFFAOYSA-N 336.319 2.807 30 40 EFEB CCCOc1ccc([C@H]2C(C(C)=O)=C(C)Nc3ncnn32)cc1OC 4342113 LXHYRPAVWLGILJ-KRWDZBQOSA-N 342.399 2.953 30 40 EFEB CCCc1noc([C@H](C)N2CCN(c3cccc(F)c3C#N)CC2)n1 29860522 YTDQOLQFBFCWBK-ZDUSSCGKSA-N 343.406 2.916 30 40 EFEB N#Cc1c(O)nc(SCC(=O)OC2CCCC2)nc1-c1ccco1 33325299 HQJGJNYADHUTEI-UHFFFAOYSA-N 345.380 2.892 30 40 EFEB C=C(Br)CNC(=O)Nc1ccc(OCCOC)c(F)c1 49300953 IFAUXNCDJKJKJV-UHFFFAOYSA-N 347.184 2.881 30 40 EFEB COc1cc(CN(C)CC(=O)N[C@@](C)(C#N)C(C)C)ccc1SC 69419742 GJCGXVBAYBKJTA-SFHVURJKSA-N 349.500 2.903 30 40 EFEB N#CC1(NC(=O)CSc2nc(-c3cccs3)n[nH]2)CCCC1 5018068 BLMTVYUCTGJVHL-UHFFFAOYSA-N 333.442 2.578 30 40 EFEB COc1cccc(NC(=O)c2sc3nc(N)c(C#N)cc3c2N)c1 19809481 WTAVHJHOLDBVGA-UHFFFAOYSA-N 339.380 2.593 30 40 EFEB C[C@H](N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O)c1cncc(F)c1 96500305 AOQLAMMWIONZOD-SCLBCKFNSA-N 338.386 2.939 30 40 EFEB C[C@@H](NCc1ccc(F)c(C#N)c1)c1cccc(NS(C)(=O)=O)c1 119043191 MQTGIFWQEMNPML-GFCCVEGCSA-N 347.415 2.920 30 40 EFEB N/C(=N/OCCCCCCO)c1cccc(CN2CCCCC2)c1 84363208 BMLCQIOLWQNRMD-UHFFFAOYSA-N 333.476 2.862 30 40 EFEB C#CCOc1cc(F)ccc1NC(=O)/C=C/c1ccc(C(N)=O)cc1 78986842 JMIDDQYVTHJNKD-BJMVGYQFSA-N 338.338 2.589 30 40 EFEB CC(C)CN(Cc1ccccc1Br)S(=O)(=O)CC#N 95439821 OZCOCTSNZPLRKA-UHFFFAOYSA-N 345.262 2.760 30 40 EFEB N#Cc1cc(I)cc(C#Cc2ccccn2)c1 71295927 ACOQCNSDOIOLDC-UHFFFAOYSA-N 330.128 2.958 30 40 EFEB CC[C@@H](NS(=O)(=O)c1cccc(F)c1C#N)c1nc(C)cs1 96483429 VVHFRIMAHTVIOO-GFCCVEGCSA-N 339.417 2.892 30 40 EFEB COc1ccccc1OCC#CCNC(=O)CSC1CCCC1 90610325 MEWLJHOXHLYRJE-UHFFFAOYSA-N 333.453 2.869 30 40 EFEB Cc1c(N2CCC(NC(=O)C(C)C)CC2)cc(C#N)cc1[N+](=O)[O-] 48290885 YEOMLDZVGLHIBG-UHFFFAOYSA-N 330.388 2.516 30 40 EFEB COc1ccc(/C(O)=C2\C(=O)C(=O)N[C@@H]2c2ccccc2F)cc1 102588313 PATRCSRJOQQTEV-DPEHCCBOSA-N 327.311 2.544 30 40 EFEB O=C1ON=C(c2cccc([N+](=O)[O-])c2)/C1=C/c1ccc2c(c1)OCO2 12428890 CUSVTLLDOCQKAB-MLPAPPSSSA-N 338.275 2.668 30 40 EFEB biogenic,in-vitro CCC[C@H](C)C1(CC)C(=O)NC(=Nc2cccc(OC)c2)NC1=O 6204850 BRYQSIBPKPQMTM-LBPRGKRZSA-N 331.416 2.761 30 40 EFEB O=S(=O)(/N=C(\O)c1ccc(OCC2CC2)cc1)c1cccnc1 66002908 IDRMPOYZVQLJNG-UHFFFAOYSA-N 332.381 2.564 30 40 EFEB CC(=O)N(c1nn(CN(CCC#N)C2CC2)c(=S)s1)C1CC1 69921413 QOVBOHRJDYKPIV-UHFFFAOYSA-N 337.474 2.525 30 40 EFEB CC1(C)CC[S@](=O)c2ccc(C#Cc3ccc(C(=O)O)cn3)cc21 77313272 SMCJVZRFBIOWHW-XMMPIXPASA-N 339.416 2.969 30 40 EFEB in-vitro Cn1ccnc1N1CCC(/N=C(/O)c2cccc3cnccc23)CC1 328718319 FSKWKMAQOTWMEX-UHFFFAOYSA-N 335.411 2.942 30 40 EFEB N#Cc1nccnc1O[C@@H]1CCCN(C(=O)c2cc3ccccc3[nH]2)C1 225479193 WMABBDJVWGTBHU-CQSZACIVSA-N 347.378 2.513 30 40 EFEB C/N=C(/NCCC1=CCOCC1)NCc1coc(-c2ccccc2)n1 96484224 ZVGQXFKSAQPNMQ-UHFFFAOYSA-N 340.427 2.743 30 40 EFEB CCc1c(C)sc(NC(=O)c2cccc(-n3cnnn3)c2)c1C#N 68678009 LRXSTLCNIGRSCC-UHFFFAOYSA-N 338.396 2.719 30 40 EFEB C#CCCC1(CCC(=O)N[C@](C)(C(=O)O)c2cc(F)ccc2F)N=N1 1616030710 FACCURASERTPBQ-INIZCTEOSA-N 349.337 2.737 30 40 EFEB N#Cc1ccccc1NC(=O)CSc1nnc(Cc2ccccc2)[nH]1 14152568 NNOBAKXWELMKBQ-UHFFFAOYSA-N 349.419 2.998 30 40 EFEB Cc1nc(C2CC2)nc(N2CCN(c3ccc(C#N)cn3)CC2)c1C 1888842961 RUMSXZYVXDDYJA-UHFFFAOYSA-N 334.427 2.564 30 40 EFEB COC(=O)N1CCc2c(sc(NC(=O)c3ccco3)c2C#N)C1 5255521 GRDLYOOLSWKCPN-UHFFFAOYSA-N 331.353 2.590 30 40 EFEB CCC(=O)N1CC[C@H](NCc2ccc(OC)c(C#N)c2)[C@H](CC)C1 89948877 XZZNEXUEJKZSQE-WBVHZDCISA-N 329.444 2.694 30 40 EFEB C=CCN1C(=O)/C(=N/N=C/c2ccc(OC)c(O)c2)c2ccccc21 2637706 HJBGGTXOFMADHO-HMGLBJTLSA-N 335.363 2.757 30 40 EFEB CN1CCN(CCCNC2CCC(C#N)(c3ccccc3)CC2)CC1 22814791 DLWGZACZMLSFGA-UHFFFAOYSA-N 340.515 2.618 30 40 EFEB CCCNC(=O)[C@H]1CN(Cc2ccc(C#N)cc2)c2ccccc2O1 12533765 ZEDOBZQRQWSIHQ-LJQANCHMSA-N 335.407 2.852 30 40 EFEB N#Cc1nc(C2CC2)oc1N1CCN(Cc2cccc(F)c2)CC1 43830458 KRKRIENKQZRTAG-UHFFFAOYSA-N 326.375 2.885 30 40 EFEB Cc1ccc(-c2nc(SCC(=O)OC(C)C)[nH]c(=O)c2C#N)cc1 5238331 KLHFOPBJPWLNMS-UHFFFAOYSA-N 343.408 2.661 30 40 EFEB N#Cc1cccc(OCC(=O)N2CCC[C@H]2c2noc(C3CC3)n2)c1 84374554 ZNKVWCZRLHKGTA-HNNXBMFYSA-N 338.367 2.561 30 40 EFEB N#Cc1nccnc1N1CCN(Cc2cccc(C(F)(F)F)c2)CC1 78979666 IZWBMLZHUUDCMS-UHFFFAOYSA-N 347.344 2.689 30 40 EFEB C=CCNc1ccc(S(=O)(=O)NC2CCCCC2)cc1C(=O)O 217578870 XTDQYUYAOCPSSQ-UHFFFAOYSA-N 338.429 2.594 30 40 EFEB C=CCN1C[C@@H]2CN(Cc3ccco3)CCC[C@]2(C(=O)OCC)C1 96055968 YYOZCXBIGADONR-LPHOPBHVSA-N 332.444 2.543 30 40 EFEB N#Cc1cccc(N[C@H]2CO[C@@]3(CCCN(Cc4cccnc4)C3)C2)n1 96048318 WXLMDHRJKZPTAJ-QUCCMNQESA-N 349.438 2.584 30 40 EFEB C[C@]1(C#N)CCCN(C(=O)N[C@H](C[C@@H]2CCCO2)C(F)(F)F)C1 594174050 JNHGOXAWEUPRPL-OUCADQQQSA-N 333.354 2.822 30 40 EFEB CCn1cc(S(=O)(=O)/N=C(\O)c2cccc(-c3ccoc3)c2)cn1 89981037 ICMSLWAIYCNPQY-UHFFFAOYSA-N 345.380 2.857 30 40 EFEB N#Cc1cc([N+](=O)[O-])ccc1N[C@@H](CO)Cc1c[nH]c2ccccc12 75146932 OYQQBLUMJOOEIC-CQSZACIVSA-N 336.351 2.963 30 40 EFEB N#Cc1ccnc(N2CC[C@@H](Oc3ccncc3Br)C2)c1 1776008738 OJMPTSOKWRAWEQ-GFCCVEGCSA-N 345.200 2.768 30 40 EFEB C=CCN1C(=O)/C(=C\c2ccc(OC)c(OC)c2)C(C(=O)OC)=C1C 120662 LDPOLMJBMYOCME-UVTDQMKNSA-N 343.379 2.562 30 40 EFEB C=C(C)C[C@H]1N(c2ccccc2C)C(=O)[C@H]2[C@@H](C(=O)O)[C@H]3C=C[C@@]21O3 100634723 INFSPPRSFZBLBY-XDCWJTEKSA-N 339.391 2.701 30 40 EFEB C=CCn1ncc(CN2[C@H]3CC[C@H]2c2cnc4cc(C)nn4c2C3)c1C 100141087 XFQKICOBUAJGBL-WMZOPIPTSA-N 348.454 2.990 30 40 EFEB COc1cc(CN(C)CC(=O)NC2(C#N)CCCC2)ccc1SC 58369274 YNTYSFRQFASBPX-UHFFFAOYSA-N 347.484 2.801 30 40 EFEB CC(C)Nc1nnc(S[C@@H](C)C(=O)N[C@](C)(C#N)C(C)C)s1 3407115 CTQRSVIJSNPLMF-IINYFYTJSA-N 341.506 2.893 30 40 EFEB C=CCNC(=O)c1ccc([C@@H]2SCC(=O)N2Cc2ccco2)cc1 5000690 UTFPYFQTMUNJSN-SFHVURJKSA-N 342.420 2.970 30 40 EFEB N#CCc1ccc(OC[C@@H](O)CN2CC[C@H](c3ccccc3)C2)cc1 65511872 BQXAJIIJNFCSFP-PMACEKPBSA-N 336.435 2.982 30 40 EFEB Cc1cc(C)c(C#N)c(S[C@H](C)C(=O)NC(=O)NCC(C)C)n1 14131395 KJPZINGJOJLISM-GFCCVEGCSA-N 334.445 2.533 30 40 EFEB N#Cc1ccc(/N=c2\oc3ccc([N+](=O)[O-])cc3cc2C(N)=O)cc1 17130833 MHFINVWIDPVGJM-JZJYNLBNSA-N 334.291 2.544 30 40 EFEB C[C@H](Oc1ccc(/C=N/Nc2ccc([N+](=O)[O-])cc2)cc1)C(=O)O 4739395 FOCYWJGXSWIFHQ-MUOOZZNISA-N 329.312 2.893 30 40 EFEB C#CCOc1ccc(CCNCc2cn(C)nc2-c2cccnc2)cc1 69809188 LRRDCVOWKXRZQL-UHFFFAOYSA-N 346.434 2.826 30 40 EFEB CN(CC(=O)Nc1ccc(F)cc1)c1ccc(C#N)cc1[N+](=O)[O-] 8708217 PJHHNOXMFUNCJH-UHFFFAOYSA-N 328.303 2.680 30 40 EFEB N#Cc1cc2c(N)c(C(=O)Nc3ccc(F)cc3)sc2nc1N 18240458 UWDNVRDALGXMAK-UHFFFAOYSA-N 327.344 2.724 30 40 EFEB Cc1ccoc1C(=O)NC1CCN(c2nc3ccccn3c2C#N)CC1 96007344 SIAILLAHZJGAII-UHFFFAOYSA-N 349.394 2.506 30 40 EFEB C=CCOc1ccc(CN[C@H]2CCN(C(=O)C3CC3)C[C@@H]2C)cc1 78898079 XEYKZEDUFODYJM-KXBFYZLASA-N 328.456 2.988 30 40 EFEB C=CCn1c(SCCc2c(C)noc2C)nnc1-c1cnccn1 95975006 RSEUIPYTLXGANX-UHFFFAOYSA-N 342.428 2.861 30 40 EFEB C[C@@H](Cn1ncc2ccccc21)C(=O)NCC#Cc1cccc(F)c1 552590078 UKUAWKWXFNIRSQ-HNNXBMFYSA-N 335.382 2.979 30 40 EFEB O=[N+]([O-])c1ccc(/C=N/c2ccc(N3CCOCC3)cc2)cc1O 34799302 BMBMODXLXKRKJF-LDADJPATSA-N 327.340 2.888 30 40 EFEB COc1ccc(S(=O)(=O)/N=C(\O)CC[C@H]2CCCCO2)cc1C 78984661 VDSJATOUKNPCQC-CYBMUJFWSA-N 341.429 2.998 30 40 EFEB Cc1nn(C)c(F)c1/C=N/Nc1nc(C2CC2)cc(C(F)(F)F)n1 252495181 OMRVQPCFVHYPGY-KPSZGOFPSA-N 342.300 3.000 30 40 EFEB CC(C)[C@](C)(C#N)NC(=O)CN(C)Cc1c(F)cccc1Cl 57863859 VJCQXRAIKLUINB-INIZCTEOSA-N 325.815 2.965 30 40 EFEB C=CCn1nnnc1SCC(=O)c1ccc(Br)cc1 4262835 FTMGFPNWMAXMLO-UHFFFAOYSA-N 339.218 2.597 30 40 EFEB CC(C)[C@@](C)(C#N)NC(=O)CN[C@H](c1ccccc1)c1ccccn1 32832942 OZAWKABORSBBDH-WOJBJXKFSA-N 336.439 2.815 30 40 EFEB CCOC(=O)/C(=N\Nc1ccccc1[N+](=O)[O-])C(=O)c1ccccc1 100206199 TYOWUDFCMYATMT-CYVLTUHYSA-N 341.323 2.809 30 40 EFEB Cc1sc2ncc(C(=O)Nc3ccc(CC#N)cc3)c(=O)n2c1C 179587431 WSZZEBZLNFPXDX-UHFFFAOYSA-N 338.392 2.691 30 40 EFEB N#C[C@H](NC(=O)c1ccc(-n2ccnc2)nc1)c1ccc(F)cc1F 68419242 UBWPPOOIUVNHBE-HNNXBMFYSA-N 339.305 2.540 30 40 EFEB N#Cc1ccc(CCC(=O)Nc2cc(C(F)(F)F)c[nH]c2=O)cc1 47553259 XVTYBXFRILRKFI-UHFFFAOYSA-N 335.285 2.837 30 40 EFEB Cc1cc(=O)c(C(=O)OCc2ccccc2C#N)nn1-c1ccccc1 25850415 QENKKPGFVGZJLG-UHFFFAOYSA-N 345.358 2.770 30 40 EFEB N#Cc1ccc(Cn2nc(Br)nc2Br)cc1 67799209 NWYZHUHTHFXXFA-UHFFFAOYSA-N 341.994 2.723 30 40 EFEB N#CCc1ccc(NC(=O)CCCNC(=O)c2ccsc2)cc1 12795506 DNCBDWSAIJMFSH-UHFFFAOYSA-N 327.409 2.963 30 40 EFEB N#CCc1ccc(OC[C@@H](O)CN2CC[C@@H](c3ccccc3)C2)cc1 65511869 BQXAJIIJNFCSFP-UXHICEINSA-N 336.435 2.982 30 40 EFEB N#Cc1cccc(S(=O)(=O)NCc2ccccc2OC(F)F)c1 14166788 WISLBJMVHYTREW-UHFFFAOYSA-N 338.335 2.638 30 40 EFEB CCOC(=O)c1sc(NC(=O)c2ccc([N+](=O)[O-])o2)c(C#N)c1C 4537682 MYDKFACJHQZOGY-UHFFFAOYSA-N 349.324 2.858 30 40 EFEB CCSc1ccc(C(=O)NC2(C#N)CCC3(CC2)OCCO3)cn1 69977264 IOVPHOWKTQEXSO-UHFFFAOYSA-N 347.440 2.503 30 40 EFEB N#Cc1cccc(OCCCCC(=O)N[C@@]2(C#N)CCSC2)c1 71896114 SSSQIVVXDZHGQI-QGZVFWFLSA-N 329.425 2.623 30 40 EFEB CCc1nc([C@H](C#N)C(=O)c2cccc(NC(N)=O)c2)sc1C 83817789 AVWLLLVAPCXIOG-GFCCVEGCSA-N 328.397 2.995 30 40 EFEB C=CCN(c1cccc(OC)c1)S(=O)(=O)c1ccccc1[N+](=O)[O-] 224744651 JKUPJHOBURITFB-UHFFFAOYSA-N 348.380 2.985 30 40 EFEB Cc1ccc(C/C(O)=N/S(=O)(=O)c2cnn(-c3ccccc3)c2)o1 95460270 MAMUDGDAMWXPPT-UHFFFAOYSA-N 345.380 2.662 30 40 EFEB Cc1nc(C)c(C(=O)N2CCC(Oc3ncccc3C#N)CC2)s1 96119277 LAUPHYXWLAULAA-UHFFFAOYSA-N 342.424 2.710 30 40 EFEB CN(C)CC1CCC(NC(=O)NCCc2cccc(C#N)c2)CC1 252495726 OXVZZLQMNGTCDS-UHFFFAOYSA-N 328.460 2.520 30 40 EFEB C#CCCCC(=O)Nc1nn(CC(F)(F)F)cc1Br 585087398 XPMDWMOUKRZEHN-UHFFFAOYSA-N 338.127 2.950 30 40 EFEB Cn1cc(C(=O)N[C@H](C#N)c2ccc(OCc3ccccc3)cc2)cn1 69623125 NGILRBFNWJZITA-LJQANCHMSA-N 346.390 2.994 30 40 EFEB CCOC(=O)Cn1ccc2cc(B3OC(C)(C)C(C)(C)O3)ccc21 205613355 DDLYFAALMACORU-UHFFFAOYSA-N 329.205 2.504 30 40 EFEB Cc1ncsc1C(=O)NC1CCN(Cc2ccc(C#N)cc2)CC1 51100505 QDDLMBFAOOEXIV-UHFFFAOYSA-N 340.452 2.718 30 40 EFEB Cc1cc(C(=O)OCC(=O)N(CCC#N)c2cccc(Cl)c2)on1 36712828 RINPCQOKOXARBE-UHFFFAOYSA-N 347.758 2.740 30 40 EFEB C[C@@H](CN(C)C)C(=O)C(=Cc1ccccc1)C(=O)[C@H](C)CN(C)C 1587251 YUCPANIBZSZJSW-IYBDPMFKSA-N 330.472 2.604 30 40 EFEB CC(=O)[C@]1(O)CC[C@H]2[C@@H]3C[C@@H](O)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 2557339 BDQPONLPDKZVNG-USANHHIESA-N 346.467 2.809 30 40 EFEB COc1ccc(NC(=O)CN(C)c2ccc([N+](=O)[O-])cc2C#N)cc1 6250314 CCQAVXRXWYCCEB-UHFFFAOYSA-N 340.339 2.550 30 40 EFEB COc1ccc([C@H]2O[C@]3(C)OC(=N)[C@]2(C#N)C(C#N)(C#N)[C@H]3C)cc1 101027576 KNBJGGAZDRQYCX-KHXXDLOKSA-N 336.351 2.670 30 40 EFEB COCCOC(=O)/C(OC1=CC(=O)C[C@@H](c2ccco2)C1)=C(/C)O 101139032 MZWLWWJHOZRGOP-PILJQMSFSA-N 336.340 2.606 30 40 EFEB C[C@@H](OC(=O)c1ccccc1O)C(=O)N(C)C1(C#N)CCCCC1 12567189 PFWMPQKUJVZVNC-CYBMUJFWSA-N 330.384 2.622 30 40 EFEB N#Cc1cccc(NC(=O)COC(=O)c2cccc(OC(F)F)c2)c1 3232960 FBXSEWMHTURTIK-UHFFFAOYSA-N 346.289 2.955 30 40 EFEB Cc1cccc(C(=O)O/N=C(\N)Cn2nc(C(F)(F)F)cc2C)c1 36612153 SCCHFXUMXFBURQ-UHFFFAOYSA-N 340.305 2.648 30 40 EFEB CCOC(=O)C1=C(C)NC(=O)[C@H](C#N)[C@@H]1c1ccc(SC)cc1 4770793 YPAJFSODZRYGEU-HIFRSBDPSA-N 330.409 2.599 30 40 EFEB COc1cc(C#N)ccc1OCC(=O)N1CC[C@H]2CCCC[C@@H]2C1 7017267 SXTLVHGZOIWAHI-HZPDHXFCSA-N 328.412 2.984 30 40 EFEB C#CCNC(=O)CSc1ncnc2sc3c(c12)CC[C@@H](C)C3 7329036 NVEIMLHALIWFRI-SNVBAGLBSA-N 331.466 2.658 30 40 EFEB CNc1ccc([N+](=O)[O-])cc1C(=O)OCCOc1ccc(C#N)cc1 16282610 YZRRFEHRPFOLCZ-UHFFFAOYSA-N 341.323 2.744 30 40 EFEB C[C@H]1CN(Cc2ccccc2)CC[C@@H]1N(C)C(=O)c1ccc(C#N)cn1 71914813 UODKKROABKMJAK-JXFKEZNVSA-N 348.450 2.936 30 40 EFEB COc1ccc([C@H](C#N)NC(=O)C[C@@H](C)n2cccc2)c(OC)c1 95398015 RRNNWJNGZBXPJQ-CJNGLKHVSA-N 327.384 2.837 30 40 EFEB Cn1cnc2cc(C(=O)[C@H](C#N)c3nc4ccccc4n3C)ccc21 95456243 HIQWLWHQCUISCY-ZDUSSCGKSA-N 329.363 2.950 30 40 EFEB N#Cc1c(F)cccc1N1CCN(Cc2ccc3c(c2)OCO3)CC1 55231304 QRLFRJXIMHCVKR-UHFFFAOYSA-N 339.370 2.748 30 40 EFEB C[C@H](COc1ccc(F)cc1)NS(=O)(=O)c1ccc(CC#N)cc1 80728995 MJHQEDALYFAGNW-CYBMUJFWSA-N 348.399 2.638 30 40 EFEB CCc1cnc(N2CC[C@]3(CC(=O)N(c4cccc(C#N)c4)C3)C2)nc1 96238877 JEIWAMCNCCYVLM-FQEVSTJZSA-N 347.422 2.544 30 40 EFEB N#Cc1cccnc1OC1CCN(C(=O)c2cc(C3CC3)on2)CC1 96119297 LPCLRNPAHWLQGA-UHFFFAOYSA-N 338.367 2.502 30 40 EFEB N#CCOc1ccc(CC(=O)NCc2ccccc2-n2cccn2)cc1 96405390 ZWLWNNKLTRHYMR-UHFFFAOYSA-N 346.390 2.634 30 40 EFEB COc1ccc(/C=N\N2CCN(Cc3ccccc3)CC2)cc1OC 13943363 QQOSESNGQIQTDF-QNGOZBTKSA-N 339.439 2.856 30 40 EFEB Cc1cccc([C@@H]2C[C@@H]2C(=O)[C@@H](C#N)C(=O)NCCCOC(C)C)c1 100684145 UMUYVXFOSKOUFD-OKZBNKHCSA-N 342.439 2.739 30 40 EFEB C=CCN1C(=O)/C(=C/c2ccc(Cl)c(Cl)c2)C(=O)NC1=S 4723766 TVYFFHUMHUBDAX-RMKNXTFCSA-N 341.219 2.806 30 40 EFEB N#C[C@H](NC(=O)c1n[nH]c2ccccc12)c1cnn(-c2ccccc2)c1 68398409 HZOAKBJOYIJFQV-KRWDZBQOSA-N 342.362 2.743 30 40 EFEB COc1ccc([C@@H]2CC(=O)NC3=C2C(=O)CC(C)(C)C3)cc1OC 517654 DGUNMASKZLGBBL-LBPRGKRZSA-N 329.396 2.951 30 40 EFEB biogenic O[C@H]1/C(=N\Nc2ccccc2)[C@@H]2OC[C@H](O2)[C@H]1/N=N/c1ccccc1 102314600 XMZFFOLXUKPTHA-NFQNBQJBSA-N 338.367 2.723 30 40 EFEB C=CCNC(=O)[C@@H](C)OC(=O)c1cccnc1Oc1ccccc1 21620851 SULJLAFCLQQXAY-CYBMUJFWSA-N 326.352 2.721 30 40 EFEB CN(CCC(=O)N(CC#N)CC#N)C(c1ccccc1)c1ccccc1 58332817 QEGBLDQYNUPVOS-UHFFFAOYSA-N 346.434 2.974 30 40 EFEB COc1ccc(CN(C(=O)OC(C)(C)C)[C@@H](CS)C(=O)O)cc1 60024715 JNRHFCNVHXAXAM-ZDUSSCGKSA-N 341.429 2.815 30 40 EFEB C[C@H](NS(=O)(=O)N(C)CCC#N)c1ccc(Cl)cc1Cl 12946012 MRANNZWLXXKQMZ-VIFPVBQESA-N 336.244 2.734 30 40 EFEB N#CCCN(C(=O)COC(=O)c1cccc(O)c1)c1ccc(F)cc1 3523522 HFNDTRRJCQXPEH-UHFFFAOYSA-N 342.326 2.635 30 40 EFEB O=C1C2=C(NC(=S)N[C@@H]2c2ccc3c(c2)OCO3)c2ccccc21 4072827 HFNIUYSOKRIOPE-OAHLLOKOSA-N 336.372 2.542 30 40 EFEB C#CCNC(=O)c1ccccc1NC(=O)c1cccc2cccnc12 65490145 FJDCTFJYIWCRCH-UHFFFAOYSA-N 329.359 2.850 30 40 EFEB COC(=O)c1c(/N=C/c2ccccc2O)sc2c1CCN(C)C2 4739510 KDNZGBKVCXETHB-GIJQJNRQSA-N 330.409 2.979 30 40 EFEB CC(C)(C)c1ccc([C@@H](C#N)NC(=O)COC[C@H]2CCCO2)cc1 79095313 FGMVIZKUHFACRZ-IAGOWNOFSA-N 330.428 2.861 30 40 EFEB N#Cc1ccc(CNC(=O)NCCCSc2nccs2)cc1 89787874 NGEAGRBRSZNWFZ-UHFFFAOYSA-N 332.454 2.996 30 40 EFEB CC(=O)O/N=C1C(=C\c2ccccc2OC(C)=O)\N2CCC\1CC2 13756534 IIZBVAFXCYXRCZ-UGZHYMOWSA-N 328.368 2.598 30 40 EFEB COc1ccc(NC(=O)COc2ccc(/C=N\O)cc2OC)cc1 102297185 MFAVAKPAEKHETJ-ZDLGFXPLSA-N 330.340 2.529 30 40 EFEB COc1ccc(C(=O)/C=C2/Nc3cccc([N+](=O)[O-])c3NC2=O)cc1 104238785 QRXUFVIMYBKKKI-UKTHLTGXSA-N 339.307 2.734 30 40 EFEB COc1ccc(OC)c(/C=N/NCc2ccc(OC)c(OC)c2)c1 20195992 ICNBJNBSGSOPFH-UDWIEESQSA-N 330.384 2.845 30 40 EFEB Cc1nc(C)c(C(=O)O[C@@H](C)C(=O)NC2(C#N)CCCCC2)s1 10143510 YAWVMHUEKHTVQX-NSHDSACASA-N 335.429 2.648 30 40 EFEB Cc1nccn1-c1ncccc1NC(=O)COc1ccc(CC#N)cc1 58328050 GASPIFAUOWMEBR-UHFFFAOYSA-N 347.378 2.659 30 40 EFEB C#CCOc1ccc(/C=C2/S/C(=N/C)N(C)C2=O)cc1OCC 408928631 COKQTPDQVLMEGV-KCWKZLLFSA-N 330.409 2.629 30 40 EFEB Cc1cc(C)n(CC(=O)N[C@@H](c2ccccc2)C(C)C)c(=O)c1C#N 12921677 GYKCPGRQYGMGRF-LJQANCHMSA-N 337.423 2.850 30 40 EFEB CCCCCCCCn1c(NN=C(C)C)nc2c1c(=O)[nH]c(=O)n2C 8434958 SVXXOVUPDJQMTI-UHFFFAOYSA-N 348.451 2.592 30 40 EFEB Cc1nccn1[C@@H]1CCCN([C@@H](C)C(=O)NC2(C#N)CCCCC2)C1 69848777 YCVMLBDAGKAGSZ-DOTOQJQBSA-N 343.475 2.560 30 40 EFEB CN/C(=N/Cc1ccc(C)cc1O[C@@H]1CCOC1)NCc1ccco1 97014385 IFHNQDYTRCBZBM-QGZVFWFLSA-N 343.427 2.621 30 40 EFEB COC(=O)[C@H](NCc1ncc(-c2ccc(C#N)cc2)o1)C(C)(C)C 97014743 KRXRWAVIBRWCKT-INIZCTEOSA-N 327.384 2.891 30 40 EFEB CC(C)(C)[C@H](C#N)NC(=O)[C@H]1COc2ccc(Br)cc21 95443250 DGVGHMBNNQZJQW-AAEUAGOBSA-N 337.217 2.980 30 40 EFEB COCc1ccccc1/C(O)=N/S(=O)(=O)c1ccc(F)c(C#N)c1 66736602 IQGUYVDHEQLODE-UHFFFAOYSA-N 348.355 2.537 30 40 EFEB Cn1c(=O)n(C)c2cc(/C=N/Nc3ccc(C(F)(F)F)cn3)ccc21 409103121 ASLCMYYPCFTEAC-ODCIPOBUSA-N 349.316 2.737 30 40 EFEB CC/N=C(/NCc1c(C)noc1C)NC[C@@H]1CCO[C@@H]1C(C)(C)C 95406336 FARYDZNIZZEAAF-HOCLYGCPSA-N 336.480 2.798 30 40 EFEB C[C@@H](CC#N)NC(=O)Nc1ccc(F)cc1I 161772568 OAPCAMXMFXDVRL-ZETCQYMHSA-N 347.131 2.854 30 40 EFEB CN(c1ncc(Cl)cn1)C1CCN(c2ncccc2C#N)CC1 1889083315 PZDICXSXANGYLL-UHFFFAOYSA-N 328.807 2.502 30 40 EFEB N#CC1(NC(=O)CNc2cccc(OC(F)(F)F)c2)CCCC1 40493284 FLXGCZQBRPXJED-UHFFFAOYSA-N 327.306 2.950 30 40 EFEB Cc1nn(Cc2ccc(F)cc2Br)c(=O)c(C#N)c1C 40485467 PLLLIYJFMWMDPY-UHFFFAOYSA-N 336.164 2.682 30 40 EFEB N#C[C@@H](C(=O)NCc1ccccc1)C(=O)c1ccc(Br)o1 100871150 GGOBRZPCVTUCSH-LLVKDONJSA-N 347.168 2.681 30 40 EFEB CC(=O)C1=C(O)[C@H]2[C@H]3c4c[nH]c5cccc(c45)C[C@@H]3C(C)(C)N2C1=O 100151255 SZINUGQCTHLQAZ-AFAVFJNCSA-N 336.391 2.828 30 40 EFEB in-vitro C=CCNC(=O)NC(=O)CN(C1CC1)[C@H](C)c1ccccc1Cl 47257503 WJMHXNODEXOXSK-GFCCVEGCSA-N 335.835 2.877 30 40 EFEB Cc1csc(N2CCN(c3ccc(C#N)cc3[N+](=O)[O-])CC2)n1 24659455 FKHIPFYFAHWLJB-UHFFFAOYSA-N 329.385 2.558 30 40 EFEB CC(C)(C(=O)NCc1cccc(C#N)c1)c1ccc2c(c1)OCCO2 58379022 NWKGMQWMGNJBHI-UHFFFAOYSA-N 336.391 2.923 30 40 EFEB CO[C@@H](C)/C(O)=N/S(=O)(=O)c1ccc(F)c(C(F)(F)F)c1 78796535 DPZKAGVHRKZACQ-LURJTMIESA-N 329.271 2.525 30 40 EFEB CC(C)Cn1cnc(S(=O)(=O)/N=C(\O)Cc2ccccc2F)c1 96008073 BTUIRGKRTPMSTE-UHFFFAOYSA-N 339.392 2.566 30 40 EFEB N#Cc1cc(S(N)(=O)=O)ccc1N[C@@H]1CCc2cc(Cl)ccc21 78904430 TXZRNEDYBNYZJV-MRXNPFEDSA-N 347.827 2.958 30 40 EFEB CNC(=O)COc1ccc(CNc2cc(C#N)c3ccccc3n2)cc1 95398908 ODAGNSGMFWWOML-UHFFFAOYSA-N 346.390 2.843 30 40 EFEB N#Cc1cc(C(=O)N(CC(=O)Nc2ccccc2)Cc2ccco2)c[nH]1 95994797 TVPHTAWETWECHB-UHFFFAOYSA-N 348.362 2.760 30 40 EFEB O=C(/N=C1/NCCS1)[C@@H]1CC(c2ccc(Cl)cc2Cl)=NO1 95953146 DCAXFQSCNNUYEJ-NSHDSACASA-N 344.223 2.705 30 40 EFEB C/C(=N\N=C1/C(=O)Nc2ccccc21)c1cc2ccccc2oc1=O 68601390 SIWPXZLUJROMHB-SRZZPIQSSA-N 331.331 2.958 30 40 EFEB COc1cccc([C@@H]2Nc3nonc3NC3=C2C(=O)CCC3)c1OC 12388834 CMCLCHGFFDMQDM-AWEZNQCLSA-N 342.355 2.673 30 40 EFEB N#Cc1cccc(C(=O)N2CCC[C@H]2c2nnc3n2CCCCC3)c1 40510462 IGDSOGSHTDGFFP-INIZCTEOSA-N 335.411 2.853 30 40 EFEB CCOC(=O)CSc1nc2cc(OC)c(OC)cc2cc1C#N 1355241 FSQGRXJZADXVRA-UHFFFAOYSA-N 332.381 2.779 30 40 EFEB COc1ccccc1C/C(C)=C/C(=O)[C@H](C#N)C(=O)NC1CCCC1 101243593 DATDJLLETAOESD-VSOYFRJCSA-N 340.423 2.952 30 40 EFEB COc1ccc(Cl)cc1-c1ccc(/C=N/Nc2nnc(C)n2N)o1 59596737 PMTCOVGBJOQVNI-QGMBQPNBSA-N 346.778 2.668 30 40 EFEB CCCCCCCCN1C(=O)N(C)[C@@H](N(O)C(=O)NC)C1(C)C 8686843 NKTGTVYDYJHUKC-ZDUSSCGKSA-N 328.457 2.850 30 40 EFEB COc1cc(C[C@H](C#N)C(=O)Nc2ccccc2OC)ccc1O 57523311 OIZIMHBQRBRYMJ-CYBMUJFWSA-N 326.352 2.730 30 40 EFEB C#Cc1cccc(NC(=O)N[C@H](Cc2ccccc2)C(=O)NC2CC2)c1 69921630 LPIIENICTREXAC-LJQANCHMSA-N 347.418 2.679 30 40 EFEB CN(C)S(=O)(=O)c1ccc(C(=O)/C=C/c2ccc(F)cc2)cc1 5155922 YJLCUUQVCNZOQO-LFYBBSHMSA-N 333.384 2.972 30 40 EFEB COc1ccc(C2=N/C(=C\c3cccc(C#N)c3)C(=O)O2)cc1OC 14169860 HMHPCOZDQJZHQM-DHDCSXOGSA-N 334.331 2.920 30 40 EFEB C=CCN(C(=O)[C@@H](NC(C)=O)C(C)C)c1nc2c(s1)CCCC2 6553417 NLZWMWXMTFCNSZ-HNNXBMFYSA-N 335.473 2.702 30 40 EFEB CC[C@H](/C(O)=N/S(=O)(=O)c1cnn(CC)c1)c1ccc(F)cc1 97142067 ZPURAUWQJXTYRE-AWEZNQCLSA-N 339.392 2.881 30 40 EFEB COc1ccc(S(=O)(=O)/N=C(\O)CC[C@@H]2CCCCO2)cc1C 78984655 VDSJATOUKNPCQC-ZDUSSCGKSA-N 341.429 2.998 30 40 EFEB N#C[C@@H]1CN(C(=O)CCc2ccsc2)CCN1Cc1ccccc1 74673108 CGARDHPOWLURRH-GOSISDBHSA-N 339.464 2.917 30 40 EFEB Cc1ccc([C@@H]2[C@H](S(=O)(=O)c3ccc(Cl)cc3)[C@@]2(N)C#N)cc1 218481491 FGUZPQFCMDISOL-IXDOHACOSA-N 346.839 2.809 30 40 EFEB N#Cc1ccc(Cn2cc([C@@H]3OCCN3Cc3ccccc3)nn2)cc1 216772921 VMPMUKNKOWZMDM-FQEVSTJZSA-N 345.406 2.729 30 40 EFEB CC(C)NS(=O)(=O)c1ccc(NCc2cc(C#N)ccc2F)cc1 96453322 AQDJLPUJOUFQGQ-UHFFFAOYSA-N 347.415 2.996 30 40 EFEB N#Cc1ccc(N2CCC(NC(=O)N3CCc4ccccc43)CC2)nc1 67250807 WPLAOVBBWPXQCL-UHFFFAOYSA-N 347.422 2.694 30 40 EFEB CC(C)Cn1ncc(C(=O)N[C@@]2(C#N)CCSC2)c1C(F)F 90122456 WTFNWDBVUSTJRM-CQSZACIVSA-N 328.388 2.606 30 40 EFEB N#C[C@H]1C(=O)Nc2nn(-c3ccccc3)c(O)c2[C@H]1c1cccs1 14163290 VECLYMWMCMMIDQ-DGCLKSJQSA-N 336.376 2.863 30 40 EFEB O=C1CCCC2=C1C1(O[C@@H]3C=CC=CN23)C(=O)c2ccccc2C1=O 972834 MWSNOSJXWPAOIL-MRXNPFEDSA-N 333.343 2.553 30 40 EFEB CCCCCCCN1C=CCC(S(=O)(=O)N2CCOCC2)=C1 2022809 FDGWHIJITFTDOL-UHFFFAOYSA-N 328.478 2.680 30 40 EFEB CS(=O)(=O)c1ccc(Cl)c(NC(=O)c2ccc(C#N)cc2)c1 2634671 NGKPMIHJVJTBQM-UHFFFAOYSA-N 334.784 2.867 30 40 EFEB CCN(CC)C(=O)N1CCC(C(=O)Nc2ccc(C#N)cc2)CC1 59749578 XSFBILSZBIMXSA-UHFFFAOYSA-N 328.416 2.671 30 40 EFEB N#CC1(C#N)[C@]23CCCC[C@H]2C[C@@]2(CCCCC2=O)[C@]1(C#N)C(=N)O3 100811916 WZHIALLOUWXHNU-BIGGFVEDSA-N 336.395 3.000 30 40 EFEB C=CCSCC(=O)Nc1cc(C(N)=O)ccc1N1CCCCC1 56329548 QFDVEQGBHMOPPH-UHFFFAOYSA-N 333.457 2.634 30 40 EFEB N#CC1(NC(=O)CN(Cc2cccs2)C[C@@H]2CCCO2)CCCC1 57355079 RKOBWXRLFQLKHA-HNNXBMFYSA-N 347.484 2.682 30 40 EFEB CC1=CC(=O)C2=C(C)C[C@H](OC(=O)CC(C)C)[C@H]3[C@H](C)C(=O)O[C@@H]3[C@@H]12 4028394 SWPNYWJFYRZWCQ-WLKGZBLQSA-N 346.423 2.987 30 40 EFEB biogenic C=CCNc1nnc(SCc2csc(NC(C)=O)n2)s1 24784763 AFTGDTQCMNOKBB-UHFFFAOYSA-N 327.460 2.843 30 40 EFEB N#Cc1ccccc1NC(=O)COC(=O)c1ccc(Cl)cc1N 5118385 STGNPQKIMPVQHM-UHFFFAOYSA-N 329.743 2.589 30 40 EFEB C[C@H](Oc1ccccc1C(F)(F)F)C(=O)Nc1nc(C#N)c(C#N)[nH]1 69559956 JFWWENJCLQGVLU-QMMMGPOBSA-N 349.272 2.578 30 40 EFEB N#Cc1ccc(OCC(=O)Nc2cccc(N3CCCC3=O)c2)cc1 6987734 WWWPGLBJCKTHGK-UHFFFAOYSA-N 335.363 2.703 30 40 EFEB Cc1cc(N)nc(SCC(=O)N(CCC#N)c2ccccc2F)n1 7048466 AEEIQGBQSBPGTK-UHFFFAOYSA-N 345.403 2.545 30 40 EFEB COc1ccc(C=Nn2c(O)nc3ccccc3c2=O)cc1Cl 409353389 KACPPRSCWPUJAJ-UHFFFAOYSA-N 329.743 2.646 30 40 EFEB O=C1/C(=C/C2=Cc3ccccc3OC2)NS(=O)(=O)c2ccccc21 8992958 VUAODTJGIVJGSV-GDNBJRDFSA-N 339.372 2.521 30 40 EFEB N#C[C@@H](NC(=O)c1ccc(N2CCOC2=O)cc1)c1ccccc1F 71889066 GEUPAJIFTSVSDX-MRXNPFEDSA-N 339.326 2.777 30 40 EFEB COc1ccc(OC)c(C(=O)N(CCC#N)Cc2cccnc2)c1 72285167 LJIAGWTUKJRIRZ-UHFFFAOYSA-N 325.368 2.655 30 40 EFEB N#Cc1ccc(N2CCC(Nc3nc(N)c4ccccc4n3)CC2)nc1 95449371 KODDZEHQTGYMFU-UHFFFAOYSA-N 345.410 2.560 30 40 EFEB C=CCNC(=O)c1ccn(COc2cccc(C(F)(F)F)c2)n1 28237912 NGZPDLBMSROAIG-UHFFFAOYSA-N 325.290 2.854 30 40 EFEB COc1ccccc1[C@H](C)N(C)S(=O)(=O)c1ccccc1C#N 30524266 XIUPWEIQBDLQNG-ZDUSSCGKSA-N 330.409 2.949 30 40 EFEB CC(=O)N[C@@]1(c2nc(C)cs2)CCN(c2ccc(C#N)cc2)C1 548661432 ALBVGJGIYCOSHS-KRWDZBQOSA-N 326.425 2.565 30 40 EFEB Cc1ccc(S(=O)(=O)[C@H]2[C@@H](c3ccc(F)cc3)[C@]2(C#N)C=O)cc1 218560529 GNCCHFLGTJKCIP-SQNIBIBYSA-N 343.379 2.783 30 40 EFEB C=CCO[C@@H]1CC2(CCN(C(=O)COC)CC2)c2cc(F)ccc21 96241687 QOFLQBYPRYDUMC-QGZVFWFLSA-N 333.403 2.980 30 40 EFEB O=C1[C@@H]2[C@@H](C(=O)N1/N=C/c1ccc(Cl)cc1)[C@H]1C=C[C@@H]2C12CC2 5024167 GZALAPHOSCORED-BHPARCMQSA-N 326.783 2.871 30 40 EFEB CCOC(=O)C1=C2c3ccccc3CC3(CCCCC3)N2C(=O)C1=O 2192434 HXYJEXHPVWPXBM-UHFFFAOYSA-N 339.391 2.631 30 40 EFEB COc1cccc(NC(=O)C2CCN(c3ccc(C#N)cn3)CC2)c1 23994937 CZDYCBMJSFRUIJ-UHFFFAOYSA-N 336.395 2.817 30 40 EFEB CC(C)(C)C(=O)N1CCC[C@@H](C(=O)[C@H](C#N)C(=O)c2ccccc2)C1 102765883 ZBLUBGKVVIRIQQ-HZPDHXFCSA-N 340.423 2.863 30 40 EFEB COc1ccccc1/C=C/C=N/n1c(S)nnc1-c1cc(C)n[nH]1 8684634 HMGGNGFWZMVINS-VZGLCWHJSA-N 340.412 2.821 30 40 EFEB Cc1ccc(OCC(=O)N[C@H](C#N)c2cnn(-c3ccccc3)c2)cc1 65523877 MWFZVNADCXOJRA-LJQANCHMSA-N 346.390 2.941 30 40 EFEB C=CCc1ccc(OCC(=O)Nc2nnc(CC)s2)c(OC)c1 7347719 WLVFBSLVEVWARF-UHFFFAOYSA-N 333.413 2.855 30 40 EFEB C#CCOc1ccc(F)cc1NC(=O)NC[C@@H](O)c1cccs1 97010143 JDUWEFKELXSEFV-CYBMUJFWSA-N 334.372 2.754 30 40 EFEB Cn1cc(N2CC[C@@H](Sc3ccc(C#N)cc3Cl)C2=O)cn1 89755836 DURWKRKMWPKGLK-CQSZACIVSA-N 332.816 2.843 30 40 EFEB CCN(CC)S(=O)(=O)/N=C(\O)[C@H]1C[C@H]1c1ccc(Cl)cc1 78984761 HICHGRUROZQQSM-STQMWFEESA-N 330.837 2.987 30 40 EFEB COc1ccccc1[C@@H](C)CC(=O)[C@H](C#N)C(=O)NC1CCCC1 78411105 OLQJXASKFNIIMB-BBRMVZONSA-N 328.412 2.956 30 40 EFEB COc1ccc([C@H](CN[C@H]2CCC[C@@H](C#N)C2)N2CCOCC2)cc1 248945896 ZGINJGQDPRBLHO-KPFFTGBYSA-N 343.471 2.740 30 40 EFEB CC(=O)N[C@H]1[C@@H](O)C[C@@H]2[C@H]3CCC4=CC(=O)CC[C@]4(C)[C@@H]3CC[C@@]21C 253504356 FOJQXPABGWZAGJ-SVMVYQPLSA-N 345.483 2.994 30 40 EFEB biogenic,in-vitro N#Cc1ccc([C@H](N[C@H](C[C@H]2CCOC2)c2ccccc2)C(N)=O)cc1 390835236 HJUWSOVARRICAS-AHRSYUTCSA-N 349.434 2.842 30 40 EFEB COc1ccc(NC(=O)CO/N=C(\N)c2cccs2)cc1Cl 50512770 BBGXLPBCEVJUMI-UHFFFAOYSA-N 339.804 2.686 30 40 EFEB Cc1nn(C[C@H](O)c2ccc(CC(C)C)cc2)c(=O)c(C#N)c1C 51293696 HJVPGIXDHZTTNK-SFHVURJKSA-N 325.412 2.664 30 40 EFEB COC(CN1C(=O)C(O)=C(C(C)=O)[C@H]1c1ccc(C(C)C)cc1)OC 813454 RPQYVOUTXDOBMR-QGZVFWFLSA-N 347.411 2.713 30 40 EFEB CCOC(=O)c1sc(N)c(C#N)c1COC(=O)[C@H]1CC=CCC1 6291326 LFCVBOWUJNAIQN-JTQLQIEISA-N 334.397 2.778 30 40 EFEB COCCCNC(=O)[C@H](C#N)C(=O)c1oc2ccc(Cl)cc2c1C 103502838 PCJZGGJNYMRGGK-CYBMUJFWSA-N 348.786 2.870 30 40 EFEB COc1ccc2ccccc2c1/C=N/n1c(=S)[nH]nc(C)c1=O 8228483 GXRUXJGPPFAUGR-RQZCQDPDSA-N 326.381 2.653 30 40 EFEB N#CCOc1cccc(NC(=O)N2CCN(c3ccccc3)CC2)c1 48514627 OWUMZZJUGJAAKF-UHFFFAOYSA-N 336.395 2.943 30 40 EFEB CCOc1ccc(-c2c(C#N)c(N)nc3c2CN(C)CC3)cc1OC 18222895 KYJCYBHZYWIAJY-UHFFFAOYSA-N 338.411 2.598 30 40 EFEB COc1cccc([C@H](C)NC(=O)COC(=O)c2ccc(C#N)cc2)c1 67197860 OSWRRCMFGZPBEQ-ZDUSSCGKSA-N 338.363 2.601 30 40 EFEB CCOC(=O)c1cc(C#N)c(SCC(=O)N[C@H](C)C(C)C)nc1C 7149432 JHPAXOKZZJSGLM-LLVKDONJSA-N 349.456 2.691 30 40 EFEB CC(C)(C)c1n[nH]c([C@H]2CN(Cc3ccccc3C#N)CCO2)n1 76050023 QDNPLXCEVARJME-OAHLLOKOSA-N 325.416 2.547 30 40 EFEB O=C1C[C@H](c2ccco2)CC2=C1[C@@H](c1cccc(O)c1)n1ncnc1N2 9484271 SDWXIVZXZNLMEG-KZULUSFZSA-N 348.362 2.992 30 40 EFEB N#Cc1ccc(NC(=O)N2CCCC[C@H]2CN2CCCC2=O)cc1 71897532 VINQRRRGTZXHQW-INIZCTEOSA-N 326.400 2.567 30 40 EFEB Cc1ccc(-c2n[nH]c(/N=C(\O)[C@@H]3CC(=O)N(C4CCCC4)C3)n2)o1 97049103 BXFYWGIJYDQEHM-LLVKDONJSA-N 343.387 2.752 30 40 EFEB Cc1cc(C(=O)[C@@H](C#N)c2nc(-c3ccncc3)cs2)cc(=O)[nH]1 97370239 LLVIWLVHNOZQIV-CYBMUJFWSA-N 336.376 2.692 30 40 EFEB CC(C)Cc1n[nH]c(/N=C(\O)[C@@H](C)N2Cc3ccccc3C2=O)n1 95475247 IPWYSGILDDQJSY-LLVKDONJSA-N 327.388 2.636 30 40 EFEB N#Cc1cccc(Cn2cc([C@@H]3OCCN3Cc3ccccc3)nn2)c1 216772804 YIEDZHMIQFRAFF-FQEVSTJZSA-N 345.406 2.729 30 40 EFEB COC(=O)c1cccc(NC2CCN(c3cccc(C#N)n3)CC2)c1 96482727 PPBSAXKYFBMCRB-UHFFFAOYSA-N 336.395 2.821 30 40 EFEB N#CC1(CNC(=O)[C@H]2CCN(C(=O)c3ccccc3)C2)CCCCC1 600104211 CIVQICNONKWCRL-KRWDZBQOSA-N 339.439 2.739 30 40 EFEB CCOC(=O)[C@H]1CCC/C1=N\Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 15635881 RKNJNYYCAGXQGL-MKNMWBPTSA-N 336.304 2.634 30 40 EFEB N#Cc1ccccc1COc1ccccc1[C@H]1CC(=O)Nc2ncnn21 6227077 LZRJZZXDYHUKTA-MRXNPFEDSA-N 345.362 2.660 30 40 EFEB C=CCOc1c(Br)cc(CNCCCNC)cc1OC 7525109 XNAJEFLEUPSQLC-UHFFFAOYSA-N 343.265 2.722 30 40 EFEB COc1cccc(OC)c1OC[C@@H](O)CNc1ccc(C#N)cc1F 69417790 XCGPSVGHEGYYAZ-ZDUSSCGKSA-N 346.358 2.566 30 40 EFEB O=[N+]([O-])c1cc(F)cc(S(=O)(=O)/N=C(\O)C2CCCCC2)c1 54491925 XVQGPIWHFXQKIB-UHFFFAOYSA-N 330.337 2.959 30 40 EFEB C=CCNC(=O)[C@@H](C)Nc1ccc(N2C[C@H](C)O[C@H](C)C2)c(F)c1 106122978 DLSXRQHDSDBUKT-HZSPNIEDSA-N 335.423 2.542 30 40 EFEB COC(=O)c1ccc(OC(=O)[C@H](C)Oc2ccc(C#N)cc2)cc1 13140755 AUTJCLQZMRRHDZ-LBPRGKRZSA-N 325.320 2.718 30 40 EFEB Cc1nn(C)c(C)c1C(=O)/C=C/c1cc2c(cc1[N+](=O)[O-])OCCO2 64925830 TVFLSCLVASDOBW-SNAWJCMRSA-N 343.339 2.612 30 40 EFEB CN1C(=S)S[C@@H](/[N+]([O-])=C/c2ccc([N+](=O)[O-])cc2)C1(C)C 4785446 SJXGSKROSZHOGW-SHLUWWQESA-N 325.415 2.592 30 40 EFEB N#C[C@H](C(=O)c1csc(C2CC2)n1)c1nnc2n1CCCCC2 97000175 BZNLBFFLTZYWQT-LLVKDONJSA-N 327.413 2.828 30 40 EFEB N#CC1(CS(=O)(=O)N[C@H](c2cc(F)ccc2F)C2CC2)CC1 95944282 RATHYVYWNHNGON-AWEZNQCLSA-N 326.368 2.639 30 40 EFEB Cc1ccc([C@@H]2CCCCCN2S(=O)(=O)N(C)CCC#N)o1 96415069 ZDMLKDCCHGJRLG-AWEZNQCLSA-N 325.434 2.595 30 40 EFEB CN(C)[C@@H](CNc1ncc([N+](=O)[O-])cc1C#N)c1c(F)cccc1F 96406531 UVSAYJCLRANBAF-AWEZNQCLSA-N 347.325 2.854 30 40 EFEB CC(C)[C@@H]1CCCN1CC(=O)Nc1c(C#N)cnn1-c1ccccc1 58191955 XLUKDGLARZIBOH-KRWDZBQOSA-N 337.427 2.803 30 40 EFEB Cc1nc(C)n(C[C@H]2CCCN(Cc3ccc(C#N)cc3F)C2)n1 69816850 WZEDDIJBKCLTQI-INIZCTEOSA-N 327.407 2.818 30 40 EFEB COC(=O)c1ccc(/C=N/c2cccc(N(C)S(C)(=O)=O)c2)cc1 19855727 VBWPYIUREVHMIV-LDADJPATSA-N 346.408 2.620 30 40 EFEB CCOC(=O)[C@H](C)N1C(=O)S/C(=C/c2ccc(C#N)cc2)C1=O 4472154 ALJFHALVNUNMHY-XNFYSYIQSA-N 330.365 2.546 30 40 EFEB N#CCC(=O)N(CCn1ccnc1)Cc1ccccc1Br 579700653 VGLXXZAQVLFDMH-UHFFFAOYSA-N 347.216 2.588 30 40 EFEB C=CCO[C@@H]1CCN(C(=O)CC2(O)CCC2)[C@H]1Cc1ccccc1 1565549649 XVZJDBNDSICVGZ-ZWKOTPCHSA-N 329.440 2.706 30 40 EFEB N#Cc1cccc(N[C@H]2CO[C@]3(CCN(C(=O)C4(F)CCC4)C3)C2)c1 1565547101 NKLBSXOFKSNJRU-SJLPKXTDSA-N 343.402 2.622 30 40 EFEB N#CC1(c2ccccc2)CCN(Cc2nnc([C@H]3CCOC3)o2)CC1 1849805314 MDSUYWLJWDXBCR-HNNXBMFYSA-N 338.411 2.631 30 40 EFEB C=CCSc1nc(=O)c2c(n1C)NC(=O)C[C@@H]2c1ccccc1F 4944605 UTTWXGDLZBIVBU-LLVKDONJSA-N 345.399 2.672 30 40 EFEB CC(C)(C)c1noc(CN2CCN(c3cccc(F)c3C#N)CC2)n1 32913763 KVHLGPSEFQRDPM-UHFFFAOYSA-N 343.406 2.700 30 40 EFEB Cn1cc(/C=C2\Oc3cc(OCC(N)=O)ccc3C2=O)c2ccccc21 27102010 CXKZLCBCLASRJN-LSCVHKIXSA-N 348.358 2.659 30 40 EFEB C#C[C@]1(O)CC[C@@H]2[C@@H]3C[C@@H]4O[C@@]45C[C@H](O)CC[C@]5(C)[C@H]3CC[C@@]21C 4029908 ODMURDDTNPVMMD-IZYATPJJSA-N 330.468 2.886 30 40 EFEB biogenic CC(C)CCN(C)C(=O)c1ccc(S(=O)(=O)CCCC#N)cc1 65563250 UYRNKQXWNQQZRG-UHFFFAOYSA-N 336.457 2.882 30 40 EFEB CSc1nnc(SCC(=O)[C@H](C#N)c2nc(C)cs2)s1 14134780 JHAZJHZAZMTIRM-ZETCQYMHSA-N 342.496 2.994 30 40 EFEB Cc1nn(C)c(Cl)c1COC(=O)[C@H](C)Oc1ccccc1C#N 84012405 XDXJBEAGOJQUBY-NSHDSACASA-N 333.775 2.764 30 40 EFEB COc1cc(C#N)ccc1CN[C@@H](C)c1ccc(S(C)(=O)=O)cc1 96490845 SSHDTOFKHVSDOX-ZDUSSCGKSA-N 344.436 2.821 30 40 EFEB COc1ccc([C@H](C#N)NC(=O)c2cc(C(C)C)[nH]n2)c(OC)c1 78510872 VIFOHWTVSWXLQQ-HNNXBMFYSA-N 328.372 2.545 30 40 EFEB O=S(=O)(/N=C(\O)c1ncccc1C(F)(F)F)c1ccsc1 97113086 CBLRFICWGKKFKF-UHFFFAOYSA-N 336.316 2.855 30 40 EFEB Cc1cc(/N=C/N2CCN(C)CC2)n2c(nc3ccccc32)c1C#N 97944941 KAZKACBHYUXCST-FYJGNVAPSA-N 332.411 2.575 30 40 EFEB O=C[C@@H]1O[C@H](c2ccccc2)O[C@@H]2CO[C@H](c3ccccc3)O[C@@H]12 4529599 FGRMUZCQGRXUEH-PJVZLEMVSA-N 326.348 2.782 30 40 EFEB CC/N=C1/S[C@@H](CC(=O)Nc2ccc(C)cc2C)C(=O)N1CC 7883617 LSGCLMYUAGUOKE-YWMAMYRUSA-N 333.457 2.972 30 40 EFEB N#Cc1cccnc1N1CC[C@H](Oc2ccncc2Br)C1 1776008966 TXYHZZFEMQPBRW-LBPRGKRZSA-N 345.200 2.768 30 40 EFEB C=CCN1CCC[C@]12CCCN(C(=O)c1ccc(OC)cc1OC)C2 1614936400 CGLVABGOMMKTPT-FQEVSTJZSA-N 344.455 2.960 30 40 EFEB Cc1nn(-c2ncccn2)c2c1[C@@H](c1ccc(C#N)cc1)CC(O)=N2 20729914 YSFJPWRSRQKUFG-CQSZACIVSA-N 330.351 2.966 30 40 EFEB COc1cc(C(=O)[C@@H](C=O)c2ccccc2)c([N+](=O)[O-])cc1OC 104215456 VGYVPVHUEQVNBO-ZDUSSCGKSA-N 329.308 2.777 30 40 EFEB C[C@H](C#N)CSc1ccccc1NC(=O)CN1CCC(CO)CC1 69778329 LFTYAJDQEAFUCG-CQSZACIVSA-N 347.484 2.581 30 40 EFEB Cc1cccc(/N=C/[C@H]2C(=O)NC(=S)N(c3ccccc3)C2=O)c1 408742322 WAPZEDWUKTYXLM-BKQORJHRSA-N 337.404 2.761 30 40 EFEB CCOC(=O)COc1cccc(/C=N/NCc2ccccc2OC)c1 20762893 UGLVYJWZEQHXGV-UDWIEESQSA-N 342.395 2.761 30 40 EFEB CCCCn1c(=O)c(CCC(=O)O[C@H](C)C#N)nc2ccccc21 5335164 YXLIOSTZFHNBDW-CYBMUJFWSA-N 327.384 2.584 30 40 EFEB N#Cc1ccc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])cc1Cl 4506303 CYVMFTDITNPYMM-UHFFFAOYSA-N 337.744 2.921 30 40 EFEB C=CCNC(=O)N1CCC[C@@H](c2nc(-c3ccc(F)cc3)no2)C1 65607596 SULOQAFQKPINMW-CYBMUJFWSA-N 330.363 2.951 30 40 EFEB COCCN(Cc1ccc(F)cc1Cl)C(=O)c1cc(C#N)cn1C 81158851 CSDSKGFBWHBYAF-UHFFFAOYSA-N 349.793 2.978 30 40 EFEB CCO[C@@H]1C[C@H](O)C12CCN(c1cc(C#N)nc3ccccc13)CC2 95403272 ZXGUYDNUXXNTNY-RBUKOAKNSA-N 337.423 2.863 30 40 EFEB CC/N=C1\S[C@@H](CC(=O)N[C@@H](C)c2ccccc2)C(=O)N1CC 95549187 AMSMDYHRNCZFJL-CAJFYDCNSA-N 333.457 2.594 30 40 EFEB CCc1cc(N[C@@H]2CCC[C@@H]2C(N)=O)n2c(nc3ccccc32)c1C#N 75109730 HQFVAFQVSCZTLI-DZGCQCFKSA-N 347.422 2.987 30 40 EFEB C#CCOc1cccc(CN2C[C@H]3ON=C(c4ccccc4)[C@H]3C2)c1 72343310 HHJVXEWJJOUXLB-VQTJNVASSA-N 332.403 2.934 30 40 EFEB C[C@@H](NC(=O)NCCc1cccc(C#N)c1)c1nc(C(C)(C)C)no1 252484724 GFRQTRDJIHPKLK-GFCCVEGCSA-N 341.415 2.842 30 40 EFEB COc1cc2c(c(OC)c1OC)CCN([C@H]1CC[C@@H](C#N)C1)CC2 590162725 NAKLOLHJFOJVJN-HIFRSBDPSA-N 330.428 2.805 30 40 EFEB CCOC(=O)c1ccc(/N=C2\C(=O)Nc3ccc([N+](=O)[O-])cc32)cc1 13882054 GYELWOZYPPGGTI-UHFFFAOYSA-N 339.307 2.844 30 40 EFEB N#Cc1cc2c([nH]c1=O)CCN(C(=O)Cc1cccc3ccccc13)C2 225683075 PGWXPXASOBBUFA-UHFFFAOYSA-N 343.386 2.527 30 40 EFEB CCN/C(S)=N/N=C/c1cc(Br)c(O)c(OCC)c1 6497296 QPFMRLKMEXWALV-VIZOYTHASA-N 346.250 2.783 30 40 EFEB Cc1ccc(C(=O)[C@@H](C#N)C(=O)CCc2c(C)nn(C)c2C)s1 102763728 LMCBAEYPPLGFPL-AWEZNQCLSA-N 329.425 2.931 30 40 EFEB COc1ccc(C(=O)N2CCCN(Cc3ccc(C#N)cc3)CC2)cc1 23450926 DPZFQHPTDHIKSN-UHFFFAOYSA-N 349.434 2.915 30 40 EFEB COc1cc([N+](=O)[O-])cc(/C=N/c2ccc([N+](=O)[O-])cc2O)c1O 102417399 KCJQLWXIALSOEL-VIZOYTHASA-N 333.256 2.673 30 40 EFEB CCc1cccc(CC)c1/N=C1\NC(=O)[C@@H](CC(=O)NC2CC2)S1 28892853 PKQZPVHOIDWTAO-CQSZACIVSA-N 345.468 2.699 30 40 EFEB N#Cc1cccnc1NC[C@@H]1CCN(c2ncnc3sccc23)C1 65475327 PFCFPHWNMAUEQS-LBPRGKRZSA-N 336.424 2.896 30 40 EFEB C=CCNC(=O)NC(=O)CSc1ncc(-c2ccc(F)cc2)o1 14095838 PFUSUAVVKNYACU-UHFFFAOYSA-N 335.360 2.585 30 40 EFEB N#Cc1cccc(S(=O)(=O)Nc2ccnn2Cc2ccccc2)c1 66249454 XYEUHMNUFLXLSH-UHFFFAOYSA-N 338.392 2.604 30 40 EFEB CCO[C@H](C)/C(O)=N/S(=O)(=O)c1ccc(F)cc1C(F)(F)F 71883917 XJDCSORQOCPJKG-SSDOTTSWSA-N 343.298 2.915 30 40 EFEB N#Cc1c(NC(=O)[C@@H]2C[C@@H]2c2cccc(F)c2)nc2n1CCS2 78789154 OSOSMXXYKBQVJD-VXGBXAGGSA-N 328.372 2.742 30 40 EFEB COc1ccc(CNC(=S)N/N=C\c2cccc([N+](=O)[O-])c2)cc1 30731449 PFUJXFHMOLZWTC-WQRHYEAKSA-N 344.396 2.602 30 40 EFEB Cc1c(C#N)c(SC[C@H]2CCCS(=O)(=O)C2)nc2c1CCC2 225438670 ZITXRIOOVOXZPM-GFCCVEGCSA-N 336.482 2.667 30 40 EFEB CC(C)(C#N)C(=O)N[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O 96496366 DLQMWGHEZUONOM-LBPRGKRZSA-N 340.210 2.765 30 40 EFEB CC(/C=C\c1ccccc1)=N/NS(=O)(=O)c1ccc([N+](=O)[O-])cc1 16892457 QJPWWLHVQGVEDY-YTALYMLMSA-N 345.380 2.962 30 40 EFEB CN(C)c1ccc(/C=C2\C(=O)c3sccc3S(=O)(=O)N2C)cc1 19894172 WQLKPHXVFLCNKX-JLHYYAGUSA-N 348.449 2.672 30 40 EFEB N#CCCN(CCC#N)S(=O)(=O)c1ccc(Cl)c(Cl)c1 33598172 WYVHMSNGVPZAFP-UHFFFAOYSA-N 332.212 2.811 30 40 EFEB C=C(Cl)CSc1nnc(CN2CCCC2=O)n1-c1ccccn1 24197451 KRNODTOGOXXAMM-UHFFFAOYSA-N 349.847 2.629 30 40 EFEB N#Cc1ccccc1CN1C(=O)N[C@]2(CCCc3sccc32)C1=O 12620742 RPFSEWFWHMNZOA-SFHVURJKSA-N 337.404 2.903 30 40 EFEB CC[C@@H](C)NC(=O)CNc1ccc(OCC(F)(F)F)c(C#N)c1 55849718 XGHYDSIJQGTEDR-SNVBAGLBSA-N 329.322 2.826 30 40 EFEB COc1cc(C[C@@H](C#N)C(=O)Nc2ccccc2OC)ccc1O 57523308 OIZIMHBQRBRYMJ-ZDUSSCGKSA-N 326.352 2.730 30 40 EFEB C[C@@H]1CN(C[C@@H]2CCCN2C(=O)Nc2cccc(C#N)c2)C[C@@H](C)O1 58017501 SYPSXSGKQUTWJB-RKVPGOIHSA-N 342.443 2.664 30 40 EFEB Cc1ccc(C)c(S(=O)(=O)Nc2ccccc2C(=O)OCC#N)c1 11240140 UCISHTWIFSWBPB-UHFFFAOYSA-N 344.392 2.785 30 40 EFEB CN(C)/N=N/c1ccc(S(=O)(=O)/N=C(\O)c2ccccc2)cc1 18179864 LVVFDUFLAXFCSO-FBMGVBCBSA-N 332.385 2.940 30 40 EFEB C[C@@H](NC(=O)COC(=O)c1cccc(C#N)c1)c1ccc(F)cc1 3545717 GMTVVAMUWKFHET-GFCCVEGCSA-N 326.327 2.732 30 40 EFEB CC(C)(C(=O)NCCNc1ncccc1C#N)c1ccccc1F 69392133 JQVBGXHZZKXMGX-UHFFFAOYSA-N 326.375 2.598 30 40 EFEB N#CC1(NC(=O)CCc2cccc(Cl)c2)CCC2(CC1)OCCO2 69520476 LXBIPZBBTQXSIA-UHFFFAOYSA-N 348.830 2.968 30 40 EFEB Cc1cc(Cl)cc(Cl)c1OCC(=O)Nc1[nH]ncc1C#N 72260304 STOXYJGKXUSUIX-UHFFFAOYSA-N 325.155 2.914 30 40 EFEB N#Cc1cccc(Cn2cc([C@H]3OCCN3c3ccc(F)cc3)nn2)c1 216770980 RCDKZSSQBPROGZ-LJQANCHMSA-N 349.369 2.873 30 40 EFEB Cn1cc(C#N)cc1C(=O)OCCNc1ccc(C(F)(F)F)cn1 89754985 CSNRKHVSFSEDEQ-UHFFFAOYSA-N 338.289 2.579 30 40 EFEB N#Cc1ncn(CCCc2nc(-c3cccc(C(F)(F)F)c3)no2)n1 40488848 BTEZQWHYHZRSOF-UHFFFAOYSA-N 348.288 2.851 30 40 EFEB Cc1cccc2c(=O)n(CCC(=O)Nc3cccc(C#N)c3)cnc12 11374285 DELLOJBTLAZZNY-UHFFFAOYSA-N 332.363 2.605 30 40 EFEB N#CCCN(C(=O)COC(=O)Cc1ccc(F)cc1)c1ccccc1 7514883 PTAMKQXOUBUOSH-UHFFFAOYSA-N 340.354 2.858 30 40 EFEB CCOc1ccc(/N=C/c2cccc(OC)c2OCC(N)=O)cc1 361130 RXKQGGYSNORYDQ-RGVLZGJSSA-N 328.368 2.709 30 40 EFEB Cc1ccc2c(c1)/C(=N\Nc1nncc(-c3ccccc3)n1)C(=O)N2 4714476 XBYUVJNXSUOCIE-UHFFFAOYSA-N 330.351 2.615 30 40 EFEB Cc1ccc(C(=O)C2CCN(CC(=O)N(C)CCC#N)CC2)c(C)c1 32825549 SLNPMMYIFRMTDG-UHFFFAOYSA-N 341.455 2.570 30 40 EFEB CCOc1ccccc1/C=C/C(O)=N/S(=O)(=O)c1cccnc1 42321484 ULWXQHIYRJFALT-MDZDMXLPSA-N 332.381 2.839 30 40 EFEB COC(=O)c1cccc(NCC(=O)NC2(C#N)CCCCCC2)c1 26782930 UMOLKJJBYOAENS-UHFFFAOYSA-N 329.400 2.618 30 40 EFEB CC(C)(C)n1cc(C#N)cc1NC(=O)N[C@H](CO)c1ccccc1 69700235 NEMRWIXXHRLSDI-OAHLLOKOSA-N 326.400 2.970 30 40 EFEB COc1cc(C(C)=O)ccc1OC[C@H](O)CN(CCC#N)CC(C)C 8235341 SGVUECNNOVDFRW-QGZVFWFLSA-N 348.443 2.509 30 40 EFEB C[C@@H](OC(=O)CCOc1ccccc1)C(=O)Nc1cccc(C#N)c1 5988426 SZBJNYNXAUHCJJ-CQSZACIVSA-N 338.363 2.898 30 40 EFEB COc1cc(C#N)ccc1OCC(=O)N1CC[C@@H]2CCCC[C@@H]2C1 7017265 SXTLVHGZOIWAHI-JKSUJKDBSA-N 328.412 2.984 30 40 EFEB N#Cc1cc(NCCn2cc([N+](=O)[O-])cn2)ccc1C(F)(F)F 97379214 KEIGTVFMSDUYER-UHFFFAOYSA-N 325.250 2.794 30 40 EFEB C=CCN(c1cccc(F)c1)S(=O)(=O)c1ccc2c(c1)OCCO2 224835808 BLCUENLXRDDAOQ-UHFFFAOYSA-N 349.383 2.978 30 40 EFEB C[C@@H](C(=O)N1CCCN(c2ncccc2C#N)CC1)c1ccccc1 195567087 WXNUTEKWZHAGLH-MRXNPFEDSA-N 334.423 2.796 30 40 EFEB Cc1nn(CCOc2ccc(C#N)cc2)c(C)c1[C@@H]1CCCC(=O)N1 596302081 POIIGEKNEZZNFU-KRWDZBQOSA-N 338.411 2.792 30 40 EFEB COc1cc(B2OC(C)(C)C(C)(C)O2)ccc1CC(=O)OC(C)(C)C 675082139 UNUAQWXNTWAKSG-UHFFFAOYSA-N 348.248 2.879 30 40 EFEB C=CCO[C@H](C)C(=O)NC[C@H](c1cccc(OC)c1)N1CCCC1 69347578 GLTYMSVEDQTXPL-CRAIPNDOSA-N 332.444 2.539 30 40 EFEB C=CCOC(=O)[C@@H](Cc1ccccc1)NC(=O)c1ccc(F)cc1 16138423 POIILRNSHMUSGF-QGZVFWFLSA-N 327.355 2.896 30 40 EFEB CN(C)c1ccc([C@H]2[C@H](C#N)C(=O)Nc3nc4ccccc4n32)cc1 9262175 SDLAUQGTNACGLK-YOEHRIQHSA-N 331.379 2.784 30 40 EFEB COc1cc(/C=N/c2ccc(N3CCOCC3)cc2)cc(OC)c1O 561145 XCKIWJQLEIBILD-DEDYPNTBSA-N 342.395 2.997 30 40 EFEB N#C/C(=N\Nc1ccc(Cl)c(Cl)c1)C(=O)NC[C@@H]1CCCO1 27023890 NJUICVUAXYKWSX-JGASNLTESA-N 341.198 2.580 30 40 EFEB Cc1ccc(C)c(-n2ccnc2SCC(=O)N(C)CCC#N)c1 8345188 MADAJLBMWSTJEM-UHFFFAOYSA-N 328.441 2.953 30 40 EFEB COc1ccc(CC(=O)OCc2cccc(C#N)c2)c(OC)c1OC 25288666 WWNWHDUKLXHFJU-UHFFFAOYSA-N 341.363 2.870 30 40 EFEB COCCNc1oc(/C=C/c2ccc(OC)c(OC)c2)nc1C#N 8469271 GYSJXMVUQWXPAH-FNORWQNLSA-N 329.356 2.792 30 40 EFEB C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@@]43C)[C@@H]1CC[C@@]21OCC1=O 118936512 RCHAJOCTTNTLHW-VWUMJDOOSA-N 342.435 2.603 30 40 EFEB Cc1nn(CC(C)C)c(C)c1S(=O)(=O)N(C)c1cccc(C#N)c1 96009456 MYWOLHUEDUZOGH-UHFFFAOYSA-N 346.456 2.853 30 40 EFEB C#CCN1CCC(C(=O)N[C@H](C)[C@@H](OC)c2ccc(Cl)cc2)CC1 96412154 JLCMBJMJYDSKTE-RDTXWAMCSA-N 348.874 2.877 30 40 EFEB C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1[C@H](O)C[C@@H]2C(=O)CO 118917637 WLKFAOIOXFCZPW-PAQWLQJESA-N 346.467 2.667 30 40 EFEB C[C@@H](OC(=O)[C@@H]1CC(=O)N(CC(F)(F)F)C1)c1ccc(C#N)cc1 75093814 JVKXWLRNXLRVLM-ZWNOBZJWSA-N 340.301 2.573 30 40 EFEB N#C[C@@]1(N)[C@@H](S(=O)(=O)c2ccc(Cl)cc2)[C@@H]1c1ccccc1 218056005 NLTUKCSWQLISEX-JYJNAYRXSA-N 332.812 2.501 30 40 EFEB Cn1c(CCNC(=O)Nc2cccc(C#N)c2)nc2ccc(F)cc21 80767877 IEUCHBUHTWMKIW-UHFFFAOYSA-N 337.358 2.948 30 40 EFEB CC(C)(C)OC(=O)NC1CCN(C(=O)c2cccc(C#N)c2)CC1 47554887 TXUYYQYPISNQEE-UHFFFAOYSA-N 329.400 2.688 30 40 EFEB O=C1/C(=N\Nc2cccnc2)c2cc(F)cc(F)c2N1C1CSC1 223749900 NJUUNXPPRNYLRW-STZFKDTASA-N 346.362 2.638 30 40 EFEB N#Cc1cnc2ccccc2c1N1CCC[C@@H](C(=O)NCC2CC2)C1 96429190 JFKQFQQSZYMMAU-OAHLLOKOSA-N 334.423 2.849 30 40 EFEB C=CCOC[C@H]1c2nnn(CC3CC3)c2CCN1Cc1ccoc1 96060587 VUXYJOQLSRJTQD-KRWDZBQOSA-N 328.416 2.583 30 40 EFEB CC(=O)Oc1ccc(/C=C2\CN(C3CCCCC3)C(=O)C2=O)cc1 5726386 KXNHUXDEIXTHKP-RVDMUPIBSA-N 327.380 2.739 30 40 EFEB CC(=O)Nc1ccccc1C#CCn1c(=O)c(C=O)cc2ccccc21 261828166 CAKPQUJPKAOUKI-UHFFFAOYSA-N 344.370 2.824 30 40 EFEB N#CC1CCN(C(=O)c2cnc(OC3CCOCC3)c(Cl)c2)CC1 253471114 BGLHELQAVWPGOF-UHFFFAOYSA-N 349.818 2.669 30 40 EFEB CCN(CC)c1ccc(/C=N/c2ccc(S(N)(=O)=O)cc2)cc1 261170 AVSMOWPJTFYPCJ-CPNJWEJPSA-N 331.441 2.931 30 40 EFEB COc1cccc(OC)c1OC[C@H](O)CNc1ccc(C#N)cc1F 69417789 XCGPSVGHEGYYAZ-CYBMUJFWSA-N 346.358 2.566 30 40 EFEB CC/N=C1\S/C(=C\c2cc3c(cc2OC)OCO3)C(=O)N1CC 409052464 SZUQKGBXRKXYKU-OSCXXXGMSA-N 334.397 2.736 30 40 EFEB CC1(C)C(=O)Nc2ccccc2N1C(=O)CNc1cccc(C#N)c1 15294628 WFCCZYIIYKEZRP-UHFFFAOYSA-N 334.379 2.734 30 40 EFEB COc1cccc([C@@H](C#N)NC(=O)c2cccc(CC#N)c2)c1OC 78510855 UGDNTEBNAXQEMI-MRXNPFEDSA-N 335.363 2.765 30 40 EFEB CCOc1ccc(-c2cc3c(=O)n(CC#N)ccn3n2)cc1Cl 72329608 BUKVMYUCGRTDGH-UHFFFAOYSA-N 328.759 2.739 30 40 EFEB C[C@@H](Cc1cccc(F)c1)NC(=O)C(=O)Nc1ccc(F)c(C#N)c1 95398422 RDWYCPWZYBODRQ-NSHDSACASA-N 343.333 2.522 30 40 EFEB CS(=O)(=O)CC1(CNc2c(C#N)cnc3ccc(Cl)cc23)CC1 95972067 HZKBHVSKHHUWOG-UHFFFAOYSA-N 349.843 2.997 30 40 EFEB C#CCn1cc(CN(C)C(=O)N[C@@H]2C[C@H]2c2cccc(Cl)c2)cn1 89364870 JPEVDOCIDBIFTQ-DLBZAZTESA-N 342.830 2.867 30 40 EFEB CN(CCn1cnnc1)C(=O)Nc1cccc(C#Cc2ccccc2)c1 89346549 YBGRGBUNRWNAGT-UHFFFAOYSA-N 345.406 2.842 30 40 EFEB CC(C)(C)OC(=O)[C@@H](NC(=O)c1cc(C#N)c[nH]1)c1ccccc1 89694299 MJGYWXZPPDEMNL-HNNXBMFYSA-N 325.368 2.699 30 40 EFEB Cc1ccc(N2C(=O)NC(=O)[C@@H](C=Nc3ccc(F)cc3)C2=O)cc1 408526955 IHKFUECFHFDAHX-OAHLLOKOSA-N 339.326 2.736 30 40 EFEB N#CCOc1ccc(Cl)cc1CN1CCCC[C@H]1C1OCCO1 69920577 DHEJCNMROKXQKK-HNNXBMFYSA-N 336.819 2.970 30 40 EFEB CN(C)c1ccc(/C=N/NC(=S)Nc2ccc3cn[nH]c3c2)cc1 13204933 PKIBBPUFYZSXSL-VCHYOVAHSA-N 338.440 2.949 30 40 EFEB O=[N+]([O-])c1cccc(/C=N/NC(=S)NCCc2ccccc2)c1 4194378 JZJQAKBWSZFDHE-LDADJPATSA-N 328.397 2.636 30 40 EFEB CCCn1c(=O)c2ccccc2n2c(SC[C@H](C)C#N)nnc12 12554094 YBHVRFAIBOBQOE-LLVKDONJSA-N 327.413 2.706 30 40 EFEB C=CCN(CC=C)S(=O)(=O)c1ccc2c(c1)C(C)(C)C(=O)N2CC 57280344 CUIHIPDRZQCSRE-UHFFFAOYSA-N 348.468 2.693 30 40 EFEB C=C(Br)CNC(=O)Nc1ccc(C(=O)NCCC)cc1 49300758 DWHBUGTVOLHGRL-UHFFFAOYSA-N 340.221 2.857 30 40 EFEB Cc1nc2c3c(ncn2n1)OC1=C(C(=O)CCC1)[C@@H]3c1ccccc1 5352232 TUWXLAPHUMPIBR-HNNXBMFYSA-N 332.363 2.964 30 40 EFEB CCc1cnccc1/C(O)=N/S(=O)(=O)Cc1ccc(F)cc1F 97113106 KHZUGVOPANHEBM-UHFFFAOYSA-N 340.351 2.757 30 40 EFEB N#Cc1ccc(F)c(CNC(=O)Nc2ccc3c(c2)NC(=O)CC3)c1 76081670 OJTGLGRYTCDWBD-UHFFFAOYSA-N 338.342 2.904 30 40 EFEB COc1cccc([C@@H]2[C@@H](NC(=O)C(C)(C)C#N)CCN2C2CC2)c1 95994577 AENKPMIPWXLKPA-DLBZAZTESA-N 327.428 2.639 30 40 EFEB CCC(CC)CN(CCC#N)S(=O)(=O)c1c[nH]c2ncccc12 79354762 YRDWIGVAPYORET-UHFFFAOYSA-N 334.445 2.903 30 40 EFEB Cc1nnc(N2CCC[C@@H](c3noc(C(C)C)n3)C2)c(C#N)c1C 72279250 LQEIXBUARQNBGQ-CYBMUJFWSA-N 326.404 2.856 30 40 EFEB CCN(CC)S(=O)(=O)/N=C(\O)[C@H]1C[C@H]1c1cc(F)ccc1F 76912954 BCYWVDKJWBNOJT-JQWIXIFHSA-N 332.372 2.611 30 40 EFEB CC(=O)Nc1ccc(C/C(N)=N/OC(=O)c2ccccc2C)cc1 226102643 WTYNMZOTRCXWEZ-UHFFFAOYSA-N 325.368 2.625 30 40 EFEB Cc1nc(C)c(CN2C(=O)N[C@](C)(c3cccc(C#N)c3)C2=O)s1 96424894 CKCBVPWJUWFBOP-QGZVFWFLSA-N 340.408 2.599 30 40 EFEB CCOCCC1(CN/C(=N/C)N2C[C@H](CC)O[C@H](CC)C2)CC1 1615589860 LVRCPSGITHLQPV-IYBDPMFKSA-N 325.497 2.658 30 40 EFEB N#Cc1ccc(Cn2nc(-c3cccc4ncccc34)oc2=O)cc1 13565819 YNGSDFKYRDOXRM-UHFFFAOYSA-N 328.331 2.971 30 40 EFEB CC(=O)Nc1ccc(S(=O)(=O)N/N=C\CCc2ccccc2)cc1 17284264 MNJJDWHMEDHDEO-AQTBWJFISA-N 345.424 2.542 30 40 EFEB C=CCN1C(=O)C(C)(C)COc2cc(NC(=O)[C@H]3CCCO3)ccc21 8958724 JPEPESKSELAEDO-OAHLLOKOSA-N 344.411 2.742 30 40 EFEB C=CCOc1cccc(NC(=O)N[C@H]2[C@H]3CC[C@@H](C3)[C@@H]2C(=O)OC)c1 101509658 XKDDIFSHBOCOMS-PYTWLRIVSA-N 344.411 2.961 30 40 EFEB C[C@@H](NC(=O)CCc1ccc(C#N)cc1)c1nnc2n1CCCCC2 29894999 NVTSRAINFHGEBO-CQSZACIVSA-N 337.427 2.686 30 40 EFEB CCCCCC(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2)c1 29894602 FPAOQNIGUYTDGA-UHFFFAOYSA-N 337.445 2.676 30 40 EFEB COc1ccc(NC(=O)[C@@H]2CCCN2C(=O)c2cccc(C#N)c2)cc1 58138968 WFHMUTZRHDIQQV-SFHVURJKSA-N 349.390 2.810 30 40 EFEB CCO[C@@H]1C[C@H](O)C12CCN(c1cc(C#N)c3ccccc3n1)CC2 95400827 RICNYOFQVOQCMP-ZWKOTPCHSA-N 337.423 2.863 30 40 EFEB CCn1cc([C@@H]2OCC[C@@H]2CNCc2ccc(OC)c(C#N)c2)cn1 78880464 BTQWICPEPKKKFN-DNVCBOLYSA-N 340.427 2.651 30 40 EFEB C#C[C@@H]1C[C@@H]2CC(=O)[C@H]3[C@@H]4CCC(=O)[C@@]4(C)CC[C@@H]3[C@@]2(C)C[C@@H]1O 3849644 RMHPKQZBZCPFIM-RUZOPAMWSA-N 328.452 2.997 30 40 EFEB biogenic C=CCOC[C@]12CCCO[C@H]1CCN(Cc1cccnc1OC)C2 96065027 PBGGRZCRGTXFQM-PKOBYXMFSA-N 332.444 2.664 30 40 EFEB CNC(=O)COc1ccc(CNc2c(Cl)cccc2C#N)cc1 95403090 QTEMZIJYIQMPES-UHFFFAOYSA-N 329.787 2.949 30 40 EFEB COc1ccccc1NC(=O)Cc1noc(-c2ccccc2C#N)n1 96462655 BFILPKABAHCMTR-UHFFFAOYSA-N 334.335 2.798 30 40 EFEB N#Cc1ccc(N2C[C@@]3(CCN(Cc4cccnc4)C3)CC2=O)cc1 96238839 FCJXYTMYNKXCKD-FQEVSTJZSA-N 332.407 2.582 30 40 EFEB COc1cccc([C@@H](C)N2CCN(C[C@H](C#N)CCC#N)CC2)c1 69845056 GPXBFJGMIPYAEG-SJORKVTESA-N 326.444 2.817 30 40 EFEB CS[C@H](CNS(=O)(=O)CC1(C#N)CC1)c1cccc(Cl)c1 96503192 SFRBXHGTWFTMCM-CYBMUJFWSA-N 344.889 2.967 30 40 EFEB CC1(C)OB(c2cc(Br)cc(C=O)c2F)OC1(C)C 208395377 TVFZPXFWYIDRSU-UHFFFAOYSA-N 328.974 2.700 30 40 EFEB N#Cc1ccc(N2CCN(c3ccc(-c4cccs4)nn3)CC2)cn1 1775976656 CWHYMWFGHHIQIP-UHFFFAOYSA-N 348.435 2.798 30 40 EFEB COc1ccc(C(=O)c2c(N)c(C#N)c3n2CCCC3)cc1OC 12371215 MRDFHEIWHLIDCZ-UHFFFAOYSA-N 325.368 2.526 30 40 EFEB O=C(O)C[C@@H]1S/C(=N\N=C\c2ccco2)N(c2ccccc2)C1=O 12376747 IYIYQTSVISWHQU-AQZCQDQHSA-N 343.364 2.593 30 40 EFEB CCN(C(=O)c1cccc(C(=O)OC)n1)[C@@H](C)c1ccc(C#N)cc1 56222490 XQLFDMPXEWHKQA-ZDUSSCGKSA-N 337.379 2.963 30 40 EFEB CC(C)(CNC(=O)COc1ccc(CC#N)cc1)N1CCCCC1 58163605 DEWYWVZMBZHCKR-UHFFFAOYSA-N 329.444 2.512 30 40 EFEB C#CCN1CCC(C(=O)Nc2nc3c(OC)cc(F)cc3s2)CC1 69484045 PMEZZAWFUXFFBM-UHFFFAOYSA-N 347.415 2.728 30 40 EFEB N#CC1(NC(=O)CSc2ccc3c(c2)OCCO3)CCCCC1 5018907 NYOOEIGVMRAVCN-UHFFFAOYSA-N 332.425 2.893 30 40 EFEB CCOc1ccc(S(=O)(=O)/N=C(\O)c2cc(C3CC3)on2)cc1 71793165 NBBPBMLZYLYLAK-UHFFFAOYSA-N 336.369 2.644 30 40 EFEB CC(C)[C@@H](C#N)N1CCN(C(=O)c2scnc2C(C)(C)C)CC1 96446273 OXAAIEYWBSPVLB-CYBMUJFWSA-N 334.489 2.747 30 40 EFEB COc1ccccc1[C@@H](C#N)NC(=O)c1cnn(Cc2ccccc2)c1 71890170 QGUKRJDSEFQABX-GOSISDBHSA-N 346.390 2.935 30 40 EFEB CC(C)n1ccc(C/C(O)=N/S(=O)(=O)CCc2ccccc2)n1 83766184 HWKZAHHMCRKVNT-UHFFFAOYSA-N 335.429 2.536 30 40 EFEB CCO[C@H]1C[C@@H](O)C12CCN(c1c(C#N)cnc3ccccc13)CC2 89986555 BIVJJPLPWTYUBN-MSOLQXFVSA-N 337.423 2.863 30 40 EFEB N#Cc1ccccc1CS(=O)(=O)NC(=O)/C=C/C1CCCCC1 76017097 NDRSNFJJLXDSLD-ZHACJKMWSA-N 332.425 2.641 30 40 EFEB C#CC[C@@H](NC(=O)c1cccc(NS(C)(=O)=O)c1)c1ccccc1 89486867 LSBQVJGYYNNVRE-QGZVFWFLSA-N 342.420 2.553 30 40 EFEB CC(=O)Nc1ccc(/C=C2\CS(=O)(=O)c3ccccc3C2=O)cc1 28912676 HTDJJUXRODBIJR-GXDHUFHOSA-N 341.388 2.699 30 40 EFEB Cc1ccc(-c2cc3nc(SCC#N)n(N)c(=O)c3s2)cc1 36646155 GMVGHJPFVZBAQY-UHFFFAOYSA-N 328.422 2.763 30 40 EFEB N#Cc1cnc(NCCCN2C(=O)COc3ccccc32)c(Cl)c1 78369968 ZNJSBGCOFXLFDV-UHFFFAOYSA-N 342.786 2.834 30 40 EFEB CCn1c(=O)c2ccccc2n2c(CNc3ccc(C#N)cc3)nnc12 58019679 GTXKXQYSJGBFRO-UHFFFAOYSA-N 344.378 2.548 30 40 EFEB Cc1cccc(C(=O)NCC(=O)N[C@H](C#N)c2cccc(Cl)c2)c1 97096029 GHUYNJBRWOPFCC-MRXNPFEDSA-N 341.798 2.759 30 40 EFEB C=CCNC(=O)[C@@]1(Cc2cc(-c3ccc(C)cc3)no2)CCCN1 19696495 CQYIOMKCHTYTOI-IBGZPJMESA-N 325.412 2.617 30 40 EFEB C=CCCC(=O)N1CCC2(CC1)C[C@@H](CN1CCC(F)(F)CC1)O2 503806328 OEYJWLLOHSZXIR-HNNXBMFYSA-N 342.430 2.834 30 40 EFEB N#Cc1nc(C2CC2)oc1N1CCN(C(=O)c2cccc(F)c2)CC1 40512068 QFWOPKADPLROEH-UHFFFAOYSA-N 340.358 2.525 30 40 EFEB C[C@H](NC(=O)c1ccc(C(F)(F)F)[nH]c1=O)c1ccc(C#N)cc1 26126016 VXZMGWNEOYNZJM-VIFPVBQESA-N 335.285 2.756 30 40 EFEB N/C(=N/OCc1ccc(-n2cccn2)cc1)c1ccc(F)c(F)c1 65205133 XQYUTQQILRTQHF-UHFFFAOYSA-N 328.322 2.988 30 40 EFEB COc1ccc(/C=C\C(=O)ON=C2C[C@@H]3CC[C@H](C2)N3C)cc1OC 4481640 CUMBRXFOZVSMMI-FPFWKXBNSA-N 344.411 2.873 30 40 EFEB C=CCOC(=O)C1=C(C)Nc2ncnn2[C@@H]1c1ccccc1OCC 4716209 ADNSOIUKGNOKSA-MRXNPFEDSA-N 340.383 2.695 30 40 EFEB C/N=C1\S[C@H](CC(=O)Nc2ccc(Cl)c(Cl)c2)C(=O)N1C 4714878 VOESJOWVVVVFNO-JITTUONFSA-N 346.239 2.882 30 40 EFEB C=CCNC(=O)c1ccc(N[C@H]2CCCC[C@@H]2n2cccn2)nc1 80606583 HKVOPJNFVCJYIF-HOTGVXAUSA-N 325.416 2.790 30 40 EFEB COc1cc(C#N)ccc1OCC(=O)N1CCC[C@@H](C(F)(F)F)C1 71870159 KARMWJOQSOSWHJ-GFCCVEGCSA-N 342.317 2.747 30 40 EFEB CN(C[C@@H](c1cccs1)N1CCOCC1)c1ccc(C#N)cn1 72276385 OSIBGIKZCFNDJA-HNNXBMFYSA-N 328.441 2.524 30 40 EFEB Cc1ccc(/C=C/C(O)=N/S(=O)(=O)N2CCc3ccccc3C2)o1 78530457 KDWGTBQXZGZSQD-CMDGGOBGSA-N 346.408 2.861 30 40 EFEB CC/N=C(\NCc1ccc(C(F)(F)F)cc1)NCc1cc[nH]n1 95397756 BPIUNRSVVCIOPW-UHFFFAOYSA-N 325.338 2.684 30 40 EFEB C#CCOc1cccc([C@@H](C)NC(=O)N[C@@H](C)c2cnn(C)c2)c1 95962464 BZNLRDHNJYZIMC-KGLIPLIRSA-N 326.400 2.554 30 40 EFEB CS(C)(=O)=NC(=O)c1ccc(NC(=O)C2(C#N)CCCC2)cc1 585085424 GZFXJBXRSMJWRL-UHFFFAOYSA-N 333.413 2.577 30 40 EFEB CC[C@H]1CCCCN1c1nn(-c2ccccc2[N+](=O)[O-])nc1C#N 256046094 CQAATAWVKDCHNK-LBPRGKRZSA-N 326.360 2.816 30 40 EFEB N#Cc1ccc2c(n1)CCCN2C(=O)CSC[C@@H]1CCCCO1 585125026 DOFDRTOFJDAQJR-AWEZNQCLSA-N 331.441 2.535 30 40 EFEB CC(C)N(CCC#N)C(=O)CCC(=O)c1ccc2c(c1)OCCO2 69656265 OCQKLDCEUKJGIX-UHFFFAOYSA-N 330.384 2.571 30 40 EFEB CC1=NN(c2ccccc2)C(=O)[C@@H]1/C=N/c1ccc(O)c(C(=O)O)c1 5950528 HPQMWIYHQNDKNK-GDXCHIGESA-N 337.335 2.832 30 40 EFEB CC(C)C/N=C1/NC(=O)[C@H](CC(=O)Nc2ccccc2Cl)S1 5976958 ILCHBNHQRLUPMC-LBPRGKRZSA-N 339.848 2.912 30 40 EFEB COc1cccc(C(=O)N2CCC[C@H](Oc3cc(C#N)ccn3)C2)c1 575604760 ATTSVMMCORJZJJ-KRWDZBQOSA-N 337.379 2.645 30 40 EFEB CNC(=O)c1cccc(NC(=O)CSc2ccc(C#N)cc2)c1 40554524 NQHVXJVEOIVHRY-UHFFFAOYSA-N 325.393 2.649 30 40 EFEB C=CCSc1nnc(NC(=O)c2cc(=O)[nH]c3ccccc23)s1 16045655 WCDSBJGEQFQWQA-UHFFFAOYSA-N 344.421 2.910 30 40 EFEB COc1ccc(S(=O)(=O)Nc2cc(C)cc(C)c2C#N)cc1OC 381837 NPYUMBGFIKHEOE-UHFFFAOYSA-N 346.408 2.993 30 40 EFEB COc1cc(Cl)c(C)cc1NC(=O)[C@H](C#N)C(=O)c1cc(C)no1 103504288 KWUMNFHIKYHWAI-SNVBAGLBSA-N 347.758 2.915 30 40 EFEB COc1ccc(CN2CCCN(C[C@H](C#N)CCC#N)CC2)cc1 25306509 ZZKNWCJITNUGQD-SFHVURJKSA-N 326.444 2.646 30 40 EFEB CC(=O)N[C@@H](C/C(O)=N/c1nc(C(F)(F)F)n[nH]1)c1cccs1 43751412 CNJVCXVKXGNXAI-ZETCQYMHSA-N 347.322 2.741 30 40 EFEB CCN(C(=O)CNC(=O)Cc1ccccc1)[C@@H](C)c1ccc(C#N)cc1 48374857 WTXPOZOLXOOMTP-INIZCTEOSA-N 349.434 2.827 30 40 EFEB CC(=O)Nc1ccccc1O[C@@H](C)C(=O)NC1(C#N)CCCCC1 3415753 RRCYHIXEMPLKCM-ZDUSSCGKSA-N 329.400 2.755 30 40 EFEB COc1cc(C(=O)OCc2ccc(C#N)cc2)cc(OC)c1OC 3556014 QAYIVRWQAHTFCX-UHFFFAOYSA-N 327.336 2.941 30 40 EFEB Cc1ccc(NC(=O)CN(C)C/C(O)=N/C2(C#N)CCCC2)cc1 82068082 VPQLLFFVTJNWEQ-UHFFFAOYSA-N 328.416 2.658 30 40 EFEB C=CCn1c(C)nnc1SCC(=O)Nc1cccc(C(C)=O)c1 6909825 UVEKNAZLTWGDDT-UHFFFAOYSA-N 330.413 2.706 30 40 EFEB Cc1nnc([C@@H](C)O/N=C(/N)Cc2cccc(Br)c2)o1 97009588 LZSRKZAMSBNKBJ-MRVPVSSYSA-N 339.193 2.733 30 40 EFEB O=C1CSC(=S)N1/N=C/c1cccn1-c1cccc([N+](=O)[O-])c1 409328382 UAJWKFQQWYSITE-OVCLIPMQSA-N 346.393 2.580 30 40 EFEB Cc1ccc(S(=O)(=O)[C@@H]2[C@@H](c3cccc(F)c3)[C@]2(C#N)C=O)cc1 218569952 RNWORIGFUVXEMI-KURKYZTESA-N 343.379 2.783 30 40 EFEB C/N=C(/NCc1ccon1)N[C@@H]1CCCN(c2ccccc2Cl)C1 96462457 PVVIOOBRAZCVCU-CQSZACIVSA-N 347.850 2.662 30 40 EFEB C[C@@H]1CCN(C(=O)[C@@H](C#N)Cc2ccc(C#N)cc2)C[C@H]1n1ccnc1 280449349 RHFDVBWDGHCFCL-ATZDWAIDSA-N 347.422 2.547 30 40 EFEB N#Cc1c(F)cccc1N1CCN(C(=O)/C=C/c2cscn2)CC1 50574671 ZAYRTQKAENELAY-SNAWJCMRSA-N 342.399 2.516 30 40 EFEB COc1ccc(-c2cc(=O)[nH]c(/N=C(\N)Nc3ccccc3)n2)cc1 17070595 KXVPQCMYDHZIGR-UHFFFAOYSA-N 335.367 2.504 30 40 EFEB COc1cc(OC)cc([C@H]2Nc3nonc3NC3=C2C(=O)CCC3)c1 12389530 IIHYJHQKRPXJCR-OAHLLOKOSA-N 342.355 2.673 30 40 EFEB N#Cc1c(CN2CCC[C@@H]2C(=O)NCc2ccco2)cn2ccccc12 40086084 RHJKYTKOOMXFNX-LJQANCHMSA-N 348.406 2.685 30 40 EFEB C#CCOc1cc(NC(=O)CSCC(=O)O)c(Cl)cc1Cl 2571583 WDXXOJINLIOHJT-UHFFFAOYSA-N 348.207 2.762 30 40 EFEB CN1CC[C@H](C(=O)[C@@H](C#N)c2nc(-c3ccccc3)cs2)CC1=O 41522282 VAXCDKMBTLGQLL-UONOGXRCSA-N 339.420 2.855 30 40 EFEB N#Cc1cccc(COC(=O)CCCN2C(=O)c3ccccc3C2=O)c1 24965816 CDSDADCVPIPXHE-UHFFFAOYSA-N 348.358 2.678 30 40 EFEB COCc1c(/C(O)=N/S(=O)(=O)c2cccnc2)oc2ccccc12 48531881 RZFKLEIEYQVQED-UHFFFAOYSA-N 346.364 2.668 30 40 EFEB C/C(=N\OCC(=O)Nc1ccccc1)c1ccc2c(c1)OCCO2 13147672 APUUWWQVYIWXSM-DEDYPNTBSA-N 326.352 2.837 30 40 EFEB C#C[C@]1(O)CC[C@@H]2[C@@H]3C[C@@H]4O[C@@]45C[C@@H](O)CC[C@]5(C)[C@H]3CC[C@@]21C 4029907 ODMURDDTNPVMMD-NOBXJXFTSA-N 330.468 2.886 30 40 EFEB biogenic CC1CCN([C@H](CNC(=O)CSCC#N)c2ccccc2)CC1 65622236 HQRALCBTDOZCEX-QGZVFWFLSA-N 331.485 2.833 30 40 EFEB CC(C)Cn1cc(C(=O)N[C@@H](C#N)c2cnn(-c3ccccc3)c2)cn1 97237762 JTFUJDFWKIIBPO-SFHVURJKSA-N 348.410 2.719 30 40 EFEB CSc1ccc(C(=O)Nc2ccc(-n3ncc(C#N)c3N)cc2)o1 95395574 NUPIMRZBOMZZGF-UHFFFAOYSA-N 339.380 2.893 30 40 EFEB C=CCNC(=O)N(C)CC1CCN(C(=O)Nc2ccccc2)CC1 95461043 OHBZZNPFCPGSHW-UHFFFAOYSA-N 330.432 2.758 30 40 EFEB CCN(C[C@H](C)C#N)S(=O)(=O)c1cc(C)ccc1Br 95980067 PVBQSNGVLDDBHS-LLVKDONJSA-N 345.262 2.928 30 40 EFEB CCN1C(=O)C(CC(=O)O)=C(C(=O)c2ccccc2C)[C@@H]1SC 62716332 GWLOMJDLHPEFMG-KRWDZBQOSA-N 333.409 2.500 30 40 EFEB CCO/C(O)=N/S(=O)(=O)c1cnccc1Nc1cccc(C)c1 38928611 ODHVVIKEJOPBII-UHFFFAOYSA-N 335.385 2.773 30 40 EFEB Cc1c(C(=O)Nc2ccccc2C#N)nnn1-c1cccc([N+](=O)[O-])c1 76709717 HNBGKMGDSIYFHW-UHFFFAOYSA-N 348.322 2.608 30 40 EFEB COc1ccc(F)c(N2CCN(C(=O)c3cc(C#N)oc3C)CC2)c1 332423091 RXPYADIGKKSPRS-UHFFFAOYSA-N 343.358 2.570 30 40 EFEB CN1CC[C@H](NC(=O)c2ccc(C#N)cn2)[C@@H]1c1ccc(Cl)cc1 90002290 PIUVJWGREBGLGN-RDJZCZTQSA-N 340.814 2.782 30 40 EFEB Cn1cc([C@@H]2C[C@@H](Nc3ccc([N+](=O)[O-])cc3C#N)CCO2)cn1 585092128 GHTWEHIOQCWCEY-BBRMVZONSA-N 327.344 2.532 30 40 EFEB CCC[C@H](C#N)NS(=O)(=O)c1cc(-c2nc(C)co2)ccc1C 585129775 VYUCOZJIJRTIND-CQSZACIVSA-N 333.413 2.929 30 40 EFEB N#Cc1cc(=N[C@H](CO)c2cccc(C(F)(F)F)c2)[nH]c(C2CC2)n1 601208956 RWWDXRGVWWAZEM-CQSZACIVSA-N 348.328 2.812 30 40 EFEB O=C(O)COc1ccc(C(=O)/C=C/c2cccc3c2OCO3)cc1 44025049 NGPVEANEAHQLPL-RMKNXTFCSA-N 326.304 2.775 30 40 EFEB C=CCc1cc(CNc2cn[nH]c(=O)c2Cl)cc(OC)c1OC 50956584 BRJMUBKMWBMZMV-UHFFFAOYSA-N 335.791 2.781 30 40 EFEB C[C@@]1(c2cc(F)ccc2F)NC(=O)N(Cc2ccc(C#N)cc2)C1=O 5791457 VAMVHONUYMMVCN-SFHVURJKSA-N 341.317 2.804 30 40 EFEB C=CCn1c(C)nnc1S[C@H](C)C(=O)Nc1ccc(N(C)C)cc1 12635472 NUABDRNHTJGMBF-GFCCVEGCSA-N 345.472 2.958 30 40 EFEB N#Cc1c(NC(=O)CCN2CCC(O)CC2)sc2c1CCCCC2 16338378 KWENCDDMYJPWGY-UHFFFAOYSA-N 347.484 2.674 30 40 EFEB O=C(c1ccc(-n2cccn2)c(C#Cc2ccccn2)c1)N1CCCC1 19399822 JBRFIGOIYNPOPV-UHFFFAOYSA-N 342.402 2.903 30 40 EFEB CCOC(=O)C1=C(O)CC(C#N)(C#N)C(C#N)(C#N)[C@@H]1c1ccccc1 100722564 BJLOFUVMRYGLJT-MRXNPFEDSA-N 346.346 2.616 30 40 EFEB COc1ccc([C@@H]2C(C(C)=O)=C(O)C(=O)N2Cc2cccnc2)cc1 78007 BCHQLIFQFCPGHF-QGZVFWFLSA-N 338.363 2.575 30 40 EFEB biogenic CN(C)c1ccc(/C=C2/C(=O)c3ccccc3S(=O)(=O)N2C)cc1 101378872 YQXLTDLNIYNUCT-VBKFSLOCSA-N 342.420 2.611 30 40 EFEB Cc1csc([C@@H](C#N)C(=O)COC(=O)c2c(F)cccc2F)n1 6606028 DCCCKVSSKOOOQX-VIFPVBQESA-N 336.319 2.763 30 40 EFEB C=C(Cl)CSc1nc2cc(S(N)(=O)=O)ccc2n1CC 6977270 UBEUNFHUKYBVME-UHFFFAOYSA-N 331.850 2.548 30 40 EFEB CC(C)N(Cc1ccc(C#N)cc1)C(=O)c1ccc(N2CCCC2)nn1 69698993 FWXABPJKYFYTJZ-UHFFFAOYSA-N 349.438 2.999 30 40 EFEB Cc1noc(NS(=O)(=O)c2ccc(/N=N/C(C#N)C#N)cc2)c1C 104123278 RIYSDCJUWHSFHK-ISLYRVAYSA-N 344.356 2.592 30 40 EFEB N#Cc1cccc(C(=O)N2CCC(C(=O)c3ccc(O)cc3)CC2)c1 22416577 SXUIIZNYRXFSEW-UHFFFAOYSA-N 334.375 2.999 30 40 EFEB C=CCN1C(=O)c2ccccc2N[C@H]1c1cc(O)c(O)c(OC)c1 12534330 KTYVTJXVWQSAQC-QGZVFWFLSA-N 326.352 2.859 30 40 EFEB Cc1c(C#N)c(NC(=O)CN2CCOC[C@@H]2C)n(C2CCCC2)c1C 26452171 ZSKIDCHCYPLXIE-ZDUSSCGKSA-N 344.459 2.751 30 40 EFEB N#C[C@H](C(=O)C1=NO[C@H](c2ccccc2)C1)c1nnc2n1CCCCC2 58267298 AJNBREJZRUERRR-ZBFHGGJFSA-N 349.394 2.698 30 40 EFEB Cc1cccc(-n2ncc3c(=O)n(Cc4ccc(C#N)cc4)cnc32)c1 6786944 QYHLQCGSLZVKOQ-UHFFFAOYSA-N 341.374 2.811 30 40 EFEB C=CCN1CCN(c2nccn3nc(-c4cccc(OC)c4)cc23)CC1 67284937 YRJBLCHGHFEQEV-UHFFFAOYSA-N 349.438 2.713 30 40 EFEB C#CCOc1ccc(F)cc1NC(=O)CCc1c(C)nn(C)c1C 96423526 MJZIFCYHMVGEMH-UHFFFAOYSA-N 329.375 2.759 30 40 EFEB CCn1cc(S(=O)(=O)/N=C(\O)[C@@H](C)Cc2ccc(C)cc2)cn1 97049060 WLIHNNBCLBOXSU-ZDUSSCGKSA-N 335.429 2.735 30 40 EFEB C/N=C(/NCc1noc(C)n1)N[C@H](C)c1ccc(OCC(C)C)cc1 95975817 LKZCEQPIEADGAT-CYBMUJFWSA-N 345.447 2.839 30 40 EFEB N#CC1(C#N)[C@H](c2ccccn2)O[C@@]23CCCC[C@H]2[C@]1(C#N)C(=N)O3 4689582 OTQRLNCCPUJYEO-LBTBCDHLSA-N 333.351 2.590 30 40 EFEB Cc1cc(Br)ccc1S(=O)(=O)N(C)C1(C#N)CCC1 128965535 VLHYTFAMFDLEGA-UHFFFAOYSA-N 343.246 2.824 30 40 EFEB CC/C=C(\C)C(=O)[C@@H](C#N)c1ccc(S(=O)(=O)N(CC)CC)cn1 98009505 ZSYHBMJBMCVBNY-NRUITVPNSA-N 349.456 2.645 30 40 EFEB COc1cc(Br)c(CNc2cnc(C#N)cn2)cc1OC 97096764 RGAVNJGUVXLRPK-UHFFFAOYSA-N 349.188 2.740 30 40 EFEB CCN(C(=O)Cn1cnc(C#N)c1C#N)c1cccc2ccccc12 97379951 ITPSZUVGLSYGKO-UHFFFAOYSA-N 329.363 2.833 30 40 EFEB N#C[C@@H]1CN(C(=O)c2cc(Cl)ccn2)CCN1Cc1ccccc1 84536103 SMXMDLHQRZJKQZ-MRXNPFEDSA-N 340.814 2.585 30 40 EFEB N#CC1CCN(S(=O)(=O)c2ccc(Br)cc2F)CC1 97163090 WUNHNXZVJIWKEQ-UHFFFAOYSA-N 347.209 2.512 30 40 EFEB N#Cc1cccc(N2CCC(COc3ccc(C4CC4)nn3)CC2)n1 1775996133 WSCYBEQRWDNJKT-UHFFFAOYSA-N 335.411 2.916 30 40 EFEB CCN(C(C)=O)c1nc(/C=C2/Oc3cc(O)ccc3C2=O)cs1 96794580 NDEQOISLIUZGER-MKMNVTDBSA-N 330.365 2.838 30 40 EFEB C#Cc1cccc(NC(=O)CN(C)C(=O)CCc2ccccc2F)c1 48362945 NSRQGVDKDDFGDO-UHFFFAOYSA-N 338.382 2.837 30 40 EFEB C=C(C)COc1nc(N2CCOCC2)c2c(c1C#N)CC(C)(C)OC2 71283874 ACRBHFPTPZWNBW-UHFFFAOYSA-N 343.427 2.596 30 40 EFEB CC/N=C(/NCc1cc(C)on1)NCC(C)(C)CC1CCOCC1 97022029 DPVOGUNBSCBZJD-UHFFFAOYSA-N 336.480 2.881 30 40 EFEB CN(C)[C@H](CNC(=O)NCc1ccc(C#N)cc1F)c1ccsc1 78758524 SIRKRJURJIMZMY-MRXNPFEDSA-N 346.431 2.861 30 40 EFEB Cc1ccc(NS(=O)(=O)c2cc(C#N)ccc2C)cc1C(=O)O 73353689 VDCDKWFZXXKTOD-UHFFFAOYSA-N 330.365 2.674 30 40 EFEB C#CCn1cc(CN(C)C(=O)N[C@H]2C[C@H]2c2cccc(Cl)c2)cn1 89364871 JPEVDOCIDBIFTQ-IRXDYDNUSA-N 342.830 2.867 30 40 EFEB CCOC[C@]1(C#N)[C@H](c2cccc(Cl)c2)[C@@H]1S(=O)(=O)CC 218388408 FIHVIQPACHMBLS-QLFBSQMISA-N 327.833 2.787 30 40 EFEB C[C@@H](C#N)CNC(=O)N[C@H](C)Cc1ccc(F)c(Br)c1 96500868 OVCKFIBSNIBZHZ-VHSXEESVSA-N 342.212 2.978 30 40 EFEB CC1=C(C(=O)OC(C)C)[C@H](c2ccccc2Cl)N/C(=N/C#N)N1 95115777 WAZZFBVWFZUTPH-AWEZNQCLSA-N 332.791 2.637 30 40 EFEB CC(=O)C1=C(O)C(=O)N(Cc2ccco2)[C@H]1c1ccc(N(C)C)cc1 53499 GSDMKDWCXJRFOI-KRWDZBQOSA-N 340.379 2.830 30 40 EFEB Cn1ccnc1C(=O)[C@H](C#N)C(=O)[C@@H]1C[C@@H]1c1ccc(Cl)cc1 101735961 FFUSCMCEDZLZGD-MGPQQGTHSA-N 327.771 2.769 30 40 EFEB N#Cc1cccnc1NCc1ccc(N2CCC(O)CC2)c(F)c1 52457563 JIFLRNCYCJRHMQ-UHFFFAOYSA-N 326.375 2.666 30 40 EFEB C/N=C1\S[C@@H](C(=O)Nc2ccc(Cl)c(Cl)c2)CC(=O)N1C 2727792 PPXZPYAQYODHOV-JITTUONFSA-N 346.239 2.882 30 40 EFEB CC12C3[C@H]4C5/C(=N/Nc6ccc([N+](=O)[O-])cc6[N+](=O)[O-])C([C@H]41)[C@H]2[C@H]53 104280717 XMICSROKPRPLRR-IZJPBYMXSA-N 326.312 2.659 30 40 EFEB C=CCNC(=O)COc1ccc(NC(=O)c2ccccc2OC)cc1 8184608 DPIRKAZWIJIGPH-UHFFFAOYSA-N 340.379 2.629 30 40 EFEB N#Cc1ccccc1/C=C/C(=O)[C@H](C#N)c1nnc2n1CCCCC2 58267339 MWFDWYDISKVDRT-SCOAYWHSSA-N 331.379 2.766 30 40 EFEB N#Cc1c(F)cccc1N1CCN(Cc2cn3ccsc3n2)CC1 69380502 YDDYWPHTQIMMAK-UHFFFAOYSA-N 341.415 2.729 30 40 EFEB CC(C)OC(=O)[C@H](C)Sc1nc(-c2ccccc2)c(C#N)c(=O)[nH]1 5238266 YNWLWHVCHIXBGT-NSHDSACASA-N 343.408 2.741 30 40 EFEB CCCOc1c(Cl)cc(C(=O)N2CCOC[C@@H]2C#N)cc1OC 76042275 DNDROUSCEVXKMN-LBPRGKRZSA-N 338.791 2.502 30 40 EFEB CN1CCC(N(Cc2ccco2)C(=O)c2cc(C#N)cs2)CC1 84074296 WTWCBVLHXQSQTC-UHFFFAOYSA-N 329.425 2.949 30 40 EFEB CCC[C@H]1SCCN1C(=O)c1ccc(-n2ncc(C#N)c2N)cc1 72288347 TYPSJLFCWUVBFZ-OAHLLOKOSA-N 341.440 2.641 30 40 EFEB C=CCN1C(=O)S/C(=C\c2ccc(N3CCOCC3)c(F)c2)C1=O 409124792 LSEAIIWQNQMBJU-PTNGSMBKSA-N 348.399 2.885 30 40 EFEB N#C[C@@]1(CO)[C@@H](S(=O)(=O)c2ccccc2)[C@@H]1c1cccc(Cl)c1 218363716 IOGHZKOBTKSAEG-ULQDDVLXSA-N 347.823 2.782 30 40 EFEB O=C(/C=C/c1ccc2c(c1)OCCO2)c1cc([N+](=O)[O-])ccc1O 49597444 HHOODMSZEWJBGK-DAFODLJHSA-N 327.292 2.968 30 40 EFEB N#C[C@@H](c1c(F)cccc1Cl)N1CCC[C@@H](N2CCNC2=O)C1 195531713 ZUKZGPQEDHQONG-RISCZKNCSA-N 336.798 2.533 30 40 EFEB CCn1c(Cc2ccccc2O)nnc1N1Cc2ccc(C#N)cc2C1 597289738 GPGGGDNLDVGKTF-UHFFFAOYSA-N 345.406 2.986 30 40 EFEB N#Cc1cc(CSc2nc(=O)cc(O)n2C2CCCC2)ccn1 618143982 LCUFJACEOIDWOH-UHFFFAOYSA-N 328.397 2.623 30 40 EFEB N#Cc1c(F)cccc1NCC1CCN(C(=O)C(F)(F)F)CC1 84339095 HATVSZFBFGXGJJ-UHFFFAOYSA-N 329.297 2.910 30 40 EFEB C#CCCC1(CCC(=O)N[C@@H](C(=O)O)c2cc(C)c(O)c(C)c2)N=N1 1616030542 CMJIABAFMDAIDG-OAHLLOKOSA-N 343.383 2.607 30 40 EFEB N#Cc1ccnc(OC[C@H]2CCCN(C(=O)C3CC(F)(F)C3)C2)c1 1775995557 SUHTZLKSIBVOFR-ZDUSSCGKSA-N 335.354 2.616 30 40 EFEB N#Cc1ccc(/C=C/C(=O)NCCN2CCc3ccccc3C2)cc1 30319225 BRNZITNOALPPRN-MDZDMXLPSA-N 331.419 2.746 30 40 EFEB N#Cc1ccccc1COc1ccc(NC(=O)Cn2cccn2)cc1 40135325 ACPVOVVNKBPQAJ-UHFFFAOYSA-N 332.363 2.972 30 40 EFEB CC/C(Nc1ccccc1N)=C1/C(=O)CC(C)(C)[C@@H](C(=O)OC)C1=O 100157743 UEGQRJPREUTJPV-ASNKMWSDSA-N 344.411 2.702 30 40 EFEB O=C(O)Cc1s/c(=N/N=C\c2ccncc2)[nH]c1-c1ccccc1 31903804 FVDQXHCLRPAMTR-ODLFYWEKSA-N 338.392 2.700 30 40 EFEB COC(=O)[C@H](C#N)c1nc2ccccc2nc1N1C[C@@H](C)C[C@H](C)C1 550745 ORUOZITUZVUTOH-MELADBBJSA-N 338.411 2.892 30 40 EFEB CC(C)Sc1ncccc1C(=O)NCCNc1ncccc1C#N 53219757 KFTHQTFBYADBBA-UHFFFAOYSA-N 341.440 2.691 30 40 EFEB CCCCC[C@@H](C)NC(=O)CSc1nc(N)c(C#N)cc1C#N 23584645 MOHMYOBSKDJEIB-LLVKDONJSA-N 331.445 2.584 30 40 EFEB CCc1nc(CN2CCN(c3ncc(C#N)cc3Cl)CC2)cs1 58343603 OELVNXFQPQDCGD-UHFFFAOYSA-N 347.875 2.948 30 40 EFEB Cc1nnc(=O)[nH]c1N/N=C/c1c(Cl)ccc(Cl)c1Cl 3947130 GXUFPFKLINZYLQ-SYZQJQIISA-N 332.578 2.880 30 40 EFEB N#Cc1ccc(NCC(=O)Nc2ccc(Br)cc2)nc1 49321407 TXMNWVYMKZDRAP-UHFFFAOYSA-N 331.173 2.766 30 40 EFEB COc1ccc(CN2C(=O)/C(=N\O)c3cccc(C)c32)cc1OC 5015272 XWUKHHVGRTZTGF-MNDPQUGUSA-N 326.352 2.737 30 40 EFEB N#Cc1ccc(N2CCC(C(=O)Nc3nc4ccccc4[nH]3)CC2)nc1 14048489 SIGPQCVNXBMWNI-UHFFFAOYSA-N 346.394 2.685 30 40 EFEB Cc1nn(CCOc2cccc(Br)c2)c(=O)c(C#N)c1C 7025198 QEJRQXMGLHHEFA-UHFFFAOYSA-N 348.200 2.573 30 40 EFEB C[C@H](NC(=O)NCCNc1cccc(F)c1C#N)c1nccs1 71879979 HNMWDLDREIQMBS-JTQLQIEISA-N 333.392 2.626 30 40 EFEB COC(=O)c1cc(C#N)c(=O)n(CCCc2ccc(Cl)cc2)c1 76019310 OWNOKZUBPNCYAX-UHFFFAOYSA-N 330.771 2.793 30 40 EFEB C=C(Br)CN(C)C1CCN(CCc2ccccn2)CC1 89335315 ZNXZSKFFYQINBC-UHFFFAOYSA-N 338.293 2.929 30 40 EFEB O=C(NCC#Cc1cccc(C(F)(F)F)c1)NCCc1ccncc1 89774500 YDCKHICAUOQRDA-UHFFFAOYSA-N 347.340 2.994 30 40 EFEB CCOc1cc(/C=N/NCc2ccccc2OC)cc([N+](=O)[O-])c1O 20761579 SIGQVAOGZQWLNU-VCHYOVAHSA-N 345.355 2.831 30 40 EFEB COC(=O)[C@H](CNC(=O)C(C)(C)C#N)Cc1ccc2ccccc2c1 79051472 APTLRARPMRYDKL-KRWDZBQOSA-N 338.407 2.837 30 40 EFEB N#Cc1cccnc1OC1CCN(C(=O)NCc2cccs2)CC1 96102880 WRNBWIHKOCCPDD-UHFFFAOYSA-N 342.424 2.768 30 40 EFEB N#CCCCS(=O)(=O)N[C@H]1CCCOc2cc(Cl)ccc21 96492909 BIONPDPBCJBAKI-ZDUSSCGKSA-N 328.821 2.777 30 40 EFEB N#Cc1ccnc(N2CCC[C@H](NCc3ccccc3)C2)c1[N+](=O)[O-] 96472302 COWVQIYLNWXBFF-INIZCTEOSA-N 337.383 2.620 30 40 EFEB COc1ccc(C(=O)C2=C(O)C(=O)N[C@H]2c2ccccc2)cc1OC 5408810 NNJUHKCWTCQXTI-INIZCTEOSA-N 339.347 2.570 30 40 EFEB O=C1CCCC2=C1[C@H](c1ccccc1[N+](=O)[O-])c1c(O)n[nH]c1N2 18195477 VOBUVHUSAJQPOI-LBPRGKRZSA-N 326.312 2.588 30 40 EFEB CC[C@@H](OCCN[C@@H](C(N)=O)c1ccc(C#N)cc1)c1ccccc1 593181704 DNWSRBQKNMCBRQ-RTBURBONSA-N 337.423 2.842 30 40 EFEB C=CCn1c(=S)[nH]c2cc(C(=O)NCc3ccco3)ccc2c1=O 3631266 YYYBTACFQRMBLM-UHFFFAOYSA-N 341.392 2.768 30 40 EFEB C=CCSc1nc(=O)c2c(n1C)NC(=O)C[C@H]2c1ccccc1F 4944604 UTTWXGDLZBIVBU-NSHDSACASA-N 345.399 2.672 30 40 EFEB CN1CCc2nc(NC(=O)CCc3ccc(C#N)cc3)sc2C1 24615770 FQRZBUBESRYFDT-UHFFFAOYSA-N 326.425 2.574 30 40 EFEB C=CCN(C)S(=O)(=O)c1ccc(NCc2ccc(C#N)cc2)cc1 55863490 PSRZZCBTYKVZGH-UHFFFAOYSA-N 341.436 2.977 30 40 EFEB C=CCNC(=O)c1ccccc1NC(=O)c1cccc(OC)c1OC 68742725 KLCHTEAMCRWWPM-UHFFFAOYSA-N 340.379 2.872 30 40 EFEB Cc1ccc(S(=O)(=O)OC[C@]2(C)COc3ccccc3O2)cc1 39049979 OUKLGVNVWONEEY-KRWDZBQOSA-N 334.393 2.930 30 40 EFEB CCNC(=S)/N=C(\NCc1ccccc1)Nc1nc(C)cc(C)n1 5274185 VCQYVVCKAKQXAM-UHFFFAOYSA-N 342.472 2.546 30 40 EFEB Cc1nc(N=C2NCN(Cc3ccccc3)CN2)nc2ccccc12 19324134 WVGUUTOVXGPTTI-UHFFFAOYSA-N 332.411 2.536 30 40 EFEB N#Cc1ccsc1NC(=O)CSc1nnc(NC2CC2)s1 7577530 JWBOUCUBAJNDDU-UHFFFAOYSA-N 337.455 2.776 30 40 EFEB N#Cc1ccc(SCCC(=O)Nc2ccc(CC(N)=O)cc2)cc1 69368065 IQQXAQNPCASKOA-UHFFFAOYSA-N 339.420 2.707 30 40 EFEB N#Cc1ccc(NS(=O)(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)cc1 78938507 RWQSMALJCAXLPL-UHFFFAOYSA-N 342.336 2.749 30 40 EFEB Cc1ccc(/N=C/c2ccc(OCC(=O)N3CCOCC3)cc2)cc1 409230043 AYESQQAZIFSYIJ-KGENOOAVSA-N 338.407 2.983 30 40 EFEB C[C@@H](Sc1cc(C#N)ccn1)C(=O)NCCc1ccc(F)cc1 77905655 VYRVGUGPFBQBED-GFCCVEGCSA-N 329.400 2.932 30 40 EFEB Cc1ccc(S(=O)(=O)/N=C(\O)CCCn2cccn2)cc1Cl 80298659 BANFALFEYKDTDN-UHFFFAOYSA-N 341.820 2.971 30 40 EFEB Cn1c(CCCNC(=O)COc2ccccc2C#N)nc2ccccc21 96411682 BZENTOQNXFIRKH-UHFFFAOYSA-N 348.406 2.573 30 40 EFEB C=CCN(C(=O)c1ccc(OC)c(-n2cnnn2)c1)c1ccccc1 96500733 SIXOMIDNXMXYNC-UHFFFAOYSA-N 335.367 2.504 30 40 EFEB CC[C@@H](C#N)S(=O)(=O)N(C)Cc1sccc1Br 95439778 PSKOCLOCBKXSIM-QMMMGPOBSA-N 337.264 2.574 30 40 EFEB CC/N=C1\S/C(=C\c2ccc(OCC(=O)OC)cc2)C(=O)N1CC 5499226 AYANPGWZTWBRHW-GVXDGLBUSA-N 348.424 2.551 30 40 EFEB CNC(=O)c1c(NC(=O)c2ccc(C#N)cc2)sc2c1CCC2 5055690 IYVBQBPQUOVJAQ-UHFFFAOYSA-N 325.393 2.720 30 40 EFEB O=C(/C=C/c1cnc(N2CCOCC2)nc1)c1cccc(Cl)c1 59404753 UBEUGJFLRQEIJP-SNAWJCMRSA-N 329.787 2.863 30 40 EFEB COc1ccc([C@H]2C3=C(CCCC3=O)Nc3[nH]nc(O)c32)c(OC)c1 12347384 AQZLMWUGKJMWOO-AWEZNQCLSA-N 341.367 2.697 30 40 EFEB COc1ccccc1NC(=S)N/N=C/c1ccc2c(c1)OCCO2 3224205 ZKZGDAYUVLOJOH-WOJGMQOQSA-N 343.408 2.787 30 40 EFEB CC1(C)CN(C(=O)c2occc2COc2cccc(C#N)c2)CCO1 69415137 UOKVCMASZIRFOW-UHFFFAOYSA-N 340.379 2.981 30 40 EFEB COc1ccccc1-c1n[nH]c(/N=C(\O)CCNC(=O)C(C)(C)C)n1 64490141 KKXAKETYZFZQOX-UHFFFAOYSA-N 345.403 2.621 30 40 EFEB Cc1nc(C)n(C[C@@H]2CCCCN2CCOc2ccccc2C#N)n1 69875150 LASDBFAUGHDJKU-SFHVURJKSA-N 339.443 2.700 30 40 EFEB C=CCNC(=O)c1ccc(S(=O)(=O)N(CC)c2ccccc2)cc1 6510272 YGVPQIPZVZRKFY-UHFFFAOYSA-N 344.436 2.818 30 40 EFEB C=CCn1c(=O)n(C2CCCCC2)c(=O)c2cc(OC)c(OC)cc21 6759388 ZZFIJLFROGMKEI-UHFFFAOYSA-N 344.411 2.872 30 40 EFEB COc1cc(/C=C2\Oc3cc(O)ccc3C2=O)cc2c1OCCO2 8764763 XURFTPFINOLREX-NSIKDUERSA-N 326.304 2.788 30 40 EFEB biogenic CC(=O)C1=C(O)C(=O)N(CCCCCC(=O)O)[C@@H]1c1ccccc1F 18209477 PBOUNIDMOFWXRA-MRXNPFEDSA-N 349.358 2.755 30 40 EFEB CC1(C)Cc2c(C#N)c(N)n(Cc3ccncc3)c(=S)c2CO1 9418997 XUNJCESIWHFPMS-UHFFFAOYSA-N 326.425 2.966 30 40 EFEB CC/N=C(\NCC[C@@H]1CCCO1)NC[C@@H]1CCO[C@@H]1C(C)(C)C 97011094 GPOXKQKDPGILJQ-JYJNAYRXSA-N 325.497 2.562 30 40 EFEB C[C@@](C#N)(COc1ccc(F)c(F)c1)NC(=O)c1cncc(F)c1 97228164 DMRHYBROOQUHOQ-MRXNPFEDSA-N 335.285 2.590 30 40 EFEB CNCCCc1n[nH]c(NC(=O)c2ccc3nc(C)ccc3c2)c1C#N 89663705 DASSDFLPCLWALC-UHFFFAOYSA-N 348.410 2.542 30 40 EFEB CC(=O)N[C@@]1(c2nc(C)cs2)CCN(Cc2cc(C#N)cs2)C1 548345946 ZUNGDMNRFGIWBL-INIZCTEOSA-N 346.481 2.622 30 40 EFEB CN1CCN(C[C@@H](C#N)Cc2cc(-c3ccccc3Cl)on2)CC1 96319413 DXRIJRWXZCZAHA-CQSZACIVSA-N 344.846 2.925 30 40 EFEB COc1ccccc1OCC#CCNC(=O)[C@@H](C)Oc1ccccc1 90610371 XLWGNISCOIWEAE-MRXNPFEDSA-N 339.391 2.661 30 40 EFEB C=C(C)CN(CC)C(=O)Nc1cccc(CN2CCC[C@@H]2C(N)=O)c1 69569010 VNYUGHGTFLPRCM-QGZVFWFLSA-N 344.459 2.566 30 40 EFEB CCOC(=O)Cc1ccc(N/C(C)=C2\C(=O)C=C(C)OC2=O)cc1 101638618 DMRVHTRREGGNJW-SFQUDFHCSA-N 329.352 2.508 30 40 EFEB Cc1nc(CC(=O)N2CCCN(c3ccc(C#N)cc3)CC2)cs1 46848369 XRAIQUNSZUYSEE-UHFFFAOYSA-N 340.452 2.605 30 40 EFEB COc1ccc([N+](=O)[O-])cc1NCC(=O)Nc1ccc(C#N)cc1 7952728 AYHDURMQUQZZGW-UHFFFAOYSA-N 326.312 2.526 30 40 EFEB N#Cc1ccc(CN2CCCN(C(=O)CCc3cccnc3)CC2)cc1 23753260 WOHFNNWSRUYECV-UHFFFAOYSA-N 348.450 2.620 30 40 EFEB Cc1nc(S[C@@H](C)C(=O)NC(=O)NCC(C)C)c(C#N)c(C)c1C 12543255 GNEVYBGHGKHQBS-ZDUSSCGKSA-N 348.472 2.841 30 40 EFEB CC/N=C1\S/C(=C/c2cc3c(cc2[N+](=O)[O-])OCO3)C(=O)N1CC 59104107 RHAJFACJGVCJTG-MUIWQUGZSA-N 349.368 2.636 30 40 EFEB N#C[C@H](C(=O)[C@H]1CC(c2ccccc2)=NO1)c1nc2ccccc2[nH]1 48813588 RVNZSZNUYHKOIJ-CXAGYDPISA-N 330.347 2.932 30 40 EFEB C#CCOc1cccc(NC(=O)NC[C@](C)(O)c2cccs2)c1 96418070 OIQCXSOKUBPDJL-KRWDZBQOSA-N 330.409 2.789 30 40 EFEB N#Cc1nc(NC2CCN(C(=O)c3ccncc3)CC2)sc1Cl 521398568 QHIRZVOPMCIBQM-UHFFFAOYSA-N 347.831 2.780 30 40 EFEB COc1ccccc1C/C(=N/O)c1ccc(OCC(C)=O)cc1O 31814963 JOWORLQFGFGYRM-MNDPQUGUSA-N 329.352 2.790 30 40 EFEB CN(C)CCCNC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 97941877 LSTORYFJUHQATM-UHFFFAOYSA-N 348.209 2.523 30 40 EFEB Cc1ccc(N2CCC[C@@H](NCc3ccc(C#N)cc3F)C2)nn1 70037079 GQQNJBPJDZOSOK-MRXNPFEDSA-N 325.391 2.554 30 40 EFEB CC(C)OC(=O)CSc1nc2cc3c(cc2cc1C#N)OCO3 1355169 JQGRFEXKKGQFJN-UHFFFAOYSA-N 330.365 2.879 30 40 EFEB Cc1ccc(Oc2ccc(NC(=O)Cn3cnc(C#N)n3)cc2)cc1 21914453 DRSVKFWGYKBHJI-UHFFFAOYSA-N 333.351 2.889 30 40 EFEB N#Cc1cnn(-c2nnc(-c3ccccc3)c(-c3ccccc3)n2)c1N 61719624 CGUXIYVWCBWKBG-UHFFFAOYSA-N 339.362 2.845 30 40 EFEB C[C@@H](CNC(=O)c1ccc(-n2ncc(C#N)c2N)cc1)c1ccccc1 65522470 HTMCCNWIYNANNO-AWEZNQCLSA-N 345.406 2.860 30 40 EFEB Cc1nc(N=C2NCN([C@@H]3CCCC[C@@H]3C)CN2)nc2ccccc12 19324302 NEEOQUZPWWKPOF-SUMWQHHRSA-N 338.459 2.914 30 40 EFEB CCOCCCC(=O)N[C@H]1CCCN(c2ccc(C#N)cc2F)C1 68532126 RWQRKURLRIFZQB-HNNXBMFYSA-N 333.407 2.599 30 40 EFEB Cc1nnc([C@H](C)N2CCCN(Cc3ccc(C#N)cc3)CC2)o1 71819431 IEUMKUQOAVYORI-AWEZNQCLSA-N 325.416 2.519 30 40 EFEB CN1C(=O)C[C@@H](C(=O)Nc2cccc(C#N)c2)[C@H]1c1ccc(F)cc1 72242291 AZMRXVGVAXJSGI-SJLPKXTDSA-N 337.354 2.855 30 40 EFEB N#Cc1c(NC(=O)[C@@H]2C[C@H]2c2cccc(F)c2)nc2n1CCS2 78789149 OSOSMXXYKBQVJD-NWDGAFQWSA-N 328.372 2.742 30 40 EFEB Cc1ccc(NC(=S)/C(=N\NC(N)=S)c2ccccc2)cc1 68572234 HCEWIYNUDBQYOK-RGEXLXHISA-N 328.466 2.972 30 40 EFEB N#CCCC[C@H](NC(=O)N1CC(F)(F)C[C@@H]1CO)c1ccccc1 590942167 FKFXRNGYNCXXLC-CABCVRRESA-N 337.370 2.833 30 40 EFEB C=CCOc1ccccc1C(=O)N1CCC[C@@H](n2ccnn2)CC1 585141638 WKNOFEPTASUWBH-OAHLLOKOSA-N 326.400 2.710 30 40 EFEB C[C@@]1(c2ccccc2)NC(=O)N(/N=C/C2=Cc3ccccc3OC2)C1=O 54280694 UFGVKPOZIOYZCU-JLDPKJTDSA-N 347.374 2.915 30 40 EFEB N#Cc1ccc(CN2CCN(c3cc(C(F)(F)F)ncn3)CC2)cc1 1203905429 MLANPKKIAYMORV-UHFFFAOYSA-N 347.344 2.689 30 40 EFEB CN(CCOc1ccccc1F)CC(=O)Nc1sccc1C#N 15046915 UARGCQHYXPOACY-UHFFFAOYSA-N 333.388 2.708 30 40 EFEB Cc1ccnc(OC[C@@]23CCC[C@H]2CN(c2ccc(C#N)nc2)C3)n1 1888866960 IQCMWYVSHFCGHI-KXBFYZLASA-N 335.411 2.737 30 40 EFEB CCNc1nnc(SCCC(=O)Nc2ccccc2C#N)s1 24900659 BQFNMEWXEDBDSF-UHFFFAOYSA-N 333.442 2.962 30 40 EFEB Cc1ccc(S(=O)(=O)CC(=O)Nc2sc(C)c(C)c2C#N)cc1 4570336 DMZCYPQJFPYHMM-UHFFFAOYSA-N 348.449 2.957 30 40 EFEB C=C(C)C#C[C@](O)(C(=O)O[C@H]1CN2CCC1CC2)C1CCCCC1 1640753 JMTZQKLHHPNCSG-AZUAARDMSA-N 331.456 2.515 30 40 EFEB N#CC[C@H](NC(=O)OCc1ccccc1)C(=O)OCc1ccccc1 1702213 RGPNTUFXRPJOBA-KRWDZBQOSA-N 338.363 2.938 30 40 EFEB CCN(CC)C(=O)[C@@H](Sc1ncc(C#N)c(N)n1)c1ccccc1 17669921 NKQOCSZCLRORSI-AWEZNQCLSA-N 341.440 2.632 30 40 EFEB N#Cc1cccc(OCC(=O)NC[C@@H]2CCN(c3ccccc3)C2)c1 52667667 WYCZTCHVUQPQID-KRWDZBQOSA-N 335.407 2.580 30 40 EFEB COc1ccc(C(=O)[C@H](C#N)C(=O)Nc2cccc(C)c2)cc1OC 103504041 GCXNPQKUHBSTEB-HNNXBMFYSA-N 338.363 2.973 30 40 EFEB COc1ccc([C@@H](NS(=O)(=O)c2cccc(C#N)c2)C2CC2)cc1 12915472 ZQBYBDCSJHQPSI-SFHVURJKSA-N 342.420 2.996 30 40 EFEB C=CCO[C@H](C)/C(O)=N/S(=O)(=O)c1ccccc1Br 49302320 MNVLTVCLTNAYMX-SECBINFHSA-N 348.218 2.685 30 40 EFEB COC(=O)[C@@H](c1cccc(C#N)c1)N1CCO[C@H](c2ccccc2)C1 83133849 RSNUZUDCEVLHRK-RBUKOAKNSA-N 336.391 2.846 30 40 EFEB CC1(C)CC(=O)C2=C(C1)Nc1nnnn1[C@H]2c1ccc(Cl)cc1 9260883 NZVNHBVOFJCIJU-AWEZNQCLSA-N 329.791 2.985 30 40 EFEB CCc1nnc(N2CCc3c(sc(N)c3C#N)C2)c(C#N)c1CC 95411901 NKZNYTZSVAHTBV-UHFFFAOYSA-N 338.440 2.551 30 40 EFEB O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)[C@@H]1C=Nc1ccccc1 408528710 WDBSFTKPEWXPET-CQSZACIVSA-N 341.754 2.942 30 40 EFEB N#Cc1cccc(C(=O)NC[C@@](O)(c2ccccc2)C(F)(F)F)c1 70636352 VALVUMASUPRLFQ-MRXNPFEDSA-N 334.297 2.738 30 40 EFEB C=CCN(c1ccccc1OC)S(=O)(=O)c1ccccc1[N+](=O)[O-] 224748135 ITHFTEFPPPERNO-UHFFFAOYSA-N 348.380 2.985 30 40 EFEB CCc1cnc([C@@H](C)NS(=O)(=O)c2cccc(F)c2C#N)s1 95433373 UWHPMMHHACPFGL-SECBINFHSA-N 339.417 2.756 30 40 EFEB COc1ccc(CCN2CCN(C(=O)c3ccccc3C#N)CC2)cc1 96455621 CTDGYWRCLFRPAD-UHFFFAOYSA-N 349.434 2.567 30 40 EFEB CCOC(=O)c1c(N)c(C#N)c2c(c1C(=O)OCC)CCCCC2 16683072 MNKZPDYMNQEXDE-UHFFFAOYSA-N 330.384 2.763 30 40 EFEB C#CCN1C(=O)[C@@](O)(CC(=O)/C=C/c2ccccc2)c2ccccc21 302031 NPVXMVYAWQSEKD-JNCYCUAHSA-N 331.371 2.527 30 40 EFEB N#Cc1ccc(CN2CCN(c3oc(C4CC4)nc3C#N)CC2)cc1 32827784 OHXZRSDVIVFBFO-UHFFFAOYSA-N 333.395 2.618 30 40 EFEB C=CCNC(=O)[C@H](C)OC(=O)c1ccccc1C(=O)c1cccs1 7851561 SXHOXWKTFBMHJS-LBPRGKRZSA-N 343.404 2.827 30 40 EFEB CC(=O)NC1=C(c2cccc([N+](=O)[O-])c2)C(=O)c2ccccc2C1=O 59500933 SMBJIPALTOMNPA-UHFFFAOYSA-N 336.303 2.521 30 40 EFEB O=C(CON=C1CCC2(CC1)OCCO2)N1CCCc2ccccc21 54231066 UKUWHJTYLZOKQQ-UHFFFAOYSA-N 344.411 2.656 30 40 EFEB C=CCN(C(=O)c1cc2ccccc2s1)[C@H]1CCS(=O)(=O)C1 58406162 RLYBFIGNKQDRDN-ZDUSSCGKSA-N 335.450 2.717 30 40 EFEB N#Cc1ccc(CNC[C@H](c2ccc(F)cc2)N2CCOCC2)cc1 48324778 HXJCASYDLQZKNN-HXUWFJFHSA-N 339.414 2.860 30 40 EFEB Cc1nc(C)n(C[C@H]2CCCN2CCCOc2ccc(C#N)cc2)n1 69510924 FYMAPXGEILEVIG-GOSISDBHSA-N 339.443 2.700 30 40 EFEB N#Cc1ccccc1OCCN1CC[C@H](CNc2ncccc2C#N)C1 65512090 YTMPJMPOXPMJGJ-MRXNPFEDSA-N 347.422 2.638 30 40 EFEB Cc1[nH]c2ccccc2c1CCNC(=O)C(=O)Nc1cccc(C#N)c1 65623411 ICYRDHQRTWKFMQ-UHFFFAOYSA-N 346.390 2.645 30 40 EFEB CCc1nc2ccccc2n1CC(=O)N(CCC#N)Cc1cccnc1 65621066 WJYTYPFCCAIDHG-UHFFFAOYSA-N 347.422 2.936 30 40 EFEB C=CCNc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1[N+](=O)[O-] 6821349 VNNLDJDBBGHFDS-UHFFFAOYSA-N 339.417 2.613 30 40 EFEB CN(C[C@H]1COc2ccccc2O1)c1ccc([N+](=O)[O-])cc1C#N 6821600 ZEOONZFTIHUXFC-AWEZNQCLSA-N 325.324 2.743 30 40 EFEB N#Cc1cccc(S(=O)(=O)Nc2cccc(Cn3cccn3)c2)c1 31722505 YPXBZUVIDYPXFS-UHFFFAOYSA-N 338.392 2.604 30 40 EFEB CC/N=C(\NCc1nc(C)no1)NC[C@H](C)c1ccc(F)c(F)c1 96450229 RLNXWWAILNAHBI-JTQLQIEISA-N 337.374 2.515 30 40 EFEB N#Cc1cc(N[C@@H]2CCCC[C@H]2N2CCOCC2)ccc1[N+](=O)[O-] 96503210 UWPAXIVQYQPGCQ-NVXWUHKLSA-N 330.388 2.522 30 40 EFEB CCN(C(=O)C1CCN(c2oc(C)nc2C#N)CC1)c1cccnc1 332276912 GQELXQHYCPOXDF-UHFFFAOYSA-N 339.399 2.519 30 40 EFEB C=CC[C@@H](CC)NC(=O)Nc1ccccc1N(C)S(C)(=O)=O 281446417 SDFAZYYVASVLCQ-GFCCVEGCSA-N 325.434 2.559 30 40 EFEB COc1ccc(/C=C/C(=O)c2ccccc(=O)c2O)c(OC)c1OC 6404075 QHVYEBPVLMQIFC-CSKARUKUSA-N 342.347 2.674 30 40 EFEB O=C(Nc1ccc(F)cc1)[C@H]1CCCN1/C=C/C(=O)C(F)(F)F 4175682 YHNOXTCMWPXZLX-YPUOHESYSA-N 330.281 2.874 30 40 EFEB N#Cc1ccc(NC[C@H](c2ccc(F)cc2)N2CCOCC2)nc1 40480089 LKOMNUAAMRNBAD-QGZVFWFLSA-N 326.375 2.578 30 40 EFEB N#C[C@@H](C(=O)Nc1ccccn1)C(=O)c1ccc(-n2cccc2)c(F)c1 100830532 VQKQFYQBXNAZEC-CQSZACIVSA-N 348.337 2.973 30 40 EFEB CC(=O)[C@H]1C[C@H](O)[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3C[C@@H](O)[C@]12C 4081238 LCDAMWASKLSANR-VJKOAXELSA-N 346.467 2.665 30 40 EFEB biogenic Cc1c(CCO)sc[n+]1CC(=O)O[C@H]1C[C@H](C)CC[C@@H]1C(C)C 4750924 PXEDQFWOBVMMCP-BMFZPTHFSA-N 340.509 2.883 30 40 EFEB O=[N+]([O-])c1ccc(N/N=C/c2ccc(N3CCOCC3)s2)cc1 20754448 MOVIHOGUTGTZFZ-LFIBNONCSA-N 332.385 2.939 30 40 EFEB C=C(C)COc1cccc(NC(=O)C(=O)NCc2ccc(C)nc2)c1 65613803 NYSMZQYLWYYONS-UHFFFAOYSA-N 339.395 2.600 30 40 EFEB C=CCNC(=O)c1cccc(N2C(=O)[C@H]3CC[C@@](C)(C2=O)C3(C)C)c1 408721234 FRPJRLCNLSLDHT-QRWLVFNGSA-N 340.423 2.918 30 40 EFEB CC(C)[C@@H]1CCCC[C@@H]1NC(=O)C(=O)Nc1ccc(F)c(C#N)c1 71799754 RZMIDIPCEHKVFU-HOCLYGCPSA-N 331.391 2.967 30 40 EFEB C[C@@H](O/N=C(/N)c1nccc2ccccc12)C(=O)Nc1ccccc1 72281940 FLYWSVYIECIEIQ-CYBMUJFWSA-N 334.379 2.899 30 40 EFEB CN(C)C(=O)[C@H]1CC[C@H](CNc2cc(C#N)ccc2C(F)(F)F)O1 97163664 ZAHCDGHUOYTQJE-BXUZGUMPSA-N 341.333 2.625 30 40 EFEB Cc1ccc(C#N)cc1S(=O)(=O)N(C)[C@@H](CCO)c1ccccc1 95433277 UUXHKXRDNMXRAN-KRWDZBQOSA-N 344.436 2.611 30 40 EFEB COCCOc1ccc(CNC(=O)Nc2ccc(C#N)cc2)cc1 31097659 TXICHRHAKMLIHA-UHFFFAOYSA-N 325.368 2.905 30 40 EFEB CN(Cc1cc(Br)c(Br)o1)C(=O)CC#N 225397004 WTNSROOHCRJKDG-UHFFFAOYSA-N 335.983 2.677 30 40 EFEB CSc1nc(N[C@H](C)C(=O)O)c(C#N)c(-c2ccc(C)cc2)n1 57750354 ZRWVFTVYDCLQDG-SNVBAGLBSA-N 328.397 2.931 30 40 EFEB C#Cc1cccc(N(C(=O)CCn2cc([N+](=O)[O-])nc2C)C(C)C)c1 69583392 RWJMLGNDLUQKAZ-UHFFFAOYSA-N 340.383 2.913 30 40 EFEB CCOC(=O)/C(=N/Nc1ccc(Br)cc1)N1CCCC1 3169584 SYFKLYVXOIZCND-LGMDPLHJSA-N 340.221 2.833 30 40 EFEB Cc1ccc(C)c(N2C(=O)N(CC#N)c3ccccc3S2(=O)=O)c1 1889010344 NUFGZKWUTZFLLE-UHFFFAOYSA-N 341.392 2.962 30 40 EFEB N#Cc1cccc(C(=O)N2CCC[C@]3(C2)OC(=O)c2ccccc23)c1 211111125 YGBOOZNBAZPIFT-HXUWFJFHSA-N 332.359 2.860 30 40 EFEB Cc1nnc(N/N=C2/C(O)=Nc3c(Cl)cc(Cl)cc32)nc1O 4136504 GYAXVFVPQACJID-UHFFFAOYSA-N 339.142 2.610 30 40 EFEB O=S(=O)(/N=C(\O)[C@H]1COc2ccccc21)c1ccc2c(c1)CCC2 73087452 CXRBIXQHIGZWFY-INIZCTEOSA-N 343.404 2.997 30 40 EFEB CC(C)[C@@H](NC(=O)CN(CCC#N)C1CCOCC1)c1ccccc1 70009105 HIMALDFGRGAPNF-HXUWFJFHSA-N 343.471 2.895 30 40 EFEB N#Cc1c(N)n(Cc2ccc3c(c2)OCO3)c2nc3ccccc3nc12 499809 HGBUFXNTABFIPJ-UHFFFAOYSA-N 343.346 2.815 30 40 EFEB CS(=O)(=O)c1cccc(OCCCOc2ccc(C#N)cc2)c1 60814921 OSNCSAVCQZTWOO-UHFFFAOYSA-N 331.393 2.810 30 40 EFEB CCOc1ccc(/C=C/C(=O)C(C(N)=O)=C2SCCS2)cc1 3342812 GEIPKNORJKDHCD-VMPITWQZSA-N 335.450 2.845 30 40 EFEB N#CCCN(C(=O)COC(=O)c1cccnc1Cl)c1ccccc1 3397124 ITSULPDYVKMEGC-UHFFFAOYSA-N 343.770 2.839 30 40 EFEB O=[N+]([O-])c1ccc(N/N=C/c2ccc3c(c2)OCCO3)c([N+](=O)[O-])c1 4348947 XOWOOWNOEKFJSE-CXUHLZMHSA-N 344.283 2.720 30 40 EFEB Cc1cc(C)c2c(OCC(=O)Nc3cc(C#N)ccc3C)nn(C)c2n1 67821656 KPRSDNIWJUSEHN-UHFFFAOYSA-N 349.394 2.783 30 40 EFEB C=CCO[C@@H](C)C(=O)Nc1ccc(Cc2nnc3ccccn23)cc1 71894396 ZAAOIKALGAMVCY-AWEZNQCLSA-N 336.395 2.850 30 40 EFEB Cc1c(CO/N=C(\N)c2ccc(N(C)C)cc2)cccc1[N+](=O)[O-] 79863000 FRBBPTYGYURBEA-UHFFFAOYSA-N 328.372 2.806 30 40 EFEB Cc1cccc2cc(C#N)c(NCCNC(=O)c3cccnc3)nc12 35312294 OJCDPCJLYXBNEF-UHFFFAOYSA-N 331.379 2.652 30 40 EFEB Cc1ccc([C@@H]2[C@H](S(=O)(=O)c3ccc(C)cc3)[C@]2(C#N)CO)cc1 218346723 HGWPRNMHYSLDSG-CEXWTWQISA-N 341.432 2.745 30 40 EFEB N#Cc1cc(NC[C@H]2COC3(CCOCC3)O2)ccc1C(F)(F)F 96503221 FPKQSCKLQHXFJE-ZDUSSCGKSA-N 342.317 2.911 30 40 EFEB CC/N=C(/NCc1c(C)noc1C)NC[C@H]1CCO[C@@H]1C(C)(C)C 95406337 FARYDZNIZZEAAF-ZBFHGGJFSA-N 336.480 2.798 30 40 EFEB COc1cc(C#N)ccc1OCC(=O)c1ccc2c(c1)OCCCO2 19016010 YOVOXHXMIHSXKV-UHFFFAOYSA-N 339.347 2.990 30 40 EFEB CC(C)[C@](C)(C#N)NC(=O)CSc1nnc(-c2cccs2)o1 5973765 SVDLSESOVAULFC-AWEZNQCLSA-N 336.442 2.945 30 40 EFEB C=CCNC(=O)[C@H](C)Sc1nnc(-c2ccoc2C)n1CC=C 7172199 IYIYTUXESZNCHN-LBPRGKRZSA-N 332.429 2.815 30 40 EFEB C=CCOc1ccc(/C=C2\SC(=S)N([C@@H](C)C(=O)O)C2=O)cc1 1867940 KHJGKIAEUCHFBJ-AVMBBCFPSA-N 349.433 2.926 30 40 EFEB N#Cc1ccc(NC(=O)N2CCC[C@H]2c2nnc3ccccn23)cc1 40554973 AKNMOTKXTRZMER-HNNXBMFYSA-N 332.367 2.970 30 40 EFEB N#Cc1ccccc1OCCN1CCNC(=O)C[C@@H]1c1ccccc1 52837081 YLGLTZPZPMYNKM-GOSISDBHSA-N 335.407 2.500 30 40 EFEB COC[C@@H](C)NC(=O)[C@H](C#N)C(=O)c1ccc(-c2ccccc2)cc1 103502981 CDUVJFJKSXSVKJ-RDTXWAMCSA-N 336.391 2.827 30 40 EFEB N#Cc1cccnc1NCCNC(=O)Nc1nc2ccccc2s1 47115013 OXHAOTSPFPHJFK-UHFFFAOYSA-N 338.396 2.797 30 40 EFEB CCc1nc(NC(=O)CCc2c(C)[nH]c(=O)c(C#N)c2C)sc1C 47424710 VODMRBWJLVSLQF-UHFFFAOYSA-N 344.440 2.762 30 40 EFEB Cc1c(C(=O)OCc2cc(O)n3ncc(C#N)c3n2)oc2ccccc12 36396290 CAIBDLPJGCXTEZ-UHFFFAOYSA-N 348.318 2.718 30 40 EFEB COc1ccc(O[C@@H](C)/C(O)=N/S(=O)(=O)c2cccs2)cc1 48448271 SSHQMVDYLLLWOP-JTQLQIEISA-N 341.410 2.869 30 40 EFEB C=CCSCC(=O)NCCc1coc(-c2ccc(OC)cc2)n1 69452874 DHQZWWDIBDBLKN-UHFFFAOYSA-N 332.425 2.928 30 40 EFEB C=CCNC(=O)[C@H](C)N1CCC(c2nc(-c3ccccc3)no2)CC1 69509930 ZBXCRRVMMZAYHN-AWEZNQCLSA-N 340.427 2.607 30 40 EFEB COCc1ccccc1/C(O)=N/S(=O)(=O)c1ccc(OC)c(C)c1 66886952 IFJOVUFQKYYFDH-UHFFFAOYSA-N 349.408 2.844 30 40 EFEB C#CCOc1cc(F)ccc1NC(=O)Nc1cnn(CC(F)F)c1 72550029 AVZBLAUJKFUEFI-UHFFFAOYSA-N 338.289 2.943 30 40 EFEB N#Cc1ccc(C[S@](=O)Cc2noc(Cc3ccccc3)n2)cc1 84541492 AEFCYTXWEQRLCX-XMMPIXPASA-N 337.404 2.981 30 40 EFEB N#Cc1c(F)cccc1S(=O)(=O)N[C@@H](c1nccs1)C1CC1 95433240 UUQCBQAKVHWTSD-CYBMUJFWSA-N 337.401 2.583 30 40 EFEB C=CCN1C(=O)/C(=C\Nc2ccccc2C(=O)OC)SC1=S 11667063 VFJIXUKEDAIYBU-FMIVXFBMSA-N 334.422 2.773 30 40 EFEB C=C1CC[C@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5 1770 WJBLNOPPDWQMCH-SEVLPDGMSA-N 339.435 2.513 30 40 EFEB biogenic,in-vitro COC(=O)[C@H]1C(=O)C2=C(C[C@H]1C)NC(=O)C[C@H]2c1ccc(Cl)cc1 4915828 CGHDKDJSZUBWGM-MURWCNHISA-N 347.798 2.596 30 40 EFEB Cc1cc(C(=O)[C@@H](C#N)C(=O)NC2CC2)c(C)n1Cc1cccs1 103504794 VGQJMTJKVNCKNL-MRXNPFEDSA-N 341.436 2.816 30 40 EFEB C=C(C)C[C@@H]1N(c2ccccc2F)C(=O)[C@H]2[C@@H](C(=O)O)[C@H]3C=C[C@@]21O3 100634576 VSBXQTUZEZYYDS-TVEAVKIZSA-N 343.354 2.532 30 40 EFEB COc1ccc([C@H]2CCN(S(=O)(=O)c3ccccc3C#N)C2)cc1 58180174 FDALSCURDOXJIE-INIZCTEOSA-N 342.420 2.745 30 40 EFEB CC(C)CCN(C)CC(=O)Nc1c(C#N)cnn1-c1ccccc1 58341818 XZZRPSDDHVQAKL-UHFFFAOYSA-N 325.416 2.660 30 40 EFEB Cc1ccc(NC(=N/C(N)=N\[N+](=O)[O-])Nc2ccc(C)cc2)cc1 18141438 SBGLPRPTUYMWJH-UHFFFAOYSA-N 326.360 2.690 30 40 EFEB N#Cc1ccnc(S[C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)c1 67429400 IZKCTKLAYZNUFM-AWEZNQCLSA-N 340.364 2.759 30 40 EFEB N#CC1(NC(=O)CN(Cc2ccco2)Cc2ccco2)CCCC1 7726584 VHDVJSLMZMMSAY-UHFFFAOYSA-N 327.384 2.827 30 40 EFEB C=CCNc1nc(C(=O)OC[C@H]2COc3ccccc3O2)cs1 7977451 NYUKTOWUAXELND-LLVKDONJSA-N 332.381 2.738 30 40 EFEB Cc1cc(C(=O)O)ccc1/N=C/c1cn(CC(N)=O)c2ccccc12 409386678 WNPQKANJCMQDKH-ZVBGSRNCSA-N 335.363 2.884 30 40 EFEB COCCN(CCC#N)C(=O)Nc1ccc(Br)c(C)n1 128592643 MWYJCZKBRFVWQM-UHFFFAOYSA-N 341.209 2.547 30 40 EFEB N#C[C@H](C(=O)c1cccc(-c2nc[nH]n2)c1)/C(O)=N/Cc1ccccc1 330033364 ZPPJDXCWLXAUQX-MRXNPFEDSA-N 345.362 2.951 30 40 EFEB C#Cc1cccc(N(Cc2ccco2)C(=O)CCN2CCOC2=O)c1 69741707 NLAUXXIQARXCIL-UHFFFAOYSA-N 338.363 2.636 30 40 EFEB C=CCCCS(=O)(=O)Nc1c(Cl)nn(C)c1C(F)(F)F 1615548158 BVTITBGISHDKOR-UHFFFAOYSA-N 331.747 2.800 30 40 EFEB CCc1ccc(/C=C/C(=O)OCC(=O)N[C@](C)(C#N)C(C)C)cc1 7777159 RIFKOTDEXKQIOO-GNISGLHKSA-N 328.412 2.860 30 40 EFEB CCc1c(C)sc(NC(=O)C2CCN(C(=O)N(C)C)CC2)c1C#N 68677518 UKMGTZOBYGRJDD-UHFFFAOYSA-N 348.472 2.823 30 40 EFEB COCCCN/C(=N/[C@H](C)c1cccs1)NCC[C@@H]1CCCO1 75583309 FJDCCHBKVMYBCN-CABCVRRESA-N 339.505 2.950 30 40 EFEB N#Cc1ccc(NC(=O)N2CCN(CC(F)F)CC2)cc1Cl 61746655 IBJMKAWQDQNRQY-UHFFFAOYSA-N 328.750 2.626 30 40 EFEB CC(C)Oc1ccc(C#N)cc1NCC(=O)NC1(C#N)CCCC1 58140043 HDPSUAKSOUQNGD-UHFFFAOYSA-N 326.400 2.710 30 40 EFEB Cc1ccc(CN(C)C(=O)C2CCN(c3ccc(C#N)cn3)CC2)o1 44894397 MHRCDLLUSMFYLC-UHFFFAOYSA-N 338.411 2.730 30 40 EFEB N#Cc1ccc(CS(=O)(=O)Cc2nc(-c3ccccc3)no2)cc1 44909245 NWMZEESVWLQKPC-UHFFFAOYSA-N 339.376 2.723 30 40 EFEB COc1ccc(/C=N/Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1O 5360999 NLGSYZHLKMBOTB-OVCLIPMQSA-N 332.272 2.663 30 40 EFEB C=CCSc1ccccc1NC(=O)c1cnc2n(c1=O)CCS2 14111806 ULOWCJXKBIRUEY-UHFFFAOYSA-N 345.449 2.879 30 40 EFEB CC(=O)c1ccc(C#N)cc1N1CCCN(C(=O)c2ccncc2)CC1 96013709 ATCNQQJRBQFZJC-UHFFFAOYSA-N 348.406 2.508 30 40 EFEB N#CCC(=O)Nc1cccc(Oc2ncc(Br)cn2)c1 97163942 OLQYNNIUCJWSAW-UHFFFAOYSA-N 333.145 2.884 30 40 EFEB Cc1ccc(C(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)c(O)c1 74673929 DLDCDXWBBYYVID-KRWDZBQOSA-N 335.407 2.551 30 40 EFEB C=CCOc1cc2oc(=O)c(C(=O)O)cc2cc1Br 72219788 VQGLWLHGYDVQEV-UHFFFAOYSA-N 325.114 2.819 30 40 EFEB C=CCOc1ccc(N(C)S(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 225014768 YXXAFVPIDZPLDS-UHFFFAOYSA-N 348.380 2.985 30 40 EFEB Cc1ccccc1NC(=O)CN1CCC[C@](C#N)(c2ccccn2)C1 585094518 XHMFYSYZICBRBJ-HXUWFJFHSA-N 334.423 2.886 30 40 EFEB COc1ccc(C2=N/C(=N\Nc3ccc(F)cc3)C(=O)O2)cc1OC 12371249 ASUPBNKMDCZIHU-QNGOZBTKSA-N 343.314 2.572 30 40 EFEB COCCN(CCC#N)S(=O)(=O)/C=C/c1ccc(Cl)cc1 69740851 NPEVZRVESJAZPT-KPKJPENVSA-N 328.821 2.503 30 40 EFEB C#CCNC(=O)[C@H](C)Sc1cc(C)c(C#N)c2nc3ccccc3n12 32904868 UAFCYJWWOJFQOR-ZDUSSCGKSA-N 348.431 2.898 30 40 EFEB CC1(C)Cc2c(C#N)c(SCC(=O)O)nc(N3CCCC3)c2CO1 547255 DPAPZZYDOREVAS-UHFFFAOYSA-N 347.440 2.581 30 40 EFEB C=CCN1C(=O)/C(=N/N=C/c2ccc3c(c2)OCCO3)c2ccccc21 33414095 QMVCWTJBTASWCH-WVZQHPIYSA-N 347.374 2.814 30 40 EFEB C=CCCO[C@@H](C)C(=O)NCc1ccc(OC[C@@H]2CCCO2)cc1 58282433 CGXNKSNLURKCNC-YJBOKZPZSA-N 333.428 2.842 30 40 EFEB N#Cc1ccc(OCCN2CC[C@H](CNc3ncccc3C#N)C2)cc1 65496573 JWNHGQUPWAHAAY-QGZVFWFLSA-N 347.422 2.638 30 40 EFEB CN(CC(=O)N[C@@H](C#N)c1ccccc1F)c1ccccc1[N+](=O)[O-] 72302856 QGLYJRWPMPQZAD-AWEZNQCLSA-N 342.330 2.551 30 40 EFEB N#Cc1cc([N+](=O)[O-])ccc1N[C@@H](Cn1cncn1)c1ccccc1 76063455 MSUACWVDOJAZOR-KRWDZBQOSA-N 334.339 2.911 30 40 EFEB Cc1nn(C)c(C)c1[C@@H]1COCCN1C(=O)Nc1cccc(C#N)c1 95983598 BQVKTAMIVWZYGZ-INIZCTEOSA-N 339.399 2.514 30 40 EFEB C[C@H]1CC[C@H](CCC(=O)NC2CCN(c3ccc(C#N)cc3)CC2)O1 95962351 RTRGVDVJRSEEBO-HNAYVOBHSA-N 341.455 2.991 30 40 EFEB CCNC(=S)N/N=C/c1ccc(-c2cccc(C(=O)O)c2C)o1 409373820 WMRQOOYLBOGHQQ-GIJQJNRQSA-N 331.397 2.771 30 40 EFEB CC(C)(C)SCC(=O)N1CCN(c2cccc(F)c2C#N)CC1 31400306 WUPRHVIKYZBSSO-UHFFFAOYSA-N 335.448 2.878 30 40 EFEB COC(=O)c1cnn2c1NC1=C(C(=O)CCC1)[C@H]2c1cccs1 44890039 QEKHNUGBDBVKPA-CQSZACIVSA-N 329.381 2.753 30 40 EFEB C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N1CCc2c(cccc2OC)C1 281799699 MMRVTDCCDLKTRS-KDOFPFPSSA-N 330.428 2.744 30 40 EFEB Cc1noc([C@H]2CN(Cc3ccc(Cl)cc3C#N)C[C@@H](C)O2)n1 599608302 RLAAQTFNCGQOQY-MEBBXXQBSA-N 332.791 2.865 30 40 EFEB C[C@@H](CC#N)N(C)S(=O)(=O)c1ccc(F)c(Br)c1 96436429 LIRXVHOEJIXNCV-QMMMGPOBSA-N 335.198 2.511 30 40 EFEB CCOc1cc(/C=N/c2cccc(N(C)S(C)(=O)=O)c2)ccc1O 19855657 WHJSYPCUADIMAG-LDADJPATSA-N 348.424 2.937 30 40 EFEB N#Cc1ccc(CN2CCC(Cn3nc4c(cc3=O)CCC4)CC2)cc1 585502891 YBPTZTIFEGCKAV-UHFFFAOYSA-N 348.450 2.516 30 40 EFEB C=CCO/N=C(/CCC)C1=C(NC)CC(C)(C)[C@H](C(=O)OC)C1=O 100668515 WIPMKZYRWQSAJZ-DKNZLLBESA-N 336.432 2.607 30 40 EFEB C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](CN4CCN(CC)CC4)[C@H]3C[C@@H]12 20112149 IRYDAUQTHJLBSW-WVXKDWSHSA-N 346.515 2.938 30 40 EFEB biogenic N#CCN1CCC(CNC(=O)[C@@H]2CCCC[C@@H]2C(F)(F)F)CC1 89817940 KYVRTKAMWADWMK-KGLIPLIRSA-N 331.382 2.707 30 40 EFEB CC(=O)Oc1ccc(CC(=O)[C@@H](C#N)c2nc3ccccc3n2C)cc1 12575569 MVAVKXVDMOMMRO-MRXNPFEDSA-N 347.374 2.918 30 40 EFEB CCN1CCN(C(=O)[C@H](C)Sc2nc(C)c(C)c(C)c2C#N)CC1 25606347 CNDDRIZVVXIYSJ-HNNXBMFYSA-N 346.500 2.523 30 40 EFEB N#C[C@H](C1CCCCC1)N1CCN(C(=O)CCc2nccs2)CC1 57235660 WWCBTONYXFCJCF-MRXNPFEDSA-N 346.500 2.692 30 40 EFEB N#Cc1c(COC(=O)C[C@H]2C(=O)Nc3ccccc32)cn2ccccc12 58349565 KMHXFSLLUGRXTN-OAHLLOKOSA-N 345.358 2.980 30 40 EFEB Cc1ccc(-c2nc(CO/N=C(\N)Cc3csc(C)n3)no2)cc1 58424173 GJBNREKTMICKSO-UHFFFAOYSA-N 343.412 2.841 30 40 EFEB CCCOc1ccc(-c2nc(C#N)c(N3CCN(C)CC3)o2)cc1 2437260 UFGZZLAIIZLAOH-UHFFFAOYSA-N 326.400 2.754 30 40 EFEB CSC/C(O)=N/S(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1 48514066 BAFXLIGZDFRCJF-UHFFFAOYSA-N 338.332 2.585 30 40 EFEB CC(C)c1noc([C@@H](C)N2CCN(Cc3ccccc3C#N)CC2)n1 69385074 INRVLIMFONIHMP-OAHLLOKOSA-N 339.443 2.943 30 40 EFEB C#Cc1cccc(NC(=O)CNC(=O)c2cc(C)n(C3CC3)c2C)c1 65000092 PIKHYCCJRZOQKF-UHFFFAOYSA-N 335.407 2.790 30 40 EFEB C=CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccc(OCC)cc1 6355272 IOPFRJGAKHTNDJ-HNNXBMFYSA-N 332.425 2.607 30 40 EFEB Cc1cc(C)n(C[C@H]2CCCN2CC(=O)Nc2sccc2C#N)n1 69919458 MRNWCFXZYCXTHY-OAHLLOKOSA-N 343.456 2.536 30 40 EFEB N#Cc1cccc(NC(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc23)c1 69658036 IZYDIMVZOFAFCX-UHFFFAOYSA-N 334.291 2.560 30 40 EFEB N#Cc1cnn(-c2ccc(C(=O)N[C@H]3CCc4ccccc43)cc2)c1N 66240000 CSHXYVOUAHYHKC-SFHVURJKSA-N 343.390 2.743 30 40 EFEB CS[C@@H]1CN(c2cc(C#N)cc([N+](=O)[O-])c2C)C[C@H]1N1CCCC1 97163725 SMLYHJGGVQEOJU-IAGOWNOFSA-N 346.456 2.791 30 40 EFEB CCn1nccc1C(=O)OC1CCN(Cc2ccccc2C#N)CC1 97164138 OFYAPFWDXCQQQK-UHFFFAOYSA-N 338.411 2.596 30 40 EFEB N#Cc1ccsc1N1CC[C@H](Nc2ccc(F)c([N+](=O)[O-])c2)C1=O 95409168 XNQHWATZHFDVJA-LBPRGKRZSA-N 346.343 2.884 30 40 EFEB Cc1cccc(-n2nc(C(=O)O)c(/C=C/c3ccco3)c(C#N)c2=O)c1 409200312 RGTBNZLNRKBTRM-BQYQJAHWSA-N 347.330 2.874 30 40 EFEB COc1cccc(NC(=S)N/N=C/c2ccc(O)c([N+](=O)[O-])c2)c1 34892170 FQPZUNLCWOMPDV-CXUHLZMHSA-N 346.368 2.630 30 40 EFEB CCC(C)(C)[C@@H](O)C(=O)NC1CCC(Oc2ccc(C#N)cn2)CC1 602134825 XVSLHRRYUXWMIT-DQPZFDDXSA-N 345.443 2.557 30 40 EFEB C[C@H]1CO[C@@H](c2ccccc2)CN1S(=O)(=O)c1cccc(C#N)c1 66934639 NQCVIFUTOQVPDB-KBXCAEBGSA-N 342.420 2.709 30 40 EFEB O=[N+]([O-])c1ccc(O)c(/C=N\NC(=S)Nc2ccc(F)cc2)c1 17353094 BBDKZXQRYSBXDP-PXNMLYILSA-N 334.332 2.760 30 40 EFEB O=C(NCC#CCN1CCCCC1)c1cccc(Br)c1 75164753 VZJXOAAKNCZIMC-UHFFFAOYSA-N 335.245 2.668 30 40 EFEB CCCNC(=O)[C@H](C#N)C(=O)[C@H](C)Oc1ccccc1C(F)(F)F 100730485 QNNCAPLTGFUXDS-WDEREUQCSA-N 342.317 2.708 30 40 EFEB N#C[C@H](C(=O)O)C(c1c(Cl)cccc1Cl)[C@H](C#N)C(=O)O 1579516 YPZJRLVFKBMTMP-BQBZGAKWSA-N 327.123 2.526 30 40 EFEB in-vitro N#Cc1cccc(C(=O)N2CCN(C(=O)CC3CCCCC3)CC2)c1 69701381 ZSSIMZBIDLXPEM-UHFFFAOYSA-N 339.439 2.813 30 40 EFEB COc1cc(C#N)ccc1OCC(=O)N[C@H](C)c1ccc(F)cc1 3349954 OHZHNONMPYWEPQ-GFCCVEGCSA-N 328.343 2.962 30 40 EFEB C=CCn1c(C)cc(C(=O)CN2C(=O)N[C@](C)(CCC)C2=O)c1C 48324610 UJOWHDYTMYYZMA-GOSISDBHSA-N 331.416 2.584 30 40 EFEB N#Cc1ccc(CN2CCCN(Cc3nnsc3Cl)CC2)cc1 48374012 LNTDHNGNMARPAP-UHFFFAOYSA-N 347.875 2.771 30 40 EFEB C[C@H](Oc1ccccc1C#N)C(=O)N(CCC#N)Cc1cccnc1 63484999 BLJPJGPLQBAWKB-HNNXBMFYSA-N 334.379 2.663 30 40 EFEB C#CCN(Cc1c(Cl)ccc2cccnc12)[C@@H]1CCS(=O)(=O)C1 65515733 OORNORLZOABFBS-CQSZACIVSA-N 348.855 2.511 30 40 EFEB COc1ccc(N2C[C@H](C(=O)Nc3ccc(C#N)cc3)CC2=O)cc1 8816147 NRWCVGCOQVDIEL-CQSZACIVSA-N 335.363 2.558 30 40 EFEB N#C[C@]1(NC(=O)COc2cc(Cl)cc(Cl)c2)CCSC1 96430805 LTSOJZDPQTVOOS-CYBMUJFWSA-N 331.224 2.888 30 40 EFEB N#Cc1ccc(N2CCC(C(=O)N3CCC[C@@H]3c3ccc[nH]3)CC2)nc1 71818752 QTMFJLNLFTXQGU-GOSISDBHSA-N 349.438 2.861 30 40 EFEB C[C@@H](OC(=O)[C@H]1CCCN(C(=O)C2CC2)C1)c1cccc(C#N)c1 75584560 DNBHXYTZCZCMQB-DYVFJYSZSA-N 326.396 2.811 30 40 EFEB C#Cc1cccc(N(Cc2cccs2)C(=O)CN2CCCC2=O)c1 170846224 YVIWQHJFWYMUFD-UHFFFAOYSA-N 338.432 2.885 30 40 EFEB CCOC[C@@]1(C#N)[C@@H](S(=O)(=O)CC)[C@@H]1c1cccc(Cl)c1 218388556 FIHVIQPACHMBLS-SOUVJXGZSA-N 327.833 2.787 30 40 EFEB C[C@@]1(C(=O)Nc2ccc(C#N)cc2)Oc2ccc(Cl)cc2NC1=O 41549819 LTOCHYUZLCOTBW-KRWDZBQOSA-N 341.754 2.940 30 40 EFEB Cn1cc(C#N)cc1C(=O)OCc1nc(-c2cccc(Cl)c2)no1 81153513 AHUJRMYUVHSAOJ-UHFFFAOYSA-N 342.742 2.957 30 40 EFEB C=CCOC[C@@H]1CCC[C@]12CN(C(=O)c1ccc(C#N)cc1)CCO2 96160896 BPHGLNYYFAJQEH-ICSRJNTNSA-N 340.423 2.772 30 40 EFEB C=CCN1C(=O)CCC12CCC(NC(=O)c1cncc(C)c1)CC2 96228574 JSAFKMZIJJRRTD-UHFFFAOYSA-N 327.428 2.610 30 40 EFEB C[C@H](NC(=O)C1(C#N)CCC1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 95398767 MXDUXAJZYGFETL-KBPBESRZSA-N 335.448 2.832 30 40 EFEB CC(C)OC(=O)C1=C(N)OC2=C(C(=O)CCC2)[C@@H]1c1ccccc1 5381299 CQFXWUGPOBKWQU-HNNXBMFYSA-N 327.380 2.929 30 40 EFEB C[C@](O)(CNC(=O)NCc1ccc(C#N)cc1)c1ccccc1Cl 164089040 JCASQLGFAGZSGE-SFHVURJKSA-N 343.814 2.919 30 40 EFEB COc1ccc(N2CCN(C/C(=N\O)c3ccccc3)CC2)cc1 100346536 KDVQSRCLTZEPEN-FMQUCBEESA-N 325.412 2.696 30 40 EFEB O=C1CN2C(=C1c1nc3ccccc3s1)NC(=O)c1sccc12 102220549 CKDSLDUJLPBFRV-UHFFFAOYSA-N 339.401 2.859 30 40 EFEB CC[C@H](C#N)NC(=O)c1cccc(C)c1I 102353735 ZSRXTBDEGPWYRT-SECBINFHSA-N 328.153 2.632 30 40 EFEB CCOC(=O)C1=C(C)Nc2sc(C#N)c(N)c2[C@@H]1c1cccnc1 496235 TYRCWUDKVWDPKG-CYBMUJFWSA-N 340.408 2.991 30 40 EFEB CCCN1C(=O)[C@](O)(CC(=O)/C=C/c2ccco2)c2ccccc21 565285 XOGKYMODMWWAAN-YXBWYFRISA-N 325.364 2.896 30 40 EFEB N#Cc1cccc(NC(=O)N2CCN(c3ncccc3Cl)CC2)c1 58015303 GSOORFMINNVPCJ-UHFFFAOYSA-N 341.802 2.961 30 40 EFEB C=CCN1C(=O)N/C(=C/c2cc(C)n(-c3ccc(C)cn3)c2C)C1=O 409133482 LBBMCZWZFYBYGE-MHWRWJLKSA-N 336.395 2.876 30 40 EFEB C#CCNC(=O)CS[C@@H](C)c1nc(-c2ccc(C)c(F)c2)no1 58307170 CVWXJZLMNPUUFX-NSHDSACASA-N 333.388 2.728 30 40 EFEB CCOC(=O)Cc1csc(N/N=C\c2ccccc2[N+](=O)[O-])n1 4482778 VUCNNWFDOPBXNH-NVNXTCNLSA-N 334.357 2.603 30 40 EFEB CCOc1cc(/C=N/Nc2nn3cnnc3c3ccccc23)ccc1O 4878641 YDHDGMFTIJVYJZ-VXLYETTFSA-N 348.366 2.828 30 40 EFEB Cc1cc([C@@H]2CCCN2C(=O)[C@@H](C)Oc2cccc(C#N)c2)on1 71827038 RWQZSWSEKKYPTA-CJNGLKHVSA-N 325.368 2.986 30 40 EFEB Cc1c(C(=O)N[C@@H](C#N)C2CC2)cc(Br)cc1[N+](=O)[O-] 97094611 DIOOTLLTHDGIEW-NSHDSACASA-N 338.161 2.698 30 40 EFEB COc1ccc(CN/N=C(\C)c2ccc3c(c2)OCCO3)cc1OC 216056185 XOELWTJDAXAVOR-FYJGNVAPSA-N 342.395 2.989 30 40 EFEB CCc1ccc([C@@H]2[C@H](S(=O)(=O)c3ccccc3)[C@@]2(C#N)CO)cc1 225653723 SQRPMXADNHPHRZ-QYZOEREBSA-N 341.432 2.691 30 40 EFEB C=CCOC[C@@H]1C[C@@H]2OCCN(Cc3ccc4c(c3)OCO4)[C@H]2C1 253377409 WZSSLRDHKPLYIB-BQFCYCMXSA-N 331.412 2.597 30 40 EFEB N#Cc1ccc(C(F)(F)F)nc1N(CCC(N)=O)Cc1ccccc1 95428516 QZWSVPRUDMVGCD-UHFFFAOYSA-N 348.328 2.854 30 40 EFEB COC(=O)c1sc(NC(=O)c2ccccc2[N+](=O)[O-])c(C#N)c1C 1863062 FNLAVNNQIPAOMQ-UHFFFAOYSA-N 345.336 2.875 30 40 EFEB CCCCCc1nnc(/N=C(\O)c2cc([N+](=O)[O-])c[nH]c2=O)s1 24829461 BDNQNANEHZBXJN-UHFFFAOYSA-N 337.361 2.504 30 40 EFEB CN1CCN([C@@H]2CCN(c3ccc(C#N)cc3)C2=O)Cc2ccccc21 69088788 UDSQEIYFHIOXRQ-HXUWFJFHSA-N 346.434 2.616 30 40 EFEB Cc1cc(C(=O)N(C)CCC#N)ccc1I 69844535 PWIXYPJXBVDCFW-UHFFFAOYSA-N 328.153 2.585 30 40 EFEB N#CC1(NC(=O)COC(=O)c2ccccc2C(F)(F)F)CCCC1 5111467 LDENISVBBUATNN-UHFFFAOYSA-N 340.301 2.815 30 40 EFEB N#Cc1cccc(CS(=O)(=O)c2ccc(C(F)(F)F)cn2)c1 78554083 LIGPLPZLPCJIOK-UHFFFAOYSA-N 326.299 2.946 30 40 EFEB Cc1ccc(NC(=O)C[C@H]2S/C(=N\Cc3ccco3)NC2=O)cc1 21224272 IVVALVHEOWTMJF-CQSZACIVSA-N 343.408 2.704 30 40 EFEB N#Cc1ccc(NC(=O)[C@H]2CC(=O)N(C3CCCC3)C2)cc1Cl 6882210 CHVVQTXWDYLNFF-LBPRGKRZSA-N 331.803 2.941 30 40 EFEB CNC(=O)[C@H](C#N)C(=O)c1sc(-c2ccc(C)cc2C)nc1C 103707980 WNMHUGDAMOGLCJ-CYBMUJFWSA-N 327.409 2.804 30 40 EFEB NC[C@@H](O)CC(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F 100237388 PFCGKMUHBNXVEA-VKHMYHEASA-N 343.136 2.800 30 40 EFEB CN(C(=O)COc1nc(-c2ccccc2Cl)no1)C(C)(C)C#N 58325300 GKZWTWGUFJVXFU-UHFFFAOYSA-N 334.763 2.529 30 40 EFEB C[C@H](C#N)CSc1ccccc1NC(=O)CN1CCOC(C)(C)C1 69820348 FBGSWTCAQCXFBO-CQSZACIVSA-N 347.484 2.988 30 40 EFEB Cc1ccccc1-n1c(SCCCC#N)nnc1N1CCOCC1 14094065 UCWKRFKAELQNHK-UHFFFAOYSA-N 343.456 2.808 30 40 EFEB N#Cc1ccc(NC[C@@H]2CCN(CCOc3ccccc3C#N)C2)nc1 65502576 FVUCBJVDWUWWGA-KRWDZBQOSA-N 347.422 2.638 30 40 EFEB Cc1cc(Cl)c(/C(O)=N/S(=O)(=O)Cc2ccon2)cc1C 97081002 KOYQGPNQVZPNKF-UHFFFAOYSA-N 328.777 2.779 30 40 EFEB Cc1cn2c(n1)CC[C@H](NC1CCN(Cc3ccc(C#N)cc3)CC1)C2 97034495 DKAPEEOCSYKIDC-FQEVSTJZSA-N 349.482 2.632 30 40 EFEB N#Cc1cccc(CN[C@H]2CCc3nc(N4CCCC4)ncc3C2)c1 306124408 BPCWFHUZRSLOTM-SFHVURJKSA-N 333.439 2.596 30 40 EFEB C=CCN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccc(OC)cc1 224863363 SKKJDWZBYAIJDI-UHFFFAOYSA-N 348.380 2.985 30 40 EFEB O=S(=O)(Cc1ccon1)/N=C(\O)CCCc1c[nH]c2ccccc12 96446469 WIQBRAIPZOXDAS-UHFFFAOYSA-N 347.396 2.965 30 40 EFEB CSC[C@H]1CCN(S(=O)(=O)c2ccc(Cl)cc2C#N)C1 96428189 VXZIZHUEWLTMBH-JTQLQIEISA-N 330.862 2.585 30 40 EFEB C=CCOC[C@@]12CCCO[C@@H]1CCN(C(=O)Cc1cccs1)C2 96039666 LMPIVUKXTLLTTG-AEFFLSMTSA-N 335.469 2.891 30 40 EFEB Cc1ccccc1-n1nc(C#N)c(N2CCN(c3ccccc3)CC2)n1 256045918 BRMUEVMZCANLDU-UHFFFAOYSA-N 344.422 2.774 30 40 EFEB Cc1ccccc1NC(=O)CN1CCC[C@@](C#N)(c2ccccn2)C1 585094517 XHMFYSYZICBRBJ-FQEVSTJZSA-N 334.423 2.886 30 40 EFEB N#Cc1cccc(OCCN2CCCN(c3nccs3)CC2)c1 58158233 VNXOYJYMDNEFLM-UHFFFAOYSA-N 328.441 2.606 30 40 EFEB C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](CNCCc4c[nH]cn4)[C@H]3C[C@@H]12 12661714 LIPXWZPIPQPEAZ-ZMIKWESLSA-N 343.471 2.856 30 40 EFEB biogenic N#CCCn1cc(C(=O)N2CCOCC2)c(-c2cccc(Cl)c2)n1 4510914 KLLUZBNZRHXXQG-UHFFFAOYSA-N 344.802 2.590 30 40 EFEB C=CCn1c(C)nnc1SCC(=O)Nc1cc([N+](=O)[O-])ccc1C 4936321 BWKZTVNOBHYOJI-UHFFFAOYSA-N 347.400 2.720 30 40 EFEB CN(CCC#N)C(=O)CSc1nnc(Nc2ccccc2)s1 2627038 WWZFURBIUFGYGZ-UHFFFAOYSA-N 333.442 2.746 30 40 EFEB Cc1nc(C(C)(C)C)sc1C(=O)NCCNc1ncccc1C#N 61430414 YYAWBNKKSFTUSO-UHFFFAOYSA-N 343.456 2.858 30 40 EFEB CCOC(=O)c1s/c(=N\N=C\c2ccc(O)cc2OCC)[nH]c1C 59483007 KSJWUPQVPZVBSU-RQZCQDPDSA-N 349.412 2.600 30 40 EFEB C=CCN(CC=C)C(=O)COC(=O)c1cccc(NC(=O)OCC)c1 25135369 LGFMTUVPLRXCFM-UHFFFAOYSA-N 346.383 2.612 30 40 EFEB N#Cc1nc(-c2cccnc2)oc1N1CCN(Cc2ccccc2)CC1 35672110 HPVZKKCKFRDODI-UHFFFAOYSA-N 345.406 2.930 30 40 EFEB CC[C@H](C)/N=C(/N)NC[C@H](c1ccc(OC)cc1)N1CCCCC1 58171454 MENIUUDJORKZGL-MAUKXSAKSA-N 332.492 2.925 30 40 EFEB N#Cc1ccc(NC(=O)Cn2nnc(-c3cccc(Cl)c3)n2)cc1 8279869 QUCDPQCVQAFIHW-UHFFFAOYSA-N 338.758 2.504 30 40 EFEB C[C@H](OC(=O)CCc1ccccc1)C(=O)NC1(C#N)CCCCC1 6375565 LUULIKCMTDENTE-HNNXBMFYSA-N 328.412 2.894 30 40 EFEB C=C(C)CN(CC)C(=O)c1cn(-c2ccc(C(F)(F)F)cn2)nn1 65588135 NWNXEWRHAQJTGU-UHFFFAOYSA-N 339.321 2.719 30 40 EFEB C=CCc1cc(OC)ccc1OCC(=O)Nc1ccc(C(N)=O)cc1 14167846 QBNCNIHZDDCCGB-UHFFFAOYSA-N 340.379 2.540 30 40 EFEB COc1cc(OC)c([N+](=O)[O-])cc1/C=N/Nc1nc2ccccc2[nH]1 5610961 ILXRAKJQQMMKQI-RQZCQDPDSA-N 341.327 2.934 30 40 EFEB Cc1ccc(S(=O)(=O)CCC(=O)Nc2ccc(C#N)cc2)cc1 14908459 OORVWWASINEBOU-UHFFFAOYSA-N 328.393 2.669 30 40 EFEB C=CCNS(=O)(=O)c1ccc(NC(=O)/C=C/c2ccccc2)cc1 6855958 SBHJGPBVALZZQV-MDWZMJQESA-N 342.420 2.803 30 40 EFEB N#Cc1c(SCCC(N)=O)nc2c(c1C(F)(F)F)CCCC2 8991136 SQBQJTBAALJDBA-UHFFFAOYSA-N 329.347 2.818 30 40 EFEB CCOCCO[C@H]1CCN(c2ccc(Br)cc2C#N)C1 96501552 HMUYKYFFHTZXEF-AWEZNQCLSA-N 339.233 2.953 30 40 EFEB CCCS(=O)(=O)[C@@H](C)C(=O)N(Cc1ccc(C#N)cc1)C(C)C 71903376 CKDZRCVIIALXLC-AWEZNQCLSA-N 336.457 2.509 30 40 EFEB C=CCn1c(SCCn2cc(C#N)cn2)nc2ccsc2c1=O 95403410 FQTIKMNJSJUOPV-UHFFFAOYSA-N 343.437 2.504 30 40 EFEB CCOC1(OCC)N=C(N)[C@]2(C#N)[C@H](c3ccccc3Cl)[C@@]12C#N 230041624 CVHHGBAXYMRGOY-CWRNSKLLSA-N 344.802 2.555 30 40 EFEB C/N=C(/NCCc1cn2c(n1)CCCC2)N[C@H](C)c1ccccc1C 73928367 XYUGXHSZKMENRL-MRXNPFEDSA-N 339.487 2.997 30 40 EFEB C[C@H]1C(c2ccc(F)cc2)=[N+]([O-])[C@@](C)(C(=O)c2ccccc2)N1O 3667832 FYCWPWVYFWSEQI-SGTLLEGYSA-N 328.343 2.818 30 40 EFEB C=CCn1c(C)cc(C(=O)COc2ccc(S(C)(=O)=O)cc2)c1C 40460860 INLJTWBKQGJLMI-UHFFFAOYSA-N 347.436 2.956 30 40 EFEB Cc1cccc2cc(C#N)c(SCC(=O)NC[C@H]3CCCO3)nc12 410789 HKLLGDGHTQAYBR-OAHLLOKOSA-N 341.436 2.802 30 40 EFEB N#Cc1ccccc1OCC(=O)Nc1ccc2c(c1)OC(F)(F)O2 4846954 AYBNKQCEZKGNQO-UHFFFAOYSA-N 332.262 2.897 30 40 EFEB C#Cc1cccc(N(Cc2cccs2)C(=O)CS(=O)(=O)CC)c1 69456018 UDNJGDLZMIQQKY-UHFFFAOYSA-N 347.461 2.697 30 40 EFEB N#Cc1cccc(CN2CCC3(CC(NC(=O)c4ccncc4)C3)C2)c1 108535342 ICIUHMZJZMOYDN-UHFFFAOYSA-N 346.434 2.738 30 40 EFEB COc1ccc(/C=C/C(=O)c2cccc(NS(C)(=O)=O)c2)cc1 58161130 WGFZDEYBUNPHPD-DHZHZOJOSA-N 331.393 2.963 30 40 EFEB CCCC(=O)C1=C(N[C@H](C)C(=O)O)C[C@@H](c2ccccc2)CC1=O 101549136 VMAFENFKCPWJBE-TZMCWYRMSA-N 329.396 2.819 30 40 EFEB Cc1cc(NC(=O)c2cccc(CN3CCCC3)c2)n(CCC#N)n1 58332590 CXKJCUHYVPPQMT-UHFFFAOYSA-N 337.427 2.953 30 40 EFEB COc1ccc(O)c(/C=N/N=C(/S)NCCc2ccccc2)c1 3239803 PIPVFDJAVUYZSX-XDHOZWIPSA-N 329.425 2.853 30 40 EFEB N#Cc1ncn(Cc2cc(F)cc3c2O[C@H](c2ccccc2)OC3)n1 14141159 DWFNDVRDQFJYFJ-GOSISDBHSA-N 336.326 2.945 30 40 EFEB C=CCOc1cccc(/C=C2/SC(=S)N(CCC(=O)O)C2=O)c1 4682390 WINIMBKIUTUVHE-JLHYYAGUSA-N 349.433 2.927 30 40 EFEB CC[C@@](C)(O)CNC(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1 66159443 MINIDQXKSRBANV-CQSZACIVSA-N 345.321 2.782 30 40 EFEB CN(CCCc1n[nH]c(N)c1C#N)c1ncnc2c1oc1ccccc12 19309325 OSLMXNNGBMWULD-UHFFFAOYSA-N 347.382 2.622 30 40 EFEB C/N=C(/NCc1nc(C)c(C)o1)N[C@@H]1C[C@H](C)N(c2ccccc2)C1 81210718 DWBXVLYBGVKUCF-XJKSGUPXSA-N 341.459 2.624 30 40 EFEB C[C@@H](CC#N)N(C)C(=O)Cc1cccc(I)c1 89894456 DCPZEZJHHCRTFY-JTQLQIEISA-N 342.180 2.594 30 40 EFEB COc1csc(C(=O)N[C@H](C#N)c2cnn(-c3ccccc3)c2)c1 96446295 GIDNEVHVCMYPTR-OAHLLOKOSA-N 338.392 2.937 30 40 EFEB CN(C)CCN(Cc1cccnc1)C(=O)/C=C/c1cccc(C#N)c1 79050178 PIXKJUVCCSXBOL-CMDGGOBGSA-N 334.423 2.557 30 40 EFEB C=CCN(CC=C)C(=O)c1ccc(Cl)c(NS(C)(=O)=O)c1 79321119 OMSDWWYXQZXWJN-UHFFFAOYSA-N 328.821 2.526 30 40 EFEB N#C[C@]1(C=O)[C@H](c2ccc(Cl)cc2)[C@@H]1S(=O)(=O)c1ccccc1 225659614 OKCXJLPUBDQSNT-IKGGRYGDSA-N 345.807 2.989 30 40 EFEB C#CCn1c2c(c3ccc(OC)c(OC)c3c1=O)C(=O)c1ccccc1-2 604405281 QKMQYMSOCKZZOS-UHFFFAOYSA-N 345.354 2.863 30 40 EFEB biogenic C=CCn1c(=O)c(CCC(=O)O)nc2cc(C(F)(F)F)ccc21 17043836 SDTPXLCOAPPDHC-UHFFFAOYSA-N 326.274 2.619 30 40 EFEB CCc1ccc(S(=O)(=O)/N=C2/S[C@@H](CC)C(=O)N2CC)cc1 4538086 OLNCYIONCJUWAT-ZGTROFRASA-N 340.470 2.668 30 40 EFEB C=CCN1CC[C@]2(CN(C(=O)c3ccc(OC)cc3C)C[C@H]2C)C1=O 1614932386 BTGNJMHGXGHUSB-FOIQADDNSA-N 342.439 2.500 30 40 EFEB C/C(=N/N=C1/NC(=O)[C@@H](CC(=O)O)S1)c1ccc2ccccc2c1 15230039 RLVBMKVIIBPSBY-SAGYFLTASA-N 341.392 2.626 30 40 EFEB N#Cc1ccccc1S(=O)(=O)Nc1cccc(Cn2cccn2)c1 31722501 FMRNXJAXOSWLJR-UHFFFAOYSA-N 338.392 2.604 30 40 EFEB CCS(=O)(=O)c1ccccc1C(=O)OCc1ccccc1C#N 7381211 MSITZJOMKBYEET-UHFFFAOYSA-N 329.377 2.709 30 40 EFEB CCCCCCCCCCOS(=O)(=O)[C@H]1CCS(=O)(=O)C1 100839112 WKHICGGIHXQGSG-AWEZNQCLSA-N 340.507 2.661 30 40 EFEB CCOC(=O)c1c(C)[nH]c(C)c1C(=O)COc1ccc(C#N)cc1 2630221 MTNBESDFPHDDCH-UHFFFAOYSA-N 326.352 2.942 30 40 EFEB C=CCc1ccc(OCC(=O)N2CCO[C@H]3CCCC[C@@H]32)c(OC)c1 46484501 NMUJWWYTKJLXBZ-IRXDYDNUSA-N 345.439 2.973 30 40 EFEB Cn1ncc(N/C=C/C(=O)c2cc(Cl)cc(Cl)c2)c1C(N)=O 2793801 WLLUITLJKGXAJC-NSCUHMNNSA-N 339.182 2.634 30 40 EFEB Cc1cnn(C[C@H]2CCCN2CCC(=O)Nc2sccc2C#N)c1 70040500 UZJVJWUKHIRIIL-OAHLLOKOSA-N 343.456 2.618 30 40 EFEB CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C2CCCC2)c1 43247109 HZJIIIRWHMGKNR-KNTRCKAVSA-N 349.456 2.628 30 40 EFEB COc1cc2c(cc1OC)CCN(C(=O)C1(C#N)CCCC1)CC2 56462320 FNUNMUKWKKMXKW-UHFFFAOYSA-N 328.412 2.715 30 40 EFEB CC/N=C1\S[C@H](CC(=O)Nc2ccccc2CC)C(=O)N1CC 100885182 IDPDWDDFXZVNMB-MGPWXQLLSA-N 333.457 2.917 30 40 EFEB CONC(=O)[C@H](C)Sc1cc(C)c(C#N)c2nc3ccccc3n12 45013700 LHCASPMZHIXNIQ-NSHDSACASA-N 340.408 2.826 30 40 EFEB CCN(CC)[C@H](CNS(=O)(=O)c1ccc(C#N)cc1)c1ccco1 60198807 BSFZWPHDIRFVDB-MRXNPFEDSA-N 347.440 2.513 30 40 EFEB N#Cc1cnc(N2CCN(C(=O)c3cccs3)CC2)c(Cl)c1 71867365 YPOVSVASDFJYQB-UHFFFAOYSA-N 332.816 2.631 30 40 EFEB N#Cc1cccc(CN2CCOC[C@H]2c2nc(-c3cccnc3)c[nH]2)c1 72322056 BBCLVZHBTYUVLO-IBGZPJMESA-N 345.406 2.917 30 40 EFEB biogenic,in-vitro C=C[C@@H]1OCCC[C@H]1C(=O)Nc1ccc(OCC(=O)O)c(Cl)c1 582721873 VLRJJNRLYXEIDC-YPMHNXCESA-N 339.775 2.723 30 40 EFEB C=CCOC[C@@H]1CN(Cc2ccc(OC)cc2)Cc2nccn2C1 96187834 XPQKHEAJIVBJPW-QGZVFWFLSA-N 327.428 2.726 30 40 EFEB COC[C@]1(C#N)[C@H](c2ccc(F)cc2)[C@H]1S(=O)(=O)c1ccccc1 242538656 JAPSKVJVPSFZDR-KZNAEPCWSA-N 345.395 2.922 30 40 EFEB N#Cc1nn(-c2ccccc2F)nc1N1CCN(c2ccccc2)CC1 256049133 YIGWVJBTHVHPQL-UHFFFAOYSA-N 348.385 2.605 30 40 EFEB O=C1CN(/N=C/c2ccc(-c3cccc(C(F)(F)F)c3)o2)C(=O)N1 1567927 VRYHPJFTKIBSCP-FBCYGCLPSA-N 337.257 2.851 30 40 EFEB N#Cc1cc(NCCc2nc3ccccc3[nH]2)c([N+](=O)[O-])cc1C#N 4625630 AQKPAXDQXMHBLG-UHFFFAOYSA-N 332.323 2.869 30 40 EFEB CC(=O)ON1C(=O)c2cccc3c(Br)ccc(c23)C1=O 33163 KKOXUEJZRODZNB-UHFFFAOYSA-N 334.125 2.676 30 40 EFEB N#CCn1c(C(=O)N2CCC[C@@H](n3ccnc3)C2)cc2ccccc21 69660309 WYWAXMRFFBFABP-MRXNPFEDSA-N 333.395 2.839 30 40 EFEB O=[N+]([O-])c1ccccc1/C=N/Nc1nc2ccccc2n2cnnc12 1813027 GGPXYKYCGRHQFA-RQZCQDPDSA-N 333.311 2.632 30 40 EFEB COc1ccc(OC)c([C@@H]2C3=C(C[C@@H](C)CC3=O)Nc3ncnn32)c1 22608049 ORNMVMUVYGUWTE-BMLIUANNSA-N 340.383 2.563 30 40 EFEB COc1cc(C#N)cc(Cl)c1OCc1cccc(OCC(N)=O)c1 63886958 HZSIIJRIYISEPU-UHFFFAOYSA-N 346.770 2.663 30 40 EFEB CCc1nnc(S)n1/N=C/c1ccc(-c2ccccc2C(=O)O)o1 408857444 OESHWJRZUIBPPJ-RQZCQDPDSA-N 342.380 2.970 30 40 EFEB Cc1ccc2c(Cn3nc(C)c(C)c(C#N)c3=O)cc(=O)oc2c1C 7442190 HWVMJGHTVZFTRB-UHFFFAOYSA-N 335.363 2.503 30 40 EFEB COc1ccc(CN(C)C(=O)COc2ccccc2C#N)cc1F 8428928 SISUUUAYNYZCGV-UHFFFAOYSA-N 328.343 2.743 30 40 EFEB C#C[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@H](O)C[C@@]21C 118926173 IMVRRRQPUUOMNB-WMKCGOMXSA-N 326.436 2.629 30 40 EFEB Cc1noc(C)c1S(=O)(=O)/N=C(\O)CO[C@@H]1CCC[C@@H](C)C1 84025699 WFSYCYJTTVHVJD-BXKDBHETSA-N 330.406 2.532 30 40 EFEB C[C@H](CC#N)N(C)C(=O)Cc1csc(-c2ccc3c(c2)OCO3)n1 78420311 UZOLNZGBUVRSDM-LLVKDONJSA-N 343.408 2.842 30 40 EFEB CCCN(Cc1ccc(C#N)cc1)C(=O)Nc1cncnc1N(C)C 97083106 VSYYFZMWHNLLAK-UHFFFAOYSA-N 338.415 2.858 30 40 EFEB CC(=O)[C@H]1CC[C@H]2[C@@H]3C[C@H](O)C4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@]12C 118926372 KDHBHXVDYRGRDL-ZFPRXJIWSA-N 346.467 2.665 30 40 EFEB O=C1C[C@@H](c2ccco2)CC2=C1[C@H](c1ccncc1)n1ncnc1N2 22608669 HPKWNCGHIZOGLA-SJCJKPOMSA-N 333.351 2.682 30 40 EFEB C#CCOc1c(Cl)cc([C@@H]2N[C@@H](C(=O)O)CS2)cc1OCC 408816459 TZTGFSYHILMSKS-BXUZGUMPSA-N 341.816 2.539 30 40 EFEB O=C1[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)N1/N=C/c1cccc(Br)c1 408719455 MONAZXAXVJJJPC-LLDBYHESSA-N 345.196 2.590 30 40 EFEB C=C(C)COc1cccc(C(=O)N2CCN(C(=O)OCC)CC2)c1 219777138 WXUJFLQLTKUGCP-UHFFFAOYSA-N 332.400 2.556 30 40 EFEB Cc1c(/C(O)=N/S(=O)(=O)C[C@@H]2CCCCO2)oc2ccccc12 78979067 QLUXVMIGSLIFPN-LBPRGKRZSA-N 337.397 2.945 30 40 EFEB C=CCN(c1ccc(OC)cc1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 224999361 DKJHPTQVKPSOGG-UHFFFAOYSA-N 348.380 2.985 30 40 EFEB Cc1cccc2c(N3CCN(C(=O)c4ccoc4)CC3)c(C#N)cnc12 96426892 YBZFXOLGIXNTJJ-UHFFFAOYSA-N 346.390 2.970 30 40 EFEB C[C@@H](CC(=O)N1CCN([C@H](C#N)c2ccccc2)CC1)c1ccncc1 97379016 GHSKRBYYJXXIQG-FXAWDEMLSA-N 348.450 2.984 30 40 EFEB CCOC(=O)c1n[nH]c([C@H](CC(C)C)NCc2cccc(C#N)c2)n1 585116613 CRKWSOYRNHHREN-HNNXBMFYSA-N 341.415 2.730 30 40 EFEB O=C1CS/C(=N\N=C\c2ccc3c(c2)OCO3)N1c1ccccc1 16805991 HPIPDSRTWWHXEL-LDRVEFRDSA-N 339.376 2.885 30 40 EFEB Cn1cc(C(=O)OCC(=O)NC2(C#N)CCCCC2)c2ccccc21 5703751 RSZNVKSIKDAHRY-UHFFFAOYSA-N 339.395 2.678 30 40 EFEB CSc1ncc(C#N)c(N2CCC(Oc3nccs3)CC2)n1 2086881807 DOIQDJGKNJXXDE-UHFFFAOYSA-N 333.442 2.574 30 40 EFEB C=C(C)C[C@H]1N(c2ccc(C)cc2)C(=O)[C@@H]2[C@@H](C(=O)O)[C@H]3C=C[C@]21O3 4852379 LCWYHMXNOPUHCS-GFAJBQDWSA-N 339.391 2.701 30 40 EFEB COc1ccc(/C=N/c2c(C)n(C)n(-c3ccccc3)c2=O)c(O)c1 498463 MNGRAYHUNICCON-UDWIEESQSA-N 337.379 2.949 30 40 EFEB CC(=O)N[C@@H](C/C(O)=N/c1nc(C(F)(F)F)n[nH]1)c1ccccc1 26252838 CTXHLLBQWQERFH-JTQLQIEISA-N 341.293 2.679 30 40 EFEB C[C@H]1CC[C@@H](C)N1[C@@H]1CCCN(S(=O)(=O)c2cccc(C#N)c2)C1 58341482 GWUKFLYSNZVKTM-HLLBOEOZSA-N 347.484 2.584 30 40 EFEB Cc1nn(C)c(C)c1C(=O)/C=C/c1cccc(O[C@@H](C)C(=O)O)c1 65593587 AAQQPOKHBSJZOP-XEHSLEBBSA-N 328.368 2.785 30 40 EFEB N#Cc1ccc(C(F)(F)F)c(N2CCOC3(CCOCC3)C2)c1 97096982 MFULACUYIHPZSO-UHFFFAOYSA-N 326.318 2.963 30 40 EFEB Cc1ccccc1-n1nc(C(=O)O)c(/C=C/c2ccco2)c(C#N)c1=O 409206550 WXQLXWPLGJVYKF-CMDGGOBGSA-N 347.330 2.874 30 40 EFEB COC[C@@]1(C#N)[C@H](c2cccc(F)c2)[C@@H]1S(=O)(=O)c1ccccc1 218453435 VNCPVQVZXVUTOD-SQNIBIBYSA-N 345.395 2.922 30 40 EFEB C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3ccccn3)s2)c1 195575563 KVHBWYGXFVQKMT-UHFFFAOYSA-N 349.419 2.656 30 40 EFEB C=CCOC[C@@H]1CC[C@@H]2[C@@H]1OCCN2C(=O)c1cc(F)cc(F)c1 96082479 LHUUFXIRUAJUIQ-JCURWCKSSA-N 337.366 2.787 30 40 EFEB CC(=O)N1CCCCC[C@H]1C1CCN(c2ncccc2C#N)CC1 69818493 KFUSCISVKWIVGH-SFHVURJKSA-N 326.444 2.961 30 40 EFEB N#Cc1ccc(OCCOC(=O)CCCOc2cccnc2)cc1 72305067 RMVJTOHWCKPBBW-UHFFFAOYSA-N 326.352 2.734 30 40 EFEB CC(=O)N[C@@]1(c2nc(C)cs2)CCN(Cc2ccc(C#N)s2)C1 548346156 HHCDCBFICDSLCM-INIZCTEOSA-N 346.481 2.622 30 40 EFEB N#Cc1ccnc(N2CCC(Cn3cnc4ccccc4c3=O)CC2)c1 1776007875 IZPOASAFZJBQLP-UHFFFAOYSA-N 345.406 2.580 30 40 EFEB COc1ccc([C@@H]2CC(=O)NC3=C2C(=O)CC(C)(C)C3)c(OC)c1 100739273 TVWQFNYQRQAZSD-ZDUSSCGKSA-N 329.396 2.951 30 40 EFEB COc1cc(/C=C2/C(=O)ON=C2C)cc(Br)c1OC 100720890 MFNANUQTKJCHCC-RUDMXATFSA-N 326.146 2.782 30 40 EFEB CCCCCCCCCCNC(=O)C[n+]1cccc(C(=O)NC)c1 104131195 MZIXTVQYESPAFS-UHFFFAOYSA-O 334.484 2.591 30 40 EFEB Cc1nc(C)c(C#N)c(SCC(=O)N2CCc3sccc3C2)n1 12815190 PUHMENMDCCSSIV-UHFFFAOYSA-N 344.465 2.704 30 40 EFEB COC(=O)[C@@H](c1cc(F)ccc1F)N(C)C(=O)c1ccc(C#N)cc1 69570905 IKLXGAIBEWJHEL-MRXNPFEDSA-N 344.317 2.823 30 40 EFEB C#Cc1cccc(NC(=O)CNC(=O)c2ccc(OC(F)F)cc2)c1 39547798 XBHBZAPUCAVNDZ-UHFFFAOYSA-N 344.317 2.638 30 40 EFEB Cc1cnn(C[C@@H]2CCCN2C(=O)c2cc3ccccc3n2CC#N)c1 71870000 LNKNMCNWORGBRH-KRWDZBQOSA-N 347.422 2.975 30 40 EFEB COc1cc(/C=C2/Oc3cc(O)ccc3C2=O)c([N+](=O)[O-])cc1O 96930475 CCKXZXCVDFECLG-PJQLUOCWSA-N 329.264 2.631 30 40 EFEB CCS(=O)(=O)Nc1cccc(C(=O)Nc2ccc(CC#N)cc2)c1 29964166 PFBRVERCOUVFNT-UHFFFAOYSA-N 343.408 2.767 30 40 EFEB CCc1nc2ccccc2c(=O)n1N1C[C@]1(C)C#Cc1ccccc1 408821958 AXSIWIKNJYSFIT-BBQAJUCSSA-N 329.403 2.721 30 40 EFEB COc1ccc(S(=O)(=O)N(C)c2ccc(CC#N)cc2)cc1C 224647579 XAGFEYLTFRUXID-UHFFFAOYSA-N 330.409 2.895 30 40 EFEB N#Cc1ccnc(O[C@@H]2CCCN(C(=O)CSC3CCCC3)C2)c1 575604896 DDUIJZUFZRMIBE-OAHLLOKOSA-N 345.468 2.999 30 40 EFEB CCc1c(C)nc(C2CC2)nc1N1CCN(c2ccc(C#N)cn2)CC1 1888860192 UETFKLLODNURMR-UHFFFAOYSA-N 348.454 2.818 30 40 EFEB C=CCN1CC[C@]2(CN(C(=O)/C=C/c3cccs3)C[C@H]2C)C1=O 1614937351 SSCHOZMQZQSWJN-NHVJDYSCSA-N 330.453 2.644 30 40 EFEB C=CCOC[C@H]1CN(Cc2cccc(OC)c2)Cc2nccn2C1 2055713273 RNCBWBCTAQLVIW-KRWDZBQOSA-N 327.428 2.726 30 40 EFEB C[C@H](Oc1ccccc1C#N)C(=O)Nc1ccccc1C(=O)NC1CC1 40504326 MRXQJFRDGVIBSW-ZDUSSCGKSA-N 349.390 2.856 30 40 EFEB O=[N+]([O-])c1ccc(N/N=C/c2ccccc2[N+](=O)[O-])c([N+](=O)[O-])c1 100032238 AYGKPPOWJYTVBQ-RIYZIHGNSA-N 331.244 2.857 30 40 EFEB CC(C)(C)N(Cc1ccccc1)C(=O)COC(=O)CSCC#N 32810045 RCFJKGFKTYTKAN-UHFFFAOYSA-N 334.441 2.614 30 40 EFEB Cc1noc(C)c1CSC/C(O)=N/c1nc(-c2ccccn2)n[nH]1 53524105 IEXUMHODBDHXIU-UHFFFAOYSA-N 344.400 2.993 30 40 EFEB O=S(=O)(/N=C(\O)C=C(C1CC1)C1CC1)c1ccc2c(c1)OCCO2 54423735 WSWVWHYQGSWRIR-UHFFFAOYSA-N 349.408 2.849 30 40 EFEB N#Cc1ccccc1/C=C\C(=O)N1CCC[C@@H]1c1nnc2ccccn12 103344882 KAJNPHNMSYTUBF-QXPKXGMISA-N 343.390 2.978 30 40 EFEB C=CCOC(=O)c1c(N)n(CCCOC)c2nc3ccccc3nc12 2352160 IUOVZGWAQOJVRL-UHFFFAOYSA-N 340.383 2.546 30 40 EFEB N#Cc1cccc(OCCSc2nnnn2Cc2cccs2)c1 48345842 VGMUKDCOWLQNFA-UHFFFAOYSA-N 343.437 2.826 30 40 EFEB CCCCN1C(=O)CC[C@@H](C(=O)OCC#N)[C@H]1c1ccc(OC)cc1 8409667 VITFPOZDWTUQPH-SJLPKXTDSA-N 344.411 2.842 30 40 EFEB C#CCN(Cc1ccc(-c2ccccc2)o1)[C@@H]1CCS(=O)(=O)C1 92192847 VVRUNTUKRCXGJV-MRXNPFEDSA-N 329.421 2.569 30 40 EFEB C=CCn1c(S[C@@H](C)C(=O)NC(C)(C)C)nnc1-c1cccnc1 7171997 HHTDIFDNMNXHQN-LBPRGKRZSA-N 345.472 2.921 30 40 EFEB C[C@@H](OC(=O)c1ccc(C#N)cc1)C(=O)N(C)Cc1cccc(F)c1 7416766 BAOIZHXEFDYVAO-CYBMUJFWSA-N 340.354 2.901 30 40 EFEB COc1cc(C#N)ccc1CN[C@H](C)c1ccc(S(C)(=O)=O)cc1 96490847 SSHDTOFKHVSDOX-CYBMUJFWSA-N 344.436 2.821 30 40 EFEB N#CCCN(CC1CC1)S(=O)(=O)Cc1ccc(Cl)cc1C#N 97046161 VNZUVGYHPAFWLR-UHFFFAOYSA-N 337.832 2.667 30 40 EFEB Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)Nc1nc(C2CC2)cs1 72274705 NFUYIAGAEZPOQV-UHFFFAOYSA-N 342.424 2.769 30 40 EFEB COc1ccc(Cl)cc1[C@@H](CC(C)C)NS(=O)(=O)CC#N 95439711 BAICJSBGKJTVNX-CYBMUJFWSA-N 330.837 2.879 30 40 EFEB C=CCn1c(COc2ccc(Cl)cc2)nnc1SCCO 27532649 ZYLFZMKZOORSKY-UHFFFAOYSA-N 325.821 2.781 30 40 EFEB N#Cc1ccc(CNC(=O)N2CC[C@@H](n3cc(Cl)cn3)C2)cc1F 564636072 NARKXSMUZLTCDH-CQSZACIVSA-N 347.781 2.704 30 40 EFEB C=C(C)CN(CC)C(=O)C(=O)Nc1cccc(-c2ccnc(C)n2)c1 187443649 KVHOLZQQAMMLQE-UHFFFAOYSA-N 338.411 2.815 30 40 EFEB C=CCN1C(=O)CCCC12CCN(C(=O)Cc1cccc(F)c1)CC2 96158601 BMMUYICCZXRACK-UHFFFAOYSA-N 344.430 2.928 30 40 EFEB CCc1ocnc1/C(O)=N/S(=O)(=O)c1cc(F)c(C)cc1F 96474016 DJHQHMHPOIUKIS-UHFFFAOYSA-N 330.312 2.517 30 40 EFEB C=CCN(C(=O)c1ccc(N2C(=O)CCC2=O)cc1)C1CCCC1 55801293 GCACYPOINZUOPP-UHFFFAOYSA-N 326.396 2.911 30 40 EFEB CC1(C)CC(=O)C2=C(C1)Nc1ncnn1[C@H]2c1ccccc1[N+](=O)[O-] 18249679 HSJGGAYRQSYATN-HNNXBMFYSA-N 339.355 2.844 30 40 EFEB CC/N=C1\S[C@H](CC(=O)N[C@H](C)c2ccccc2)C(=O)N1CC 100640132 AMSMDYHRNCZFJL-RECGACTCSA-N 333.457 2.594 30 40 EFEB C=CCNC(=O)[C@H](C)Sc1nnc2ccc(C(F)(F)F)cn12 25357182 LBUDIYJKNMNFMQ-QMMMGPOBSA-N 330.335 2.531 30 40 EFEB CCOc1ccc(S(=O)(=O)/N=C(\O)[C@@H](C)SC)cc1OCC 48494094 FJUZHJJKBZRYFV-SNVBAGLBSA-N 347.458 2.881 30 40 EFEB Cc1noc(C)c1S(=O)(=O)/N=C(\O)c1cccc(OC(F)F)c1 48490109 JNFQCORTJMVBPH-UHFFFAOYSA-N 346.311 2.586 30 40 EFEB COc1ccc(C/C(=N\N)c2ccc(OC)c(OC)c2)cc1OC 13511433 OMBXCDXBYYGBLO-XSFVSMFZSA-N 330.384 2.627 30 40 EFEB Cc1ccc(N(CCC#N)S(=O)(=O)c2ccc(C(=O)O)cc2)cc1 65551748 QSPRBGKIDDWVQO-UHFFFAOYSA-N 344.392 2.802 30 40 EFEB O=C(/C=C1/S/C(=N/C2CC2)N(C2CC2)C1=O)Nc1ccc(F)cc1 4704085 YZONWKAWWKLOCE-NOBJWMCXSA-N 345.399 2.904 30 40 EFEB N#Cc1ccc(NCC(=O)N(Cc2ccco2)C[C@@H]2CCCO2)cc1 95416162 OWIBZEYBECPWFJ-SFHVURJKSA-N 339.395 2.771 30 40 EFEB N#Cc1cccc(OCCNc2ccccc2CN2CCOCC2)c1 95402829 BHJVENUHPYXJEF-UHFFFAOYSA-N 337.423 2.881 30 40 EFEB N#Cc1nccnc1O[C@@H]1CCCN(C(=O)c2cc3ccccc3o2)C1 225482172 RDJNVBLCKLYYMT-CQSZACIVSA-N 348.362 2.778 30 40 EFEB C=C1[C@H]2CC[C@]3([C@@H]1O)[C@H]1C[C@H]4[C@@]5(CCC[C@@]4(C)CN(CC)[C@H]15)[C@H]3[C@H]2O 85489089 OVXLNQAYPUEDSI-LXPUUYNXSA-N 343.511 2.821 30 40 EFEB biogenic,in-vitro C=CCn1c(SCc2nc(C)cc(=O)[nH]2)nnc1-c1ccoc1C 96461249 WNKKHYGIMIAQCY-UHFFFAOYSA-N 343.412 2.717 30 40 EFEB N#Cc1cccc(CN[C@@H]2CCCN(Cc3noc(C4CC4)n3)C2)c1 69699881 WWAMHGQMDBEIGY-QGZVFWFLSA-N 337.427 2.573 30 40 EFEB CC(C)(C)n1cc(C#N)cc1NC(=O)NCCN1CCCCCC1=O 69487072 XCDJOSHCANYMQP-UHFFFAOYSA-N 345.447 2.639 30 40 EFEB Cc1cc(C(=O)[C@H](C#N)C(=O)NC2CC2)c(C)n1Cc1cccs1 103504798 VGQJMTJKVNCKNL-INIZCTEOSA-N 341.436 2.816 30 40 EFEB O=C1C(Br)=CC(Br)=C/C1=N/Br 104184593 IBWZPGGXTGSWNY-YHYXMXQVSA-N 343.800 2.878 30 40 EFEB C(=N/Nc1nc(N2CCCC2)nc(N2CCCC2)n1)\c1ccsc1 59514390 VBPROGWTCZIIEY-GZTJUZNOSA-N 343.460 2.580 30 40 EFEB COc1ccc(OC)c([C@@H]2[C@@H]3CCCC[C@@]3(O)CCN2CC#N)c1 13776149 QMJFUVFWXGMIAN-QXAKKESOSA-N 330.428 2.895 30 40 EFEB CCCCc1nc(CN2CC[C@H](CNc3ncccc3C#N)C2)no1 65496621 RPQUXKXWAGTXNS-CQSZACIVSA-N 340.431 2.613 30 40 EFEB N/C(Cc1ccc(Cl)cc1)=N\OC(=O)c1cccc([N+](=O)[O-])c1 4682079 YXONUVSRCDIHGI-UHFFFAOYSA-N 333.731 2.920 30 40 EFEB C#CCCN1CCC(NC(=O)COc2ccc3ccccc3c2)CC1 71916665 SVFDCLLGTMXHJV-UHFFFAOYSA-N 336.435 2.823 30 40 EFEB C=CCn1c(C)cc(C(=O)CSc2n[nH]c(=O)n2CCC)c1C 9669889 YPQBFTLIGRVFGX-UHFFFAOYSA-N 334.445 2.561 30 40 EFEB C#CCNC(=O)CC(=O)N(C)[C@H](c1ccccc1)c1ccc(F)cc1 97235709 BNWXNRDEUJTUHT-HXUWFJFHSA-N 338.382 2.513 30 40 EFEB C#CCOc1ccc(CCNC(=O)N(C)c2c(C)noc2C)cc1 95414372 QNFCWZVMTJBKOS-UHFFFAOYSA-N 327.384 2.692 30 40 EFEB CC[C@H](CC#N)NC(=O)Cc1ccc(Br)c([N+](=O)[O-])c1 521396289 IAUYTHHUWONKQV-SNVBAGLBSA-N 340.177 2.708 30 40 EFEB Cc1cc(CNC(=O)C(=O)Nc2cc(Cl)ccc2C#N)c(C)o1 70640489 GUWUJDUAPMAOQZ-UHFFFAOYSA-N 331.759 2.676 30 40 EFEB O=C1/C(=C\c2ccc([N+](=O)[O-])cc2)CS(=O)(=O)c2ccccc21 97993475 NARFHEHAYXDUGU-XFXZXTDPSA-N 329.333 2.648 30 40 EFEB CC/N=C1/S[C@@H](CC(=O)N[C@@H](C)c2ccccc2)C(=O)N1CC 13151275 AMSMDYHRNCZFJL-LDCPQAAESA-N 333.457 2.594 30 40 EFEB CN(C)C(=O)c1ccc(/N=C/Nc2ccc(C(=O)N(C)C)cc2)cc1 16163072 ZCDLBEVZVMKWFH-UHFFFAOYSA-N 338.411 2.862 30 40 EFEB CC(=O)C1=C(O)C(=O)N(CCC(=O)O)[C@@H]1c1ccc(C(C)C)cc1 74467 YNYIRYJQVBFYET-MRXNPFEDSA-N 331.368 2.569 30 40 EFEB C[C@@H](OC(=O)c1[nH]nc2ccccc12)C(=O)Nc1cccc(C#N)c1 8709958 LUDZJFXANJRKOP-LLVKDONJSA-N 334.335 2.619 30 40 EFEB CCOc1cc(C#N)ccc1OCC(=O)Nc1ccccc1OC 2762673 BEYDIVIJCYSUDX-UHFFFAOYSA-N 326.352 2.983 30 40 EFEB N#Cc1cccnc1N1CCN(c2ccc(Cl)cc2[N+](=O)[O-])CC1 23731322 MJKOYZVMJHFSEO-UHFFFAOYSA-N 343.774 2.841 30 40 EFEB CCCCCCCCCCOS(=O)(=O)[C@@H]1CCS(=O)(=O)C1 100839110 WKHICGGIHXQGSG-CQSZACIVSA-N 340.507 2.661 30 40 EFEB C=C(C)C[C@H]1N(c2ccccc2C)C(=O)[C@@H]2[C@@H](C(=O)O)[C@H]3C=C[C@]21O3 2471752 INFSPPRSFZBLBY-GFAJBQDWSA-N 339.391 2.701 30 40 EFEB C=CCNC(=O)CSc1nc(N)c2c3c(sc2n1)CCCCC3 9368580 GZIKVZBFZQUORY-UHFFFAOYSA-N 348.497 2.937 30 40 EFEB CC/N=C1\S/C(=C\c2ccc(OC(C)=O)c(OC)c2)C(=O)N1CC 408850281 KCSJKFOIRKSWKT-YBKXKOAPSA-N 348.424 2.933 30 40 EFEB Cc1c(/C(O)=N/S(=O)(=O)CC2CCCC2)cnn1CC(C)C 96487598 JGHKDRZEWAJOPP-UHFFFAOYSA-N 327.450 2.672 30 40 EFEB Cc1ccc(N2CCC[C@@H](N(C)Cc3cc(C#N)ccc3F)C2)nn1 71859813 SNQBDNZHUXKRIP-QGZVFWFLSA-N 339.418 2.897 30 40 EFEB COC(=O)c1cc(NC(=O)c2cc(C#N)c[nH]2)ccc1Br 95984546 DJOUKMWCHIFVCP-UHFFFAOYSA-N 348.156 2.688 30 40 EFEB COc1ccc([C@H]2C[C@H](C)CN2S(=O)(=O)CC2(C#N)CC2)cc1 95944298 BOXJYZMFIFQOME-XJKSGUPXSA-N 334.441 2.712 30 40 EFEB N#Cc1ccc(OCCNC(=O)c2c[nH]nc2-c2ccsc2)cc1 187403085 FFMVCUYQMCFCDW-UHFFFAOYSA-N 338.392 2.819 30 40 EFEB Cc1ccc(S(=O)(=O)/N=C(\O)c2ncoc2C(C)C)c(F)c1 75040334 CPFOHFUFVBFTQC-UHFFFAOYSA-N 326.349 2.939 30 40 EFEB CC(=O)N[C@@H]1CCCN(Cc2cccn2Cc2ccccc2C#N)C1 189664396 AVFQZFFTKPCVNH-LJQANCHMSA-N 336.439 2.509 30 40 EFEB N#Cc1cnc2c(F)cc(F)cc2c1NCCNC(=O)c1ccco1 79002351 MBUYJYVFYJYOPA-UHFFFAOYSA-N 342.305 2.820 30 40 EFEB Cc1ccccc1[C@@H](C)NC(=O)C(=O)Nc1ccc(F)c(C#N)c1 96403891 KDRVCAOHSNMIOS-GFCCVEGCSA-N 325.343 2.822 30 40 EFEB O/C(COCCOc1ccccc1)=N\c1nc(-c2ccccn2)n[nH]1 53527635 CRWZNBQRLUQIHE-UHFFFAOYSA-N 339.355 2.550 30 40 EFEB N#Cc1ncn(Cc2csc(COc3ccc(Cl)cc3)n2)n1 14144624 YSPAMZCCHKYOKZ-UHFFFAOYSA-N 331.788 2.887 30 40 EFEB N#Cc1ccc(CN2C(=O)N[C@@]3(CCCc4ccccc43)C2=O)cc1 2622655 SQSHXJGGUXNCLB-HXUWFJFHSA-N 331.375 2.842 30 40 EFEB COc1cc(/C=N/n2c(SC)nnc2C(F)F)cc(OC)c1O 2789502 QKLMDKCANCDCJA-OMCISZLKSA-N 344.343 2.543 30 40 EFEB C=C(Cl)CN(CC(=O)NC[C@H]1CCOC1)[C@H]1CCc2ccccc21 106641637 NXBLPZACOSHOBN-QAPCUYQASA-N 348.874 2.881 30 40 EFEB CC(C)CCC(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2)c1 34868074 LDYWBKGYYGTSLI-UHFFFAOYSA-N 337.445 2.532 30 40 EFEB C/C(=C\C(=O)C(F)(F)F)NC[C@@H](c1cccs1)N1CCOCC1 25539001 XGABUDCFFSDUIL-ZKQHCESOSA-N 348.390 2.746 30 40 EFEB COc1ccc(OC)c2c1CN(c1ccc(C#N)cc1F)C[C@H]2O 58343033 NHICJNIYRYMEMS-OAHLLOKOSA-N 328.343 2.768 30 40 EFEB Cn1nccc1C1CCN(CCC(=O)Nc2sccc2C#N)CC1 58326291 UEBCWRGMSNXOIX-UHFFFAOYSA-N 343.456 2.561 30 40 EFEB N#Cc1cc(Br)ccc1NCCNC(=O)c1cccnc1 96008413 HRDSUQUFRDWJLF-UHFFFAOYSA-N 345.200 2.558 30 40 EFEB N#Cc1ccc(C(=O)NCC(=O)N2CCC[C@H]2c2ccccc2)cc1 69519939 HXRGESRGCINVJN-SFHVURJKSA-N 333.391 2.652 30 40 EFEB N#Cc1cc(NC[C@H]2CCCO2)cc(NC[C@H]2CCCO2)c1[N+](=O)[O-] 71913834 RFHIARYSFWPZIO-HUUCEWRRSA-N 346.387 2.648 30 40 EFEB C=CC1CCN(C(=O)NCc2cccnc2-n2ccnc2C)CC1 95395155 JDKCEZWNVVOLEW-UHFFFAOYSA-N 325.416 2.683 30 40 EFEB O=C1NC(=O)N(c2ccccc2F)C(=O)[C@@H]1C=Nc1ccccc1F 408527331 MCJLSDXXWDCNHX-SNVBAGLBSA-N 343.289 2.566 30 40 EFEB COc1cc(/C=N\Nc2ccc([N+](=O)[O-])cc2)ccc1OCC#N 33928710 DGWSEEIIMKUTND-WQRHYEAKSA-N 326.312 2.952 30 40 EFEB N#Cc1ccc(CN(CC(N)=O)C2CCCC2)c(Br)c1 96496395 GRCWECIGXUSAGE-UHFFFAOYSA-N 336.233 2.551 30 40 EFEB Cc1cccc(CN2CC[C@]3(CC(=O)N(c4cccc(C#N)c4)C3)C2)n1 96077464 RDIJLUADBKZMEB-NRFANRHFSA-N 346.434 2.891 30 40 EFEB COCc1nc(C)cc(N2CC[C@H](N(C)c3cccc(C#N)c3)C2)n1 585092398 UWUSZERQNSUQHF-KRWDZBQOSA-N 337.427 2.518 30 40 EFEB C=C(C)C[C@H](C)C(=O)NCc1nnc2cc(C(F)(F)F)ccn12 585127944 NOUDGVQJIMFMRC-JTQLQIEISA-N 326.322 2.967 30 40 EFEB C[C@@H](C#N)CN(C)S(=O)(=O)N1CCC[C@H]1c1cccc(Cl)c1 252528022 DYIYGVQERLPMOJ-WFASDCNBSA-N 341.864 2.813 30 40 EFEB C=CC[C@@H](C)NC(=O)Nc1ccc(CN=[S@@](C)(=O)N(C)C)cc1 1616039118 WOZUKDSVXWTPJM-JCQPUDPBSA-N 338.477 2.847 30 40 EFEB CCN(C[C@@H](C)C#N)S(=O)(=O)c1ccc(Br)cc1F 97163086 ALOQYRVCHIFSGN-VIFPVBQESA-N 349.225 2.758 30 40 EFEB N#C/C(=N\Nc1ccc([N+](=O)[O-])cc1)c1nc(O)c2ccccc2n1 4262765 MMLDRROFKZHCTB-KGENOOAVSA-N 334.295 2.583 30 40 EFEB COc1ccc(CN2C(=O)CS/C2=N\N=C\c2ccco2)cc1 13584073 FTMOMMPGFISATG-RGJFUNKGSA-N 329.381 2.754 30 40 EFEB Sc1nnc(-c2n[nH]c3c2CCC3)n1/N=C/c1cccc(Cl)c1 19827459 QXAJARRIUKJSKB-CAOOACKPSA-N 344.831 2.981 30 40 EFEB N#Cc1cc2c(N)c(C(=O)Nc3ccccc3F)sc2nc1N 18240959 NEDWSZDXHAVKJJ-UHFFFAOYSA-N 327.344 2.724 30 40 EFEB COc1ccc(C(=O)C2=C(O)C(=O)N[C@H]2c2ccccc2F)cc1 17014334 UPUNWXKGXNBTIE-HNNXBMFYSA-N 327.311 2.700 30 40 EFEB CCN(CCCNC(=O)c1ccc(C#N)cc1)C(=O)OC(C)(C)C 40088543 AESLMORXOOGRJA-UHFFFAOYSA-N 331.416 2.935 30 40 EFEB COc1ccc(CN(C2CC2)S(=O)(=O)c2ccccc2C#N)cc1 8058177 MTVRYBDDTLASRZ-UHFFFAOYSA-N 342.420 2.920 30 40 EFEB N#C[C@@H](C(=O)O)C(c1c(Cl)cccc1Cl)[C@H](C#N)C(=O)O 1579514 YPZJRLVFKBMTMP-UZRSXYIYSA-N 327.123 2.526 30 40 EFEB in-vitro COc1ccc([C@H]2NC(=O)C(O)=C2C(=O)c2ccccc2)cc1OC 6282431 TZZUMCUANIDMLE-MRXNPFEDSA-N 339.347 2.570 30 40 EFEB biogenic Cc1cc(N)nc(SCC(=O)Nc2ccccc2SCC#N)n1 22090387 AVJFEUCNIAFJFW-UHFFFAOYSA-N 345.453 2.714 30 40 EFEB Cc1cc2ncn(CN3CCN(c4ncccc4C#N)CC3)c2cc1C 24573934 OXNCNDDWGNVACP-UHFFFAOYSA-N 346.438 2.700 30 40 EFEB COc1ccnc(N2CCN(c3ccc(Cl)cc3)CC2)c1C#N 1398113 IEFKNJJHJQHAIJ-UHFFFAOYSA-N 328.803 2.942 30 40 EFEB O=[N+]([O-])c1ccc2c(c1)/C(=N/NCc1cc(F)ccc1F)C(O)=N2 44008186 RMBKFCCIOJWHPK-UHFFFAOYSA-N 332.266 2.969 30 40 EFEB C=CCOc1ccc(/C=C2\SC(=S)N([C@H](C)C(=O)O)C2=O)cc1 1867942 KHJGKIAEUCHFBJ-PEHNMLCRSA-N 349.433 2.926 30 40 EFEB N#Cc1c(Cl)nsc1N1CCCN(c2nccs2)CC1 49125673 RRXCNHLLHTZQHF-UHFFFAOYSA-N 325.850 2.841 30 40 EFEB COc1cc(/C=N/N=C(/S)Nc2cccnc2)cc(OC)c1O 13637743 VXBCUHXGLOKWBX-CAOOACKPSA-N 332.385 2.536 30 40 EFEB CC(=O)Nc1ccc(C)c(S(=O)(=O)N(CCC#N)[C@@H](C)C2CC2)c1 69601762 CVCSRKDZYSVUMW-ZDUSSCGKSA-N 349.456 2.656 30 40 EFEB COc1ccc([C@@]2(C)NC(=O)N(Cc3ccc(C#N)cc3)C2=O)cc1 14183082 LSSXTLOVEUBVNH-LJQANCHMSA-N 335.363 2.534 30 40 EFEB COC(=O)c1cccc(CC(=O)N[C@@H](C#N)c2ccc(F)cc2F)c1 89406899 FSIAEOLFPQNCMD-INIZCTEOSA-N 344.317 2.675 30 40 EFEB N#Cc1cccc(C(=O)NCC2CCN([C@H]3CCSC3)CC2)c1 225567456 HIQMOYMSYGRIGP-KRWDZBQOSA-N 329.469 2.506 30 40 EFEB Cc1nn(C)c(C)c1NC(=O)CNc1cc(C#N)ccc1OC(C)C 96453964 RVEFFLNSCYATEA-UHFFFAOYSA-N 341.415 2.746 30 40 EFEB N#Cc1cccc(N[C@@H]2CO[C@@]3(CCN(Cc4ccsc4)C3)C2)n1 96047663 USPBKFNLMRPHCN-WMZOPIPTSA-N 340.452 2.860 30 40 EFEB N#Cc1cccc(C(=O)N2C[C@H]3C[C@H]2C[C@H]3OCc2cccnc2)c1 247632924 BTHKSZDMAYGRHU-CEXWTWQISA-N 333.391 2.773 30 40 EFEB Cn1ncc(C2CC2)c1/C=C/C(=O)c1ccc(N2C(=O)CCC2=O)cc1 585135837 FEWLUMOWQCOZTI-CMDGGOBGSA-N 349.390 2.847 30 40 EFEB COc1ccc(/C=N/N(C)CN(C)/N=C/c2ccc(OC)cc2)cc1 17002876 HNZMJDDXNUIEPC-KVVJQUGZSA-N 340.427 2.893 30 40 EFEB O=S1(=O)CC/C(=N/Nc2nc3ccccc3[nH]2)c2cc(F)ccc21 33044159 NWTQRBXJCUJYLX-NDENLUEZSA-N 344.371 2.696 30 40 EFEB C=CCOc1ccccc1/C=C1\SC(N2CCOCC2)=NC1=O 12436707 AIKYUMPKLIGUJT-QINSGFPZSA-N 330.409 2.554 30 40 EFEB N/C(=N\C(=O)COc1ccc(Cl)cc1)Nc1nc2ccccc2o1 51367078 FBHHCKBEOVGOSL-UHFFFAOYSA-N 344.758 2.813 30 40 EFEB Cc1ccc(CCCC(=O)N2CCN(c3cc(C#N)ccn3)CC2)cc1 45079520 VADHRLSINMYKDW-UHFFFAOYSA-N 348.450 2.933 30 40 EFEB C#Cc1cccc(N(Cc2cccs2)C(=O)c2ccc(=O)n(C)n2)c1 69587980 VKRAFPBHWBLIME-UHFFFAOYSA-N 349.415 2.670 30 40 EFEB N#Cc1ccc(N2CCC(Nc3ncnc4nc(N)ccc34)CC2)cc1 90086068 CAQOBBLRGIGEBI-UHFFFAOYSA-N 345.410 2.560 30 40 EFEB C[C@H]1CN(CC(=O)/C=C2/N(C)c3ccccc3C2(C)C)C[C@@H](C)O1 16444072 UONKVAVXWGMOFA-RQKAQPNHSA-N 328.456 2.976 30 40 EFEB N#CCCCOc1cccnc1NC(=O)c1cccc2c1OCCO2 71894162 KMUVAAVQLHOFPD-UHFFFAOYSA-N 339.351 2.788 30 40 EFEB N#Cc1ccc(C(=O)Nc2cc(-n3nnnc3C3CC3)ccc2F)cc1 72294355 GEVZTAVYTYYZPA-UHFFFAOYSA-N 348.341 2.803 30 40 EFEB Cc1cc([N+](=O)[O-])cn(Cc2ccc(C#N)cc2Br)c1=O 97232460 IXQIMYCZEPOILJ-UHFFFAOYSA-N 348.156 2.747 30 40 EFEB Cc1nn(C)c(C)c1[C@H](OC(=O)c1cc(C#N)cn1C)C(F)(F)F 89505666 RUUUIODHCXSFJT-ZDUSSCGKSA-N 340.305 2.708 30 40 EFEB Cc1sc(-n2c(C)cc(/C=C3\NC(=O)NC3=O)c2C)c(C#N)c1C 408820326 WUUUTNVNHQDKNW-NSIKDUERSA-N 340.408 2.824 30 40 EFEB CCOC(=O)c1sc(OCc2ccccc2OC)c(C#N)c1N 225850615 UXPPRQDVHQRKFU-UHFFFAOYSA-N 332.381 2.966 30 40 EFEB C#CCCCC(=O)N(C)c1cccc(N(C)C(=O)CCCC#C)n1 585086587 ZGTDOHXKRHQLHJ-UHFFFAOYSA-N 325.412 2.614 30 40 EFEB Cc1c(Cl)c[nH]c(=NC[C@@H]2CCCO[C@H]2c2cn[nH]c2)c1C#N 599176605 DSYKLQMFLKYRQS-XHDPSFHLSA-N 331.807 2.640 30 40 EFEB CC1(C)CC(=O)C2=C(C1)Nc1[nH]nc(O)c1[C@@H]2c1ccc(O)c(O)c1 12348844 MZIPKQZXOSBDHW-CYBMUJFWSA-N 341.367 2.727 30 40 EFEB CCc1ccc(S(=O)(=O)Nc2ccn(CCC#N)n2)cc1CC 160203677 RYGMETVDHFVOIO-UHFFFAOYSA-N 332.429 2.722 30 40 EFEB C=CCc1cc(CNC(=O)[C@H](C)OCC2CC2)cc(OC)c1OC 50525068 CBMCVWGKDQNVKO-ZDUSSCGKSA-N 333.428 2.864 30 40 EFEB C#CCOc1ccc(/C=C2/NC(=S)N(Cc3ccco3)C2=O)cc1 101123349 OLQZDTHXQJTOIE-LFIBNONCSA-N 338.388 2.549 30 40 EFEB COC(=O)C1=C(N)OC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccccc1 38787 NBNOTWAEVQQITB-CQSZACIVSA-N 327.380 2.787 30 40 EFEB N#Cc1ccccc1-c1ccc(COC(=O)CN2CCCC2=O)cc1 23463797 AAFYCRNLPXHBBK-UHFFFAOYSA-N 334.375 2.891 30 40 EFEB COc1ccc2cc([C@@H](C)C(=O)ON3C(=O)CCC3=O)ccc2c1 59245757 RGQJSRAYQQBAFK-LLVKDONJSA-N 327.336 2.559 30 40 EFEB Cc1oc(-n2cccc2)c(C#N)c1C(=O)NC[C@@H](C)Cn1cccn1 58224925 YVQSMEBMUIKIGG-CYBMUJFWSA-N 337.383 2.513 30 40 EFEB CNC(=O)NC(=O)[C@@H](C)Nc1ccc(Oc2ccc(C#N)cc2)cc1 58289258 MNBHGSKYEMCDRN-GFCCVEGCSA-N 338.367 2.607 30 40 EFEB Cc1ccc(NC2CCN(C(=O)C3(C#N)CCCCC3)CC2)nn1 69815411 QBSPOIBJHKXYIY-UHFFFAOYSA-N 327.432 2.662 30 40 EFEB N#CC1(NC(=O)COC(=O)c2ccc3ncsc3c2)CCCCC1 4546741 FAKAPZMIXJXMTF-UHFFFAOYSA-N 343.408 2.796 30 40 EFEB N#Cc1c(NC(=O)Cc2ccccc2C(=O)O)sc2c1CCC2 71289170 KNEJTIDLLJVOLL-UHFFFAOYSA-N 326.377 2.988 30 40 EFEB COc1ccc(C(=O)OCC(=O)Nc2ccc(CC#N)cc2)c(F)c1 7935185 LULFGPWLRZUYDO-UHFFFAOYSA-N 342.326 2.696 30 40 EFEB N#Cc1cc([N+](=O)[O-])cnc1NCc1cc(Cl)c2c(c1)OCCO2 75668205 CLDOKWYXEFZVRX-UHFFFAOYSA-N 346.730 2.898 30 40 EFEB C[C@@H](c1cccnc1)N1CCN(c2ccc([N+](=O)[O-])c(C#N)c2)CC1 97144863 LDNKHMDZGPWJMB-AWEZNQCLSA-N 337.383 2.745 30 40 EFEB CCN(CC)CC#C[C@H](C)OC(=O)c1cnn(Cc2ccccc2)c1 84771198 NFCDSFHQEONXJP-KRWDZBQOSA-N 339.439 2.822 30 40 EFEB CC[C@@H](C)c1ccc(S(=O)(=O)NCC2CCN(CC#N)CC2)cc1 79108260 JIUDRCICUQFPMU-OAHLLOKOSA-N 349.500 2.714 30 40 EFEB Cc1ccc2c(c1)nc1n2[C@@H](CNC(=O)c2ccc(C#N)cc2)COC1 96112525 CFVRKBSREWXZNR-INIZCTEOSA-N 346.390 2.718 30 40 EFEB biogenic,in-vitro C/N=C(/NCCc1ccncc1C)NCc1coc(-c2ccccc2)n1 96484692 WPFJDIPRKDQYDZ-UHFFFAOYSA-N 349.438 2.953 30 40 EFEB N#CCN1CCC(OC(=O)c2cnc(Cc3ccccc3)s2)CC1 95429429 UVCUHUJMUCIZRQ-UHFFFAOYSA-N 341.436 2.879 30 40 EFEB N#Cc1cc(NC(=O)[C@H]2CCCN(Cc3ccccn3)C2)ccc1F 585135659 UZPJUOQGJBXNGB-AWEZNQCLSA-N 338.386 2.943 30 40 EFEB COc1cc(C#N)ccc1Cn1nc(C)c([C@@H]2CCCC(=O)N2)c1C 596301274 JHGAEBYYBXXNJP-INIZCTEOSA-N 338.411 2.770 30 40 EFEB CC[C@@H](O)CN(CC(=O)Nc1sccc1C#N)c1ccccc1 58343183 CYJLVVVGZYPQBZ-OAHLLOKOSA-N 329.425 2.836 30 40 EFEB C#CCCC1(CCC(=O)N2CC[C@H](C(=O)O)[C@H]3CCCC[C@H]32)N=N1 1616031279 KEDIADMRZFXVJU-QLFBSQMISA-N 331.416 2.834 30 40 EFEB N#CC1(c2ccccc2)CCN(Cc2nnc([C@@H]3CCOC3)o2)CC1 1849805315 MDSUYWLJWDXBCR-OAHLLOKOSA-N 338.411 2.631 30 40 EFEB C[C@@H](Oc1ccccc1F)c1ccnc2nc(/N=C/N(C)C)nn12 100912199 QMRAMGREYWZEKN-VURRPDKYSA-N 328.351 2.625 30 40 EFEB COC(=O)[C@@H]1CCCN1CC(=O)/C=C1/N(C)c2ccccc2C1(C)C 101132084 VMVYZMQZQHTHPL-BOFQVRIASA-N 342.439 2.504 30 40 EFEB COC(=O)[C@H]1C(=O)C2=C(C[C@@H]1C)NC(=O)C[C@H]2c1cccc(Cl)c1 4986718 JHHBTHAUHPMWAV-ONENECBXSA-N 347.798 2.596 30 40 EFEB CCOC(=O)[C@@H](NC=C1C(=O)c2ccccc2C1=O)c1ccccc1 100937694 HEABORBHPZNNJQ-KRWDZBQOSA-N 335.359 2.844 30 40 EFEB Cc1nnc(-c2ccccc2)c(=O)n1/N=C/c1ccc(N(C)C)cc1 27525774 DEOMGEDEHRSFOJ-DEDYPNTBSA-N 333.395 2.562 30 40 EFEB N#Cc1ccc(S(=O)(=O)Nc2cccc3c[nH]nc23)cc1Cl 58292878 CKQYLZAREJXYBY-UHFFFAOYSA-N 332.772 2.889 30 40 EFEB CC/N=C1\S[C@@H](CC(=O)Nc2ccccc2OCC)C(=O)N1CC 13153478 QBAZDZVNJBIYCS-DNZUHHBVSA-N 349.456 2.754 30 40 EFEB COc1ccc(/C=C/C(=O)c2ccc3c(c2)NC(=O)CO3)cc1O 5335779 ICUTXEGQTAHQTB-GORDUTHDSA-N 325.320 2.628 30 40 EFEB C/N=C(/N)SCc1nc2scc(-c3cccs3)c2c(=O)[nH]1 7286491 ISAOFHKKNULUSG-UHFFFAOYSA-N 336.467 2.891 30 40 EFEB N#Cc1cc(N)c(Cc2ccc(Cl)cc2)n1CC(=O)N1CCCC1 225857919 AWJGTFCICCWAOW-UHFFFAOYSA-N 342.830 2.809 30 40 EFEB N#Cc1ccc(OC[C@@H]2CN(C3CCCC3)Cc3cncn3C2)nc1 96209361 LEIQTJAFURXSNG-MRXNPFEDSA-N 337.427 2.603 30 40 EFEB Cc1cc(Br)ccc1S(=O)(=O)N(C)[C@H](C)CC#N 133313261 MZSJFAVXXGMBIT-SNVBAGLBSA-N 331.235 2.680 30 40 EFEB C#CCOc1ccc(F)cc1NC(=O)NC[C@@H](O)c1ccsc1 76081962 HPPRTIZBVOTXSW-CQSZACIVSA-N 334.372 2.754 30 40 EFEB O=C1N/C(=N\c2nccs2)S/C1=C\c1cccc([N+](=O)[O-])c1 10386538 ROICXAVNWHDJPT-YFHOEESVSA-N 332.366 2.943 30 40 EFEB N#Cc1ccc(N2CCc3c(ncn3CCc3ccccc3)C2)cn1 97371926 MCMVUWPZOMMWOI-UHFFFAOYSA-N 329.407 2.955 30 40 EFEB CC(=O)[C@H]1C[C@@H](O)[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@]12C 118928417 BXGCPPYCSCLHER-MNSFQJRNSA-N 346.467 2.665 30 40 EFEB C=CCn1cnnc1S[C@@H](C)C(=O)c1ccc(OC)c(OC)c1 58203004 DXDPLPOBANJWRP-NSHDSACASA-N 333.413 2.845 30 40 EFEB CN(CCC#N)C(=O)[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)c1ccccc1 58432041 RASCISHUOAQCBL-SQNIBIBYSA-N 339.439 2.832 30 40 EFEB C=CCNC(=O)CSc1nc(N)c2c3c(sc2n1)CCCC3 3552518 WZAXFZLYMPRPTN-UHFFFAOYSA-N 334.470 2.547 30 40 EFEB COc1cc(C#N)ccc1OCC(=O)Nc1ccnn1C1CCCC1 14198491 WITHUDSJSNLQBI-UHFFFAOYSA-N 340.383 2.896 30 40 EFEB C=C(Br)Cn1c([C@@H]2CC(=O)N(C)C2)nc2ccccc21 6665235 PGPKZTWJJLSUDN-LLVKDONJSA-N 334.217 2.891 30 40 EFEB COc1cccc(CC(=O)Nc2ncccc2OCCCC#N)c1 69589032 NAUCDUOEMWYYTL-UHFFFAOYSA-N 325.368 2.954 30 40 EFEB Cc1c(C(=O)NC2(C#N)CCCC2)nnn1-c1ccccc1Cl 69530201 FVEYYKKLEHNJHG-UHFFFAOYSA-N 329.791 2.795 30 40 EFEB CC(C)Nc1nnc(SCC(=O)NC2(C#N)CCCCC2)s1 9724268 RBADSRDSMRBHHW-UHFFFAOYSA-N 339.490 2.793 30 40 EFEB Cc1cc(N2CCOCC2)ccc1/C=N/Nc1ccc([N+](=O)[O-])cn1 409068108 HIBUBZXARVJTND-YBFXNURJSA-N 341.371 2.581 30 40 EFEB CC/N=C(/NCc1ccc(C)cc1OC[C@H]1CCOC1)NC1CC1 95975412 ISWDVINLTHFKED-HNNXBMFYSA-N 331.460 2.628 30 40 EFEB N#Cc1cnc2c(Cl)cccc2c1N1CCN2C(=O)CC[C@@H]2C1 567348081 RCBLTSKASJTMDT-GFCCVEGCSA-N 326.787 2.571 30 40 EFEB CC1(C)CN(Cc2ccc(C#N)cc2Br)CC[S@]1=O 97233223 JVZIGPNCUSOKPZ-IBGZPJMESA-N 341.274 2.664 30 40 EFEB CCCCCCOc1ccc(/C(C)=N/NC2=NCCN2)cc1[N+](=O)[O-] 4154654 AKJVZFLOSQWOMV-DEDYPNTBSA-N 347.419 2.827 30 40 EFEB C#CCNC(=O)[C@H](CCSC)NC(=O)c1ccc(C(C)(C)C)cc1 40460965 MPNZWZBSYBCCGZ-INIZCTEOSA-N 346.496 2.585 30 40 EFEB C=CCN1CCC(NC(=O)NCc2ccc(N3CC=CC3)cc2)CC1 102735874 POIVGFVSTVPPPY-UHFFFAOYSA-N 340.471 2.512 30 40 EFEB N#Cc1c(Cl)nsc1NCc1ccc(N2CCOCC2)nc1 47405302 FNVTZGRWXIGMQC-UHFFFAOYSA-N 335.820 2.512 30 40 EFEB CN(Cc1ccccc1)C[C@@H](C#N)[C@H](O)c1ccc([N+](=O)[O-])cc1 58159371 KJGIXGGJUXKFTJ-SJLPKXTDSA-N 325.368 2.900 30 40 EFEB Cc1ccc(C(=O)CN2C(=O)N[C@](C)(c3cccc(C#N)c3)C2=O)cc1 58201809 WBJGOXDQWHCHRD-HXUWFJFHSA-N 347.374 2.517 30 40 EFEB COc1ccc2[nH]cc(/C=N/NS(=O)(=O)c3ccc(C)cc3)c2c1 2402606 VVGBJIHPXOUOIG-YBFXNURJSA-N 343.408 2.797 30 40 EFEB C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CNCc4ccco4)[C@H]3[C@H]3O[C@]132 4084953 DPPIWYDVSJYNIM-SPRRPYHMSA-N 345.439 2.895 30 40 EFEB biogenic COc1ccc([C@@H]2NC(=O)C(O)=C2C(=O)c2cccs2)c(OC)c1 4901789 MWDOHIWAZKAQMO-AWEZNQCLSA-N 345.376 2.631 30 40 EFEB Cc1cccc(N=C[C@@H]2C(=O)NC(=O)N(c3ccccc3C)C2=O)c1 408526988 INAYZDURQNUVQV-OAHLLOKOSA-N 335.363 2.905 30 40 EFEB C#C[C@]1(O)CC[C@H]2[C@@H]3C[C@@H]4O[C@@]45C[C@@H](O)CC[C@]5(C)[C@H]3CC[C@@]21C 12660929 ODMURDDTNPVMMD-SETLECRRSA-N 330.468 2.886 30 40 EFEB biogenic Cc1nc(C)c(S(=O)(=O)/N=C(\O)[C@@H]2C[C@@H]2c2ccco2)s1 96446948 MTPZKXPUJRSSDH-VHSXEESVSA-N 326.399 2.802 30 40 EFEB CC(C)(C)OC(=O)N1[C@H]2CC[C@H]1CC(CNc1cncc(C#N)n1)C2 1616038272 KREXRJVESOZWHJ-GJZGRUSLSA-N 343.431 2.938 30 40 EFEB CC(C)C[C@H](C#N)NC(=O)[C@@H]1CC(=O)N([C@@H](C)c2ccccc2)C1 609600063 QQUIDMFUSPJNMD-USXIJHARSA-N 327.428 2.651 30 40 EFEB N#C[C@]1(c2ccccn2)CCCN(C(=O)c2noc3c2CCCC3)C1 606445964 NHESBRDISVMQKF-LJQANCHMSA-N 336.395 2.646 30 40 EFEB CN(C)[C@@H](CNc1ncnc2c1cnn2CCC#N)c1cccs1 65519903 UOGMQXZICDBDEX-ZDUSSCGKSA-N 341.444 2.516 30 40 EFEB CC(=O)NC1=C(c2ccc([N+](=O)[O-])cc2)C(=O)c2ccccc2C1=O 5378193 FNVNZEHDSUENJZ-UHFFFAOYSA-N 336.303 2.521 30 40 EFEB C=CCNC(=O)C1(C[C@@H]2CC(c3ccc(C)cc3)=NO2)CCOCC1 12157581 ZKZMLGFSYOCTIY-KRWDZBQOSA-N 342.439 2.977 30 40 EFEB C[C@H]1CC(=O)Nc2ccccc2N1C(=O)COc1ccc(C#N)cc1 7168837 DQJIJDGFNMBXRN-ZDUSSCGKSA-N 335.363 2.701 30 40 EFEB C=CCOc1ccccc1/C=C1\SC(=S)N(CC(=O)O)C1=O 2700467 DREITSQAJKJJSQ-WQLSENKSSA-N 335.406 2.537 30 40 EFEB CC(C)OC(=O)CSc1nc2cc3c(cc2cc1C#N)OCCO3 1355111 BQBUWGYLGVNAOZ-UHFFFAOYSA-N 344.392 2.921 30 40 EFEB N#Cc1cccc(C(=O)N2C[C@H]3C[C@H]2C[C@@H]3OCc2cccnc2)c1 107806336 BTHKSZDMAYGRHU-QYZOEREBSA-N 333.391 2.773 30 40 EFEB Cc1nc2n(n1)[C@H](c1cccc([N+](=O)[O-])c1)C1=C(C[C@H](C)CC1=O)N2 10339526 PVZXPXHEYYJYOI-XXFAHNHDSA-N 339.355 2.763 30 40 EFEB C=CCCC(=O)N1CCC[C@]2(CC1)CCN(Cc1cccnc1)C2=O 108530629 LCEUYGWESCXFPS-FQEVSTJZSA-N 341.455 2.779 30 40 EFEB N#Cc1ccsc1NC(=O)CCN1CCCC[C@H]1Cn1cccn1 70040517 VAEGINILAYVFHO-HNNXBMFYSA-N 343.456 2.700 30 40 EFEB N#Cc1ccc(OCC(=O)NC2CCN(CC3CCCC3)CC2)cc1 58218433 PTXCQQDWYWCTOF-UHFFFAOYSA-N 341.455 2.708 30 40 EFEB O=C1/C(=C/c2ccc3c(c2)OCCO3)CS(=O)(=O)c2ccccc21 6590355 LGMKRQFJGVCEIE-UKTHLTGXSA-N 342.372 2.511 30 40 EFEB C=CCn1c(SCC(=O)c2cccn2C)nc2sccc2c1=O 8940870 OVAVRGAUDCMGBW-UHFFFAOYSA-N 345.449 2.958 30 40 EFEB N#Cc1ccc(CC(=O)N[C@H]2CCN(c3ccc(F)cc3F)C2)cc1 95389661 WYKUZEUVWMWHEE-INIZCTEOSA-N 341.361 2.774 30 40 EFEB C=CCN1C(=O)N/C(=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1=O 409142767 BEBRMLIHPXYJAC-GXDHUFHOSA-N 339.307 2.934 30 40 EFEB COc1ccc([C@@H]2C(C(C)=O)=C(C)N=C3SCCC(=O)N32)cc1 66087830 RGHAJEQZPPIRRX-MRXNPFEDSA-N 330.409 2.934 30 40 EFEB COc1ccc(/C=N\N2CCN(Cc3ccccc3)CC2)c(OC)c1 16677825 PKUJGZBFJHGVPO-QNGOZBTKSA-N 339.439 2.856 30 40 EFEB COc1ccccc1NC(=O)CO/N=C(\N)c1cccc(Cl)c1 40466391 XFQHPEVNUKFAMJ-UHFFFAOYSA-N 333.775 2.624 30 40 EFEB CCCCc1nc(NCCN2CCOCC2)c(C#N)c2c1CCCC2 20589329 BSEGYXCAMQEVID-UHFFFAOYSA-N 342.487 2.919 30 40 EFEB C[C@@H](c1cccc(S(N)(=O)=O)c1)N(C)Cc1ccc(C#N)cc1F 70009725 AVRYUCSGYKOSEM-LBPRGKRZSA-N 347.415 2.538 30 40 EFEB CC1(C)Cc2c(C#N)c(OCC(=O)O)nc(-c3ccccc3)c2CO1 12324654 JROKKQXGTDUKOP-UHFFFAOYSA-N 338.363 2.935 30 40 EFEB Cc1nn(CCC#N)c(C)c1CCC(=O)N[C@H](C)c1ccncc1 24049651 CGAHLLDUCSHJRF-CYBMUJFWSA-N 325.416 2.619 30 40 EFEB N#Cc1c(F)cccc1N[C@H]1CCN(Cc2ccccc2)C[C@@H]1CO 107138455 SMWOLXQORXBSDR-APWZRJJASA-N 339.414 2.992 30 40 EFEB COC(=O)/C=C1/S/C(=N\c2cccc(C(F)(F)F)c2)N(C)C1=O 18191464 ZLPWYUUQKZWAGY-DQBOXZGESA-N 344.314 2.955 30 40 EFEB N#Cc1c2c(c(N3CCNCC3)n3c1nc1ccccc13)CCCC2 4386142 SVVHQMXOGXHYCZ-UHFFFAOYSA-N 331.423 2.648 30 40 EFEB Cc1cc(NC(=O)CN(C)c2c(C#N)cnc3c(C)cccc23)no1 71922423 MPFPHQVJHZFINB-UHFFFAOYSA-N 335.367 2.786 30 40 EFEB CCS(=O)(=O)NCCSc1ccc(C#N)c(C(F)(F)F)c1 97050294 IJBNIEOJUFOUHF-UHFFFAOYSA-N 338.376 2.608 30 40 EFEB CC(C)N(C)C(=O)c1ccc(CN/C(=N/C2CC2)N2CCCC2)cc1 95948115 YBQVZJGMLUXFQH-UHFFFAOYSA-N 342.487 2.871 30 40 EFEB CCNC(=S)NCCCNc1nc2c(C)cccc2cc1C#N 35292288 GNANEAVCBGIGNT-UHFFFAOYSA-N 327.457 2.701 30 40 EFEB CO[C@]1(C(O)=Nc2nc(CN3CCC[C@@H](C)C3)cs2)CCOC1 330015772 ONMVHWITQNSJSY-MLGOLLRUSA-N 339.461 2.769 30 40 EFEB N#CC1(C(=O)N2CCN(c3ccncc3Cl)CC2)CCCCC1 95437772 QPMDBSGBDYLUEA-UHFFFAOYSA-N 332.835 2.858 30 40 EFEB C[C@H](c1ccc(Br)cc1)N1CCN(C(=O)CC#N)CC1 97097354 BKAXBDYDPRSVPH-GFCCVEGCSA-N 336.233 2.568 30 40 EFEB COc1c(O)ccc(/C=N/Nc2ccc([N+](=O)[O-])cc2)c1[N+](=O)[O-] 16194648 UFWJMURXHVNGLX-OVCLIPMQSA-N 332.272 2.663 30 40 EFEB CC(=O)N1CCc2c(sc(NC(=O)c3ccc(F)cc3)c2C#N)C1 4281168 KGVSWDFVAAKJOJ-UHFFFAOYSA-N 343.383 2.916 30 40 EFEB O=C(NCC#Cc1ccccc1)c1nc(N2CCCC2)ncc1Cl 51292396 KFHASXYFYKPGEO-UHFFFAOYSA-N 340.814 2.512 30 40 EFEB N#CCC[C@@H](C#N)CN1CCN(c2ccc(C(F)(F)F)cn2)CC1 32514503 QHMKNJNURMDVQJ-ZDUSSCGKSA-N 337.349 2.666 30 40 EFEB CCN(C(=O)COC(=O)c1ccc(C#N)cc1F)c1ccccc1 6950675 QHMXUAYVUOIIBM-UHFFFAOYSA-N 326.327 2.907 30 40 EFEB CC1(C)CC(=O)C2=C(C1)O[C@@H]([N+](=O)[O-])[C@H]2c1ccc([N+](=O)[O-])cc1 100929280 UFKIGFOZDRJOGW-DZGCQCFKSA-N 332.312 2.955 30 40 EFEB N#C[C@H](C(=O)CCCn1cccn1)C(=O)Nc1ccc(F)c(Cl)c1 102763999 FNKDXBOZLCQQIF-GFCCVEGCSA-N 348.765 2.803 30 40 EFEB N#Cc1c(SCC(=O)O)nc(N2CCCCC2)c2c1CCCC2 509445 LSWXIFZQTXXEQU-UHFFFAOYSA-N 331.441 2.999 30 40 EFEB CCCCNC(=S)N(C)/N=C/c1cc(OC)c(OC)cc1OC 3392709 LGFZBJJYQWUUPU-WOJGMQOQSA-N 339.461 2.653 30 40 EFEB COC1CCN(C(=O)c2ccc(COc3ccccc3C#N)o2)CC1 48360747 PWBNQLFWWHPOGE-UHFFFAOYSA-N 340.379 2.981 30 40 EFEB COc1cc(/C(O)=N/S(C)(=O)=O)cc(Cl)c1OCC(C)C 48479708 GBZDXAFKVVRKBU-UHFFFAOYSA-N 335.809 2.648 30 40 EFEB COCCn1c(SCC#N)nc2sc3c(c2c1=O)CCCC3 3531926 GWIFOHRMGBZCTB-UHFFFAOYSA-N 335.454 2.599 30 40 EFEB CC(/C=N/n1c(S)nnc1-c1[nH]nc2c1CCC2)=C\c1ccco1 9411253 HIYUBIUYIOWMLI-CCLXQDPASA-N 340.412 2.976 30 40 EFEB Cc1csc(CN(C)[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)n1 95995303 SPHOFQKLOZANSU-INIZCTEOSA-N 340.452 2.951 30 40 EFEB COCc1cc(C)nc(NN=Cc2ccc(OC)c(OC)c2)c1C#N 408730311 PJLXAFRLOHLWBC-UHFFFAOYSA-N 340.383 2.871 30 40 EFEB COC(=O)c1ccc(Cl)c(-c2ccc(/C=N\NC(N)=S)o2)c1 408997690 OAMOJRQEWRWALS-IDUWFGFVSA-N 337.788 2.554 30 40 EFEB CCN1CCN(C[C@@H](C)CNc2c(C#N)cnc3ccccc23)CC1 189442301 VQMLCSVQLMNHQX-INIZCTEOSA-N 337.471 2.792 30 40 EFEB N#Cc1cccnc1N1CCC(CNC(=O)/C=C/c2ccccc2)CC1 70929061 VLKUYICHMROJOX-CMDGGOBGSA-N 346.434 2.999 30 40 EFEB Cc1ccc(N(CCC#N)C(=O)CCn2cc([N+](=O)[O-])cn2)cc1C 79000336 ORENNZBOWRUYOU-UHFFFAOYSA-N 341.371 2.745 30 40 EFEB CCN1CCN(c2c(N)cc(C#N)n2Cc2ccc(Cl)cc2)CC1 225869887 HZMNOMWXEBZAMF-UHFFFAOYSA-N 343.862 2.786 30 40 EFEB C=CCN1CCC[C@@]12CCCN(C(=O)Cc1ccc(OC)cc1)C2 96214771 UFJRFDMMBVBOBN-HXUWFJFHSA-N 328.456 2.881 30 40 EFEB N#CC1(C(=O)N2CCc3ncnc(-c4ccncc4)c3C2)CCCC1 1565556822 YKZAEGCJNAYJDL-UHFFFAOYSA-N 333.395 2.507 30 40 EFEB O=C1C=CC(=O)C2=C1C1c3ccccc3C2([N+](=O)[O-])c2ccccc21 1578990 QPZGUMIVIRRZBU-UHFFFAOYSA-N 329.311 2.670 30 40 EFEB N#Cc1ccccc1OCC(=O)NCc1cccc(CN2CCCC2)c1 46374609 PNVAODGDBYJZHT-UHFFFAOYSA-N 349.434 2.849 30 40 EFEB C/C(=N/N1CCN(c2ccccn2)CC1)c1ccc([N+](=O)[O-])cc1 469130 QFCSRGFPAOMMAE-RGEXLXHISA-N 325.372 2.536 30 40 EFEB CCS(=O)(=O)c1ccccc1C(=O)N(C)Cc1cccc(C#N)c1 25103413 NMAKKVABWCJLKE-UHFFFAOYSA-N 342.420 2.624 30 40 EFEB N#Cc1ccc(/C=C/C(=O)Nc2ccccc2Cn2cncn2)cc1 55968895 OCSBABMGSOFKKT-MDZDMXLPSA-N 329.363 2.850 30 40 EFEB N#Cc1nc(-c2ccco2)oc1N1CCN(Cc2cscn2)CC1 27107226 HJJMDXUSBADVGB-UHFFFAOYSA-N 341.396 2.585 30 40 EFEB CC(C)/N=C(\O)[C@H](C#N)C(=O)c1cccc(/N=C(\O)NC2CC2)c1 82068126 WYVUVQLXPRLOKG-CQSZACIVSA-N 328.372 2.671 30 40 EFEB N#Cc1cccc(N2CCC(COc3cc(C4CC4)ncn3)CC2)n1 1565520669 CQQAUPXLQVVQLQ-UHFFFAOYSA-N 335.411 2.916 30 40 EFEB N#Cc1nccnc1N1CCO[C@@H](c2cccc(C(F)(F)F)c2)C1 96447490 LVHDSLLZOBYIFD-CQSZACIVSA-N 334.301 2.945 30 40 EFEB CN(C)CCCC1CCN(C(=O)NCc2ccc(C#N)cc2F)CC1 95980792 LOCCCELWNKGKEK-UHFFFAOYSA-N 346.450 2.961 30 40 EFEB N#Cc1cc2c(nc1N1C[C@@H]3CN(c4ccccn4)C[C@@H]3C1)CCCC2 2298061985 RHRLTFLUUSUKBH-HDICACEKSA-N 345.450 2.800 30 40 EFEB C=CC/N=C1/S[C@@H](CC)C(=O)N1S(=O)(=O)c1ccc(C)cc1 101193978 ZJDWCHRJZCPTOP-ZGTROFRASA-N 338.454 2.580 30 40 EFEB C=C(C)C[C@H]1N(c2ccc(F)cc2)C(=O)[C@H]2[C@H](C(=O)O)[C@H]3C=C[C@]21O3 2367177 WOALJGRKQHMPHP-DINLJIAVSA-N 343.354 2.532 30 40 EFEB COc1ccc(C(=O)Cn2c(-c3cccnc3)ccc(C#N)c2=O)cc1 4931792 PSPZKDBBHZWWDU-UHFFFAOYSA-N 345.358 2.673 30 40 EFEB N#Cc1ccccc1OCCN1CCNC(=O)C[C@H]1c1ccccc1 52837078 YLGLTZPZPMYNKM-SFHVURJKSA-N 335.407 2.500 30 40 EFEB CC(C)c1ccc(OC/C(O)=N/S(=O)(=O)c2cccnc2)cc1 42322331 FRYKKVKERWDNCK-UHFFFAOYSA-N 334.397 2.929 30 40 EFEB C#Cc1cccc(NC(=O)c2cc(S(C)(=O)=O)ccc2Cl)c1 23359490 FMENEBURKPQNCO-UHFFFAOYSA-N 333.796 2.977 30 40 EFEB N#Cc1ccc(NC(=O)CN2CCC([C@H](O)c3ccccc3)CC2)cc1 24763602 WQEVPJYRISXGOC-OAQYLSRUSA-N 349.434 2.942 30 40 EFEB COC(=O)c1sc(NC(=O)c2cccc([N+](=O)[O-])c2)c(C#N)c1C 2214106 SBOCJVPVHSTKBQ-UHFFFAOYSA-N 345.336 2.875 30 40 EFEB C=CCNc1nnc(SCC(=O)Nc2sccc2C#N)s1 5783370 MWQOQYLBVSMEIU-UHFFFAOYSA-N 337.455 2.800 30 40 EFEB COc1cc(N[C@H]2CCCN(C(=O)C(C)(C)C#N)C2)cc(OC)c1 84139803 UNGXCWLBDSCVJK-ZDUSSCGKSA-N 331.416 2.656 30 40 EFEB N#CC1(NC(=O)c2cc(I)ccc2Cl)CC1 84344485 OHYVDRVDFLEDBZ-UHFFFAOYSA-N 346.555 2.731 30 40 EFEB COc1ccc(C=NN2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)c2ccccc12 409410141 ZITVAPNGQYJMNS-BIPCEHGGSA-N 346.386 2.989 30 40 EFEB C[C@H](Cn1ncc2ccccc21)C(=O)NCC#Cc1cccc(F)c1 552590079 UKUAWKWXFNIRSQ-OAHLLOKOSA-N 335.382 2.979 30 40 EFEB CC[C@H](C(=O)N1CC[C@@H](Oc2nccnc2C#N)C1)c1ccccc1 225799544 YZLAFGUPZICFSZ-CVEARBPZSA-N 336.395 2.522 30 40 EFEB Cc1ccc(S(=O)(=O)[C@@H]2[C@@H](c3ccc(F)cc3)[C@@]2(C#N)C=O)cc1 242495708 GNCCHFLGTJKCIP-KZNAEPCWSA-N 343.379 2.783 30 40 EFEB C[C@@H]1CN(C(=O)CNc2cccc(C#Cc3cccs3)c2)CCO1 56395435 XHYHWWZPGDYOOV-OAHLLOKOSA-N 340.448 2.807 30 40 EFEB COc1ccccc1[C@H]1C(C(C)=O)=C(O)C(=O)N1c1ccc(O)cc1 80272 FYANWOCGCLVZDD-KRWDZBQOSA-N 339.347 2.890 30 40 EFEB C=C1[C@H]2CC[C@]3([C@@H]([C@H]2O)[C@@]24CCC[C@@]5(C)CN(CC)[C@@H]2[C@@H]3C[C@@H]45)[C@@H]1O 30726633 OVXLNQAYPUEDSI-ZAWREGRRSA-N 343.511 2.821 30 40 EFEB biogenic,in-vitro N#Cc1ccc(NCC(=O)Nc2cccc(C(=O)NC3CC3)c2)cc1 11549474 CECVGSQOUPAGCX-UHFFFAOYSA-N 334.379 2.501 30 40 EFEB CCCCCC[C@H](C)NC(=O)CSc1nc(N)cc(N)c1C#N 32776250 NXYQZBTVHKJAJP-NSHDSACASA-N 335.477 2.685 30 40 EFEB Cc1sc(NC(=O)CSc2nnnn2C(C)C)c(C#N)c1C 4883346 JUKCJOIAENMJRQ-UHFFFAOYSA-N 336.446 2.535 30 40 EFEB C=CCSc1nc(=O)c2c(n1C)NC(=O)C[C@H]2c1ccccc1 4944592 WIPCUUFMXOELLR-LBPRGKRZSA-N 327.409 2.533 30 40 EFEB CC1(C)CC(N/C=C2\C(=O)Oc3ccccc3C2=O)CC(C)(C)N1 100869387 VYPJRFFCMGTDSY-KAMYIIQDSA-N 328.412 2.571 30 40 EFEB COc1ccc(/C(O)=C2\C(=O)C(=O)N[C@H]2c2cccc(F)c2)cc1 102932213 VWNZMHFBGBVUGO-IDTYTIONSA-N 327.311 2.544 30 40 EFEB N#Cc1ccccc1S(=O)(=O)N1CCC[C@@H]1Cc1ccccc1 24474253 OOOWWAJJDYHQIX-QGZVFWFLSA-N 326.421 2.954 30 40 EFEB C[C@@H]1CCN(S(=O)(=O)CC#N)[C@H]1c1ccc(C(F)(F)F)cc1 108134547 PWRMCJFLJGJWNL-ZWNOBZJWSA-N 332.347 2.942 30 40 EFEB C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](CNCC(OC)OC)[C@H]3C[C@@H]12 12659874 QLQWTPOKMDDMPR-LAIHZFQQSA-N 337.460 2.509 30 40 EFEB biogenic C=CCNc1nnc(SCC(=O)Nc2nc(C)c(C)s2)s1 8744647 WSGMABKYJUAMLO-UHFFFAOYSA-N 341.487 2.940 30 40 EFEB N#Cc1cccnc1NC[C@H]1CCN(C[C@@H](O)c2cccc(F)c2)C1 65531075 QGKUBMGETATFFI-RDTXWAMCSA-N 340.402 2.560 30 40 EFEB N#Cc1ccc(C(=O)Nc2ccc(C(N)=O)cc2Br)cc1 65536752 BDFXQBVSEWEYPK-UHFFFAOYSA-N 344.168 2.672 30 40 EFEB COc1ccc(C[C@H](C)N(C)CC(=O)NC2(C#N)CCCC2)cc1 65608798 WZXVLUAQEWQUJM-HNNXBMFYSA-N 329.444 2.511 30 40 EFEB COc1ccc(OC)c([C@@H](C)NS(=O)(=O)c2cccc(C#N)c2)c1 8059124 LLTAPTFPXUGKBO-GFCCVEGCSA-N 346.408 2.615 30 40 EFEB CC(C)N(Cc1nnc(-c2cccc(C#N)c2)o1)C1CCOCC1 72685554 SKUDFUDFQNAKNT-UHFFFAOYSA-N 326.400 2.998 30 40 EFEB CCN(C[C@H](O)c1ccc(C)cc1)S(=O)(=O)c1cccc(C#N)c1 95433345 ROYXQPPTWPQJJA-SFHVURJKSA-N 344.436 2.611 30 40 EFEB CS(=O)(=O)NCCCSc1ccc(C#N)c(C(F)(F)F)c1 95997461 TUGBZQJBTKYJKD-UHFFFAOYSA-N 338.376 2.608 30 40 EFEB CC(C)(C#N)NC(=O)c1ccc(S(=O)(=O)c2ccccc2)s1 89620853 SAHYURJIDMAJEL-UHFFFAOYSA-N 334.422 2.613 30 40 EFEB N#CCCN(CCC#N)S(=O)(=O)Cc1cc(Cl)cc(Cl)c1 89764343 OTWBSJWFXNSCAB-UHFFFAOYSA-N 346.239 2.953 30 40 EFEB N#Cc1ccc(NC(=O)CCN2CCCC[C@H]2CCO)cc1Cl 78776821 CFUZMBGCKHLXSK-HNNXBMFYSA-N 335.835 2.777 30 40 EFEB N#Cc1cccc(OCC(=O)NC[C@H](O)c2ccc3ccccc3c2)c1 95394494 WGXRWCHVBVGMLT-FQEVSTJZSA-N 346.386 2.940 30 40 EFEB CCCCCCCCCn1cc(C2(S(N)(=O)=O)CCC2)nn1 1615571422 LOGXRVGWSUEZEI-UHFFFAOYSA-N 328.482 2.696 30 40 EFEB C[C@H](OC(=O)CCOc1ccccc1)C(=O)Nc1sccc1C#N 7130072 TVGUPYAZGDZRFW-LBPRGKRZSA-N 344.392 2.959 30 40 EFEB C/C(O)=C1\C(=O)[C@@H]2[C@@H]3c4c[nH]c5cccc(c45)C[C@H]3C(C)(C)N2C1=O 100006437 CNZIQHGDUXRUJS-QXQCEJBPSA-N 336.391 2.828 30 40 EFEB in-vitro CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)Cc1ccc(F)cc1 47010344 SGXWXXOWSCUUEM-UHFFFAOYSA-N 339.414 2.830 30 40 EFEB C[C@H](Sc1nnc2n1CCCCC2)C(=O)Nc1cccc(C#N)c1 24632872 SOSXMHQJLUCIFU-LBPRGKRZSA-N 341.440 2.995 30 40 EFEB N#Cc1cccc(C(=O)N[C@@H]2CCCN(C(=O)c3ccccc3)C2)c1 69454961 SYGFGCAYTGGIDO-GOSISDBHSA-N 333.391 2.593 30 40 EFEB N#C[C@@H](C(=O)[C@@H]1CC=CCC1)c1nc(N)nc(Nc2ccccc2)n1 49392864 CEFTWXOADVZPBM-OCCSQVGLSA-N 334.383 2.730 30 40 EFEB CCOc1ccccc1CCNS(=O)(=O)Cc1cccc(C#N)c1 69978190 OIIXHMCXVHDFMK-UHFFFAOYSA-N 344.436 2.619 30 40 EFEB C[C@H](c1nc(C2CC2)no1)N1CC[C@H](CNc2ccc(C#N)cn2)C1 65512142 JZZKJWJVSZHBTG-TZMCWYRMSA-N 338.415 2.709 30 40 EFEB COc1ccc(/C(N)=N/OCc2cc(Cl)c3c(c2)OCO3)cc1 71965285 DBXPHIKLWTZHJV-UHFFFAOYSA-N 334.759 2.914 30 40 EFEB CC[C@](C)(NCC(=O)NCC#Cc1ccccc1)c1nc(C)cs1 72305292 ZFPDCADTJZOHJX-IBGZPJMESA-N 341.480 2.834 30 40 EFEB C=CCOc1ccc(Br)cc1[C@H]1N[C@H](C(=O)O)CS1 408816408 LMOHLNXFNFVKQP-JQWIXIFHSA-N 344.230 2.802 30 40 EFEB CCOC(=O)[C@@H](NC(=S)N/N=C/c1ccccc1)c1ccccc1 96346061 QVWYDUULFLZKMF-HUCUOGIVSA-N 341.436 2.789 30 40 EFEB CC(C)(C)C(=O)/C(=C/c1ccc(C2OCCO2)cc1)n1cncn1 255190731 ZBNBOHXVARXTFQ-GDNBJRDFSA-N 327.384 2.937 30 40 EFEB CN(Cc1ccc(C#N)cc1)C(=O)CN1C(=O)CCCc2ccccc21 69484651 UZINKJSRVYWMAR-UHFFFAOYSA-N 347.418 2.886 30 40 EFEB CN(C)Cc1c(O)ccc2c1O/C(=C\c1cccc([N+](=O)[O-])c1)C2=O 20519175 GKFACZQRJYFECC-SXGWCWSVSA-N 340.335 2.978 30 40 EFEB C#CCOc1cc([C@@H]2SCC(O)=Nc3n[nH]cc32)ccc1OC 20730378 QCKGTYOYRMDFLH-HNNXBMFYSA-N 329.381 2.855 30 40 EFEB Cc1csc(=O)n1CC(=O)Nc1cccc(C#Cc2ccccn2)c1 23881795 NQEGMFGSMHLUCB-UHFFFAOYSA-N 349.415 2.652 30 40 EFEB N#Cc1cccnc1NCCOC(=O)c1ccc(Br)o1 62639857 JDDRCYMSBRTTTM-UHFFFAOYSA-N 336.145 2.578 30 40 EFEB N#Cc1ccc(CN2C(=O)C(=O)N(CCC3=CCCCC3)C2=O)cc1 14184953 AJJRCHXMPNBCNB-UHFFFAOYSA-N 337.379 2.740 30 40 EFEB O=S(=O)(N/N=C1/C[C@@H]2C=CC[C@@H]12)c1ccc(Br)cc1 5675255 WHAKSTRHLYVUCR-TUKVHPRHSA-N 341.230 2.679 30 40 EFEB COc1ccc2c(c1)C=C(C(=O)N[C@H](C#N)c1ccccc1F)CO2 87279531 FOUKVLVZHXAJOF-QGZVFWFLSA-N 338.338 2.991 30 40 EFEB N#C[C@@H](C(=O)Nc1ccc2c(c1)OCCO2)C(=O)[C@@H]1[C@H]2CCCC[C@H]21 521339556 CLEQTSLQZLEAIL-OEUWWYETSA-N 340.379 2.541 30 40 EFEB CCc1ccc([C@H]2[C@@H](S(=O)(=O)c3ccccc3)[C@@]2(C#N)CO)cc1 225653692 SQRPMXADNHPHRZ-OTWHNJEPSA-N 341.432 2.691 30 40 EFEB Cc1cc(C)nc(-n2cc(C(=O)O[C@H]3CCCC[C@H]3C#N)c(C)n2)n1 96442009 WCZKGLIUTSXLAJ-HOCLYGCPSA-N 339.399 2.827 30 40 EFEB CN(c1nn(-c2ccccc2[N+](=O)[O-])nc1C#N)C1CCCCC1 256049284 ZFEVNOWAKAFLOX-UHFFFAOYSA-N 326.360 2.816 30 40 EFEB CC(C)(C)c1nn2cnnc2n(/N=C/c2cccc3ccccc23)c1=O 1100612 HDYGIEMGFHTQHM-SRZZPIQSSA-N 346.394 2.619 30 40 EFEB COc1cc(C(=O)O/N=C2\C=C(C)C(=O)C=C2C)cc(OC)c1OC 5232144 ASQNBYMCDOCGTP-CPNJWEJPSA-N 345.351 2.701 30 40 EFEB CCOc1ccc2[nH]/c(=N\N=C3C(=O)CC(C)(C)CC3=O)sc2c1 125870 CARJVTQRCWBGLT-UHFFFAOYSA-N 345.424 2.843 30 40 EFEB C=CCNC(=O)CN1CCC(Cn2cnc3cc(C)c(C)cc32)CC1 38488547 GLRFSTYPTJIFDY-UHFFFAOYSA-N 340.471 2.667 30 40 EFEB N#Cc1nc(/C=C/c2ccc(F)cc2)oc1N1CCC(C(N)=O)CC1 20446622 FIFNBGYMAKDLOG-ZZXKWVIFSA-N 340.358 2.557 30 40 EFEB Cc1nc(-c2ccc(OCC(=O)NC3(C#N)CCCCC3)cc2)no1 40505106 OTMOQHMRVCNAML-UHFFFAOYSA-N 340.383 2.767 30 40 EFEB C=CCO[C@@H](C)/C(O)=N/S(=O)(=O)c1cccc(C(F)(F)F)c1 69283223 OBBZMKWOXFIEOK-VIFPVBQESA-N 337.319 2.942 30 40 EFEB C[C@H](Oc1ccc(F)cc1)c1ccnc2nc(/N=C/N(C)C)nn12 100327557 RSIZKHDFZMABKW-VSMYLPJWSA-N 328.351 2.625 30 40 EFEB Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N1C[C@@H](C)C[C@H](C)C1 24962569 DJQVRQRSMAMAAM-STQMWFEESA-N 339.443 2.655 30 40 EFEB C=CCN(Cc1ccc(OC)cc1)C(=O)CNC(=O)c1ccsc1 58333042 ITXYWXMDZOETJD-UHFFFAOYSA-N 344.436 2.701 30 40 EFEB O=C(C[C@H]1S/C(=N\C2CC2)NC1=O)Nc1ccc2ccccc2c1 12995503 WYLVRZNQMQEDDT-OAHLLOKOSA-N 339.420 2.918 30 40 EFEB CCC(=O)N1CCC[C@@H](C(=O)[C@@H](C#N)c2nc3ccccc3o2)C1 71803551 HIVOSVFBJRDTCM-CHWSQXEVSA-N 325.368 2.653 30 40 EFEB Cc1noc(C)c1C/C(O)=N/c1nc(Cc2cccc(F)c2)n[nH]1 97237375 DLHRZRMRTYDYKI-UHFFFAOYSA-N 329.335 2.970 30 40 EFEB FC(F)(F)c1ccc(N/N=C\c2ccc(N3CCOCC3)o2)nc1 409011445 NKUIJWBLYUXKKU-JMIUGGIZSA-N 340.305 2.976 30 40 EFEB CCS[C@@H]1C(C(=O)c2ccc(C)cc2)=C(CC(=O)O)C(=O)N1C 62716265 ACTQXKZPFUEOAE-QGZVFWFLSA-N 333.409 2.500 30 40 EFEB Cc1ccccc1S(=O)(=O)/N=C(O)/C=C/c1c(C)nn(C)c1C 78556424 WXEOCZLPWOMQHY-MDZDMXLPSA-N 333.413 2.704 30 40 EFEB CN(/C(N)=N/C[C@@H]1CCN(C)[C@H]1c1ccc(Cl)c(F)c1)C1CC1 252478965 AYDOUNSSBPBCRP-LRDDRELGSA-N 338.858 2.881 30 40 EFEB C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N1CCO[C@@H](c2ccc(F)cc2)C1 281785380 KVZBSLHQRPEQPR-NXHRZFHOSA-N 348.418 2.890 30 40 EFEB CS(=O)(=O)c1ccccc1-n1cc(NC2CCC(C#N)CC2)cn1 602592823 JBZVALLXRHLYKF-UHFFFAOYSA-N 344.440 2.770 30 40 EFEB N#CC1(NC(=O)CNc2ccc(-n3cccn3)c(Cl)c2)CCCC1 66825702 XJFVZCUGGYSPJT-UHFFFAOYSA-N 343.818 2.890 30 40 EFEB N#Cc1ccc(C(=O)NC[C@](O)(c2ccoc2)c2cccs2)cc1 240067810 SCQPZZGPKABFTE-SFHVURJKSA-N 338.388 2.879 30 40 EFEB C=CCn1c(O)c(C(=O)Nc2ccc(C)cn2)c(=O)c2ccccc21 6533891 OTMNQTQKQIMXMK-UHFFFAOYSA-N 335.363 2.849 30 40 EFEB CC(=O)[C@H]1CC[C@H]2[C@@H]3C[C@@H](O)C4=CC(=O)CC[C@]4(C)[C@H]3[C@H](O)C[C@]12C 4416468 KDHBHXVDYRGRDL-KDZLLLCRSA-N 346.467 2.665 30 40 EFEB in-vitro Cc1ccc(C(=O)/C(=C\N(C)C)c2nnnn2-c2ccccc2)cc1 4696788 IZGBQINBGUXDFA-GHRIWEEISA-N 333.395 2.756 30 40 EFEB O=C(N1CCCC1)C(F)(F)[C@@]1(F)OC(F)(F)C(F)(F)C1(F)F 108577089 IXEMMGRDKXHJCZ-SECBINFHSA-N 345.161 2.804 30 40 EFEB C=CCNC(=O)c1cnn2c(C(F)(F)F)cc(-c3ccco3)nc12 2780162 SMXOBTOLEWWXLR-UHFFFAOYSA-N 336.273 2.924 30 40 EFEB N#Cc1cnc(SCC(=O)c2ccc(Br)cc2)nc1N 23105887 LFXPUDMXSFFJSB-UHFFFAOYSA-N 349.213 2.668 30 40 EFEB Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N[C@H](C)c1ccc(F)cc1 12600241 XAARYWUHXXMJRZ-GFCCVEGCSA-N 341.386 2.813 30 40 EFEB COCCCn1c(C)c(C)c(C#N)c1NC(=O)CN1CCC[C@@H](C)C1 12806979 SDFUNLNRVUVGAR-CQSZACIVSA-N 346.475 2.684 30 40 EFEB CCCCN1C(=O)[C@@H](CC(=O)NCC)S/C1=N/c1ccccc1 13136141 LZQCVUXHBSXQFM-UFOSLELVSA-N 333.457 2.944 30 40 EFEB N#Cc1ccc(C(=O)NCC(=O)N2CCC[C@@H]2c2ccccc2)cc1 69519942 HXRGESRGCINVJN-GOSISDBHSA-N 333.391 2.652 30 40 EFEB C=CCOc1ccc(C(=O)N2CCC[C@H](n3ccnc3)C2)cc1OC 69917443 JRNCYJARRNVROC-INIZCTEOSA-N 341.411 2.934 30 40 EFEB O=S(=O)(/N=C(\O)Cc1ccccc1)c1c(Cl)nc2ccccn12 69980402 WXAXAVUFFNXIGN-UHFFFAOYSA-N 349.799 2.876 30 40 EFEB C#CCN1CCC(C(=O)Nc2cc(F)cc(N3CCCC3)c2)CC1 65624813 RYFJLTPSPSGITD-UHFFFAOYSA-N 329.419 2.710 30 40 EFEB CCOc1cccc(/C=N/Nc2nn3cnnc3c3ccccc23)c1O 4897961 BTJIRQMHDXBXFZ-VXLYETTFSA-N 348.366 2.828 30 40 EFEB C[C@@H]1CN(C)CCN1C(=O)/C=C/c1cn(CCC#N)c2ccccc12 89937772 ZBFFLDJLYHIMLJ-ROJDOSBLSA-N 336.439 2.731 30 40 EFEB C#CCN1CCC(C(=O)N[C@H](C)[C@H](OC)c2ccc(Cl)cc2)CC1 96412152 JLCMBJMJYDSKTE-KDOFPFPSSA-N 348.874 2.877 30 40 EFEB CC(C)(C)c1ccc(S(=O)(=O)CCNc2nccnc2C#N)cc1 71886578 ZZCGKOUXVAJRRN-UHFFFAOYSA-N 344.440 2.532 30 40 EFEB CN1CCCC[C@@H]1CN1CCN(c2cc(C#N)c3ccccc3n2)CC1 72290382 ZTRPDLLFOOEBBF-GOSISDBHSA-N 349.482 2.713 30 40 EFEB COc1ccc(S(=O)(=O)/N=C(\O)c2cccc(F)c2)cc1OC 95385804 MAUNBOGHEVXBOI-UHFFFAOYSA-N 339.344 2.536 30 40 EFEB CN1CCCC[C@H]1CCN1CCCN(Cc2ccc(C#N)cc2)CC1 75110471 CZFKXKNYKGXECZ-NRFANRHFSA-N 340.515 2.940 30 40 EFEB Cc1ccc(S(=O)(=O)N/N=C/c2ccc(Br)o2)cc1 409000951 ZFNXJUBOLHIIHU-RIYZIHGNSA-N 343.202 2.663 30 40 EFEB CC(C)c1cc(-c2cnc(NC[C@H]3CCCO3)nc2)c(C#N)c(N)n1 67846657 SEWXDSFPPAFNPN-CYBMUJFWSA-N 338.415 2.707 30 40 EFEB N#CC1CCN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)CC1 61585337 AUUFPTPTXXWLDN-UHFFFAOYSA-N 328.372 2.571 30 40 EFEB CC(C)[C@H](C#N)N1CCN(C(=O)[C@H]2C[C@@H]2c2cc(F)ccc2F)CC1 96423658 GFKRJPYJODACSO-HFTRVMKXSA-N 347.409 2.761 30 40 EFEB Cc1ccc(S(C)(=O)=O)cc1C(=O)OCC#Cc1ccccc1 58192987 UHOLRVZRBURLRW-UHFFFAOYSA-N 328.389 2.607 30 40 EFEB Cc1ccc(NC2CCN(CC(=O)N(C)C(C)(C)C#N)CC2)cc1 69565858 PIGRQSHTANFCLA-UHFFFAOYSA-N 328.460 2.632 30 40 EFEB CCOC(=O)[C@@]1(CC#N)CN(C(=O)OC(C)(C)C)CCC1(F)F 169805778 VAENFZJIMIXIPC-CQSZACIVSA-N 332.347 2.726 30 40 EFEB CC(C)NC(=O)c1ccc(-n2cccn2)c(C#Cc2cccnc2)c1 12132133 OBTAEHLPSSNPAQ-UHFFFAOYSA-N 330.391 2.805 30 40 EFEB CN1C(=O)N[C@H](c2ccccc2[N+](=O)[O-])C2=C1CC(C)(C)CC2=O 2550481 JOQDCBZVWSSHEO-OAHLLOKOSA-N 329.356 2.934 30 40 EFEB COC(=O)c1ccc(/C=N/OCC(=O)Nc2cc(F)ccc2F)cc1 2646712 KFHJVNYTDRBHOC-AWQFTUOYSA-N 348.305 2.741 30 40 EFEB CCN(C(=O)c1ccc(C#N)c(C)n1)[C@H]1CCN(c2ccccc2)C1=O 69666775 JQWHFKYXTFLUSS-SFHVURJKSA-N 348.406 2.529 30 40 EFEB C=C(C)COc1cccc(NC(=O)C(=O)NCc2nc(C)cs2)c1 65620925 VJLFFKRIMBZLAL-UHFFFAOYSA-N 345.424 2.661 30 40 EFEB Cc1nc(NC(=O)C2CCN(c3ccc(C#N)cn3)CC2)sc1C 14778995 FLOIMZCIEJLMEJ-UHFFFAOYSA-N 341.440 2.882 30 40 EFEB Cc1cc(C)nc(-n2ncc(C#N)c2NC(=O)c2ccccc2F)n1 6764222 HBCRVBXIRKYJHZ-UHFFFAOYSA-N 336.330 2.542 30 40 EFEB N#Cc1ccc(NC[C@H]2COC3(CCOCC3)O2)cc1C(F)(F)F 95990677 RRMGIKKZLABCSK-ZDUSSCGKSA-N 342.317 2.911 30 40 EFEB CC/N=C(/NCCc1ccc(OC)cc1Cl)NCc1ccon1 95975826 VEEDEYNSUCCSHQ-UHFFFAOYSA-N 336.823 2.634 30 40 EFEB C#CCN1C(=O)S/C(=C/c2cc(Br)ccc2O)C1=O 409039123 BNNKVWHDEZQBHP-YRNVUSSQSA-N 338.182 2.824 30 40 EFEB C=CCOc1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 78544045 CYKSWBIHLFIWNF-UHFFFAOYSA-N 334.353 2.960 30 40 EFEB CC(C)(C)OC(=O)N1CCC2(CC1)CCN2C[C@@H](C#N)CCC#N 193751314 PLLLZLLJIZUDMW-OAHLLOKOSA-N 332.448 2.905 30 40 EFEB CC(=O)[C@@]12O[C@@H]1C[C@@H]1[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@H](O)C[C@@]12C 253618166 XPOFTPYDSZJRKX-YAOKXXDHSA-N 344.451 2.826 30 40 EFEB CCC(=O)N1CCC[C@H]1[C@@H]1CCCN1CCOc1ccc(C#N)cc1 69668464 RBCGGIZIDHWPQT-OALUTQOASA-N 341.455 2.802 30 40 EFEB N#Cc1ccc(N2CCC(C(=O)Nc3ccc(Cl)cn3)CC2)nc1 40489038 NMABHJAZUSSJHS-UHFFFAOYSA-N 341.802 2.857 30 40 EFEB COc1ccc(C(=O)COC(=O)COc2ccccc2C#N)cc1F 7425112 DRNZXXRCFFZMOL-UHFFFAOYSA-N 343.310 2.511 30 40 EFEB C=CCOC(=O)C1=C(C)Nc2ncnn2[C@H]1c1ccccc1Cl 2916781 CSFZLRRLKCEICT-AWEZNQCLSA-N 330.775 2.950 30 40 EFEB C[C@@H](c1cccc(S(N)(=O)=O)c1)N(C)Cc1cc(C#N)ccc1F 57843251 PDXOSUVOBZAHIL-LBPRGKRZSA-N 347.415 2.538 30 40 EFEB CSc1ccc(Cl)c(C(=O)OCC(=O)N(C)CCC#N)c1 3277356 RMRHZDJSQNRJGW-UHFFFAOYSA-N 326.805 2.591 30 40 EFEB COc1ccc([C@@H](C#N)NC(=O)c2cc(C(C)C)[nH]n2)c(OC)c1 78510875 VIFOHWTVSWXLQQ-OAHLLOKOSA-N 328.372 2.545 30 40 EFEB N#Cc1ccc(OCC(=O)N2CCCN(Cc3ccccc3)CC2)cc1 10707816 SSVHGACNPMRNJR-UHFFFAOYSA-N 349.434 2.672 30 40 EFEB Cc1nc2sc(C(=O)OCc3cccc(C#N)c3)c(C)c2c(=O)[nH]1 5311334 RFVUPJSJTFYPEM-UHFFFAOYSA-N 339.376 2.830 30 40 EFEB N#Cc1ccc(C(F)(F)F)c(NC[C@H]2COC3(CCOCC3)O2)c1 97163672 SJCDVTGRBDQBOR-LBPRGKRZSA-N 342.317 2.911 30 40 EFEB CCc1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(C#N)cc3)C2=O)cc1 408985912 YSSVCIQUUMQWOV-BOPFTXTBSA-N 345.358 2.787 30 40 EFEB C=C[C@](C)(CC)C(=O)N1CCCN(C(=O)c2ccc(OC)cc2)CC1 195574426 LLXCVIMTAUZFTH-HXUWFJFHSA-N 344.455 2.972 30 40 EFEB Cn1cc(/C=N/N2C(=O)[C@H]3[C@@H]4C=C[C@@H]([C@@H]3C2=O)[C@@H]2C[C@H]42)c2ccccc21 226669085 UPHRIRMXYZVLDE-RTQGTLTFSA-N 345.402 2.565 30 40 EFEB Cc1cc/c(=N/S(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)[nH]c1 83577284 LDVGPHTXBGAMLV-UHFFFAOYSA-N 341.314 2.503 30 40 EFEB CN1CCN(CCCSc2nc3c(cc2C#N)CCCC3)CC1 97098582 YUKDFTCRDHJZBZ-UHFFFAOYSA-N 330.501 2.562 30 40 EFEB Cn1cc(C#N)cc1C(=O)N1CCCCC[C@@H]1C[C@@H](O)c1ccco1 96472294 WAPHTTTVWPAPPZ-NVXWUHKLSA-N 341.411 2.998 30 40 EFEB N#Cc1ncccc1S(=O)(=O)NC1(c2c(F)cccc2F)CCC1 599526609 ZCIINQFPJCDZJA-UHFFFAOYSA-N 349.362 2.589 30 40 EFEB Cc1ccc(C(=O)CN2C(=O)N[C@@](C)(c3cccc(C#N)c3)C2=O)cc1 58201810 WBJGOXDQWHCHRD-FQEVSTJZSA-N 347.374 2.517 30 40 EFEB C#CCN1CCC(C(=O)N2CCC[C@H]2CC(=O)c2ccccc2)CC1 85490898 WQDRCTWJNKPECG-IBGZPJMESA-N 338.451 2.596 30 40 EFEB C=CCOC(=O)[C@H]1CC=CC[C@H]1C(=O)Nc1ccc(NC(C)=O)cc1 5027311 ZTAVIYQYJMCSDZ-SJORKVTESA-N 342.395 2.895 30 40 EFEB COc1ccc(/C(C)=N\N2CCN(c3ccccn3)CC2)cc1OC 1476816 JWCIRZMHBQAARR-QNGOZBTKSA-N 340.427 2.645 30 40 EFEB COC[C@@H]1CC2(CCN(C(=O)C3(C#N)CCCC3)CC2)CN1C(C)C 1614933120 FVOYKHDFLGCABM-KRWDZBQOSA-N 347.503 2.808 30 40 EFEB COC(=O)CCC(Nc1ccccc1O)=C1C(=O)CC(C)(C)CC1=O 1440367 BBARWYSNINNLRT-UHFFFAOYSA-N 345.395 2.970 30 40 EFEB O=C1CCCC2=C1[C@@H](c1cccc(Br)c1)NC(=S)N2 2601620 BXJMXKODSUWFTQ-CYBMUJFWSA-N 337.242 2.975 30 40 EFEB CC(=O)c1c(C)[nH]c(C(=O)NCCNc2cccc(F)c2C#N)c1C 32934734 DJXTZHPIZJSZHK-UHFFFAOYSA-N 342.374 2.687 30 40 EFEB CCCCCCCCNCCNC(=O)c1cccc([N+](=O)[O-])c1O 100927953 BLRBMMWCIXEQOU-UHFFFAOYSA-N 337.420 2.980 30 40 EFEB CC(=O)Nc1ccc(S(=O)(=O)/N=C(\O)Cc2ccc(C)cc2)cc1 42234925 VEKXAGYNTPXREE-UHFFFAOYSA-N 346.408 2.841 30 40 EFEB N#Cc1ccc(/C=C2/CCn3c2nc2ccc([N+](=O)[O-])cc2c3=O)o1 104208328 IMILWNJAADBODV-YFHOEESVSA-N 334.291 2.714 30 40 EFEB C=CCn1c(C)nnc1S[C@H](C)C(=O)N1CCc2sccc2C1 23515225 RMTJRGOZCXPEEB-LLVKDONJSA-N 348.497 2.900 30 40 EFEB N#Cc1cc([N+](=O)[O-])ccc1NC1CCN(C(=O)c2ccoc2)CC1 24206642 GDKOXRSHSFLEGW-UHFFFAOYSA-N 340.339 2.776 30 40 EFEB CN/N=C/c1cn(-c2ccccc2)nc1-c1ccc2c(c1)OCCO2 3356586 CKIXASQXZCSPCB-CIAFOILYSA-N 334.379 2.864 30 40 EFEB C[C@H](Nc1ccc2c(c1)OCCO2)C(=O)Nc1sccc1C#N 28906812 YRLRYLFZWMDZDF-JTQLQIEISA-N 329.381 2.830 30 40 EFEB Cc1noc(C)c1C(=O)OCC(=O)Nc1ccccc1SCC#N 3450291 KDAHLETZUPXXMP-UHFFFAOYSA-N 345.380 2.703 30 40 EFEB Cc1ccc(S(=O)(=O)/N=C(\O)CCNC(=O)OC(C)(C)C)cc1 48421860 MFGWITSPUKXOEP-UHFFFAOYSA-N 342.417 2.555 30 40 EFEB Cc1ccc(S(=O)(=O)CCC(=O)Nc2sccc2C#N)cc1 12922389 OPWQVMMPJMFZSA-UHFFFAOYSA-N 334.422 2.731 30 40 EFEB CCCNc1ccc(C#N)cc1NC(=O)COc1c(C)nn(C)c1C 89960223 IKMLZVLEOMXQAC-UHFFFAOYSA-N 341.415 2.748 30 40 EFEB CNC(=S)N/N=C/c1ccc(OCC(C)C)c(Br)c1 408600709 FGEFKHBJMNPYOL-FRKPEAEDSA-N 344.278 2.912 30 40 EFEB N#CCc1ccc(OCCNc2ncc(Br)cn2)cc1 71907733 HHEINCKZWZFLLM-UHFFFAOYSA-N 333.189 2.796 30 40 EFEB CC(=O)[C@H]1CC[C@H]2[C@@H]3C[C@H](O)C4=CC(=O)CC[C@]4(C)[C@H]3C(=O)C[C@]12C 118917616 OQHBUJSFKDUFCW-CQMXKPHISA-N 344.451 2.873 30 40 EFEB N#CC1(NC(=O)CSc2nc(-c3ccccc3)n[nH]2)CCCC1 7472681 FPGBIYNJOKSJMX-UHFFFAOYSA-N 327.413 2.516 30 40 EFEB C[C@@H](OC(=O)[C@@H]1CCCN(C(=O)C2CC2)C1)c1ccc(C#N)cc1 96451147 YOFAKGMYWSYNOV-CXAGYDPISA-N 326.396 2.811 30 40 EFEB COc1ccc([C@@H]2[C@@H](C=O)[C@H]2S(=O)(=O)c2ccc(C)cc2)cc1 242498689 HNVVXYXHMCZPPI-KZNAEPCWSA-N 330.405 2.758 30 40 EFEB CN(Cc1ccccc1C(C)(C)C#N)[C@@H]1CCC[C@H]1S(C)(=O)=O 248031254 IDCKWBPWHFULMZ-IAGOWNOFSA-N 334.485 2.885 30 40 EFEB Cc1cccc(N(CC(C)(C)C)S(=O)(=O)c2ccc(C#N)nc2)n1 585128933 RFRSYLVEXTXFRM-UHFFFAOYSA-N 344.440 2.898 30 40 EFEB O=C1[C@H]2[C@@H]3C=C[C@H]([C@@H]4C[C@H]34)[C@H]2C(=O)N1/N=C/c1c[nH]c2ccccc12 169305925 KHLAISZHHLNBQU-JCERVXRFSA-N 331.375 2.555 30 40 EFEB CCN1C[C@H](CN(C)c2nnc(C)c(C)c2C#N)Oc2ccccc21 78783267 UXSWECNLJVONKI-HNNXBMFYSA-N 337.427 2.689 30 40 EFEB CN(Cc1cnn(-c2ccccc2)c1)C(=O)COc1cccc(C#N)c1 44892036 JBUCESWZQDTTRB-UHFFFAOYSA-N 346.390 2.781 30 40 EFEB C=CCn1c(C)cc(C(=O)Cn2nc(-c3ccco3)oc2=O)c1C 14142323 JTIVCCLKHXHUFA-UHFFFAOYSA-N 327.340 2.584 30 40 EFEB O=C1CSC(N/N=C/c2ccc(OCc3ccc(F)cc3)cc2)=N1 4616099 ZPLOXHYCDIBLRH-DJKKODMXSA-N 343.383 2.958 30 40 EFEB Cc1cc(=O)c(C(=O)N[C@H](C#N)c2cc(Cl)cc(Cl)c2)c[nH]1 81370464 QMDYUBYMKPVXIO-CYBMUJFWSA-N 336.178 2.985 30 40 EFEB CC(=O)N1CCC[C@@H]1[C@H]1CCCN1Cc1cn2ccccc2c1C#N 71880922 ITDUWOIOHTYXTD-WOJBJXKFSA-N 336.439 2.786 30 40 EFEB C[C@H](Oc1ccc(C#N)cc1)C(=O)N1CCCC[C@@H]1Cn1cccn1 71865010 IYRBLULSAFKIIV-DOTOQJQBSA-N 338.411 2.603 30 40 EFEB Cc1c(C(=O)NC(C)(C)C#N)cc(Br)cc1[N+](=O)[O-] 97094604 AXSXRDOZIUAFOM-UHFFFAOYSA-N 326.150 2.698 30 40 EFEB N#CCn1cc(C(=O)N2CCC[C@@H](n3cccn3)C2)c2ccccc21 72283092 GTTRKKSLFDYPPC-OAHLLOKOSA-N 333.395 2.839 30 40 EFEB C#CC[C@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1C)c1ccccc1 89591304 UBWIFIMPMUOFOP-INIZCTEOSA-N 344.392 2.946 30 40 EFEB C[C@H](Oc1ccc(/C=N\NC(=S)Nc2ccccc2)cc1)C(=O)O 33498418 GENSYRAGHSPTPK-SJWFJVLYSA-N 343.408 2.859 30 40 EFEB Cc1ccc([C@H]2CCCCCN2S(=O)(=O)N(C)CCC#N)o1 96415070 ZDMLKDCCHGJRLG-CQSZACIVSA-N 325.434 2.595 30 40 EFEB Cc1ccc(S(=O)(=O)[C@@H]2[C@@H](c3ccccc3)[C@]2(C#N)C(=O)O)cc1 242592249 OOXUYCOASAGSJW-NUJGCVRESA-N 341.388 2.529 30 40 EFEB C[C@@]1(c2ccccc2F)NC(=O)N(Cc2ccc(C#N)cc2F)C1=O 58292672 XQTNICWKPALUSI-SFHVURJKSA-N 341.317 2.804 30 40 EFEB CCOC(=O)CCCOc1ccc(B2OC(C)(C)C(C)(C)O2)cc1 196236317 ULQLSUMGMISQGT-UHFFFAOYSA-N 334.221 2.708 30 40 EFEB C=CCNC(=O)C1(C[C@H]2CC(c3ccc(F)cc3)=NO2)CCOCC1 12226154 OOKXVHCQMJDFFS-MRXNPFEDSA-N 346.402 2.808 30 40 EFEB C=C[C@](C)(O)[C@@H]1C[C@@H]2[C@]3(C)CCCC(C)(C)[C@@H]3[C@H](O)[C@@H](O)[C@]2(C)O1 248040147 UNORIIWPFZFSEC-SVNASUDNSA-N 338.488 2.655 30 40 EFEB biogenic,in-vitro N#Cc1cc(SCCC(=O)O)c(-n2nnc3ccccc32)cc1C#N 8040502 OCMDSMUMGKVZNH-UHFFFAOYSA-N 349.375 2.731 30 40 EFEB N#C[C@@H](C(=O)CCc1ccc(C(F)(F)F)cc1)C(=O)N1CCCC1 102762601 LRVYESJWRIYFHQ-AWEZNQCLSA-N 338.329 2.969 30 40 EFEB C[C@@]1(C(F)(F)F)C[C@@](O)(C(F)(F)F)C[C@](O)(C(F)(F)F)O1 100045364 ZHZPKMZKYBQGKG-HCWXCVPCSA-N 336.150 2.662 30 40 EFEB C=CCNc1nc(C(=O)OCC(=O)N(C)C2CCCCC2)cs1 3569233 YJUCXNASRRFSPM-UHFFFAOYSA-N 337.445 2.689 30 40 EFEB N#Cc1ccc(Oc2cccc(C(=O)N[C@@H]3CCCCNC3=O)c2)cc1 69519991 NYESOLJRQUNXQI-GOSISDBHSA-N 349.390 2.749 30 40 EFEB Cc1oc(NC(=O)COC(=O)c2ccc3c(c2)COC3)c(C#N)c1C 64691368 FQLLOCBFBIFGLH-UHFFFAOYSA-N 340.335 2.594 30 40 EFEB CCN1C[C@@H](C(=O)Nc2ccccc2SC[C@@H](C)C#N)CC1=O 65453498 GIAFWYWWYMYWLB-STQMWFEESA-N 331.441 2.745 30 40 EFEB N#CCC(=O)NC1CCC(CC2CCC(NC(=O)CC#N)CC2)CC1 5896587 MNPQZMBRVKSCDW-UHFFFAOYSA-N 344.459 2.554 30 40 EFEB CCN(C[C@H]1CCN(C(=O)c2sccc2C#N)C1)CC(F)(F)F 96448339 BSSAURGYJAKHIO-LLVKDONJSA-N 345.390 2.966 30 40 EFEB Cc1csc([C@H](C#N)C(=O)[C@H]2CCCN(C(=O)C(C)(C)C)C2)n1 71803520 FZFGWQPYVGMHDW-QWHCGFSZSA-N 333.457 2.913 30 40 EFEB N#C[C@@H](NC(=O)CC1(O)CCCCC1)c1cnn(-c2ccccc2)c1 73424557 SLVZGWDCDUARFR-QGZVFWFLSA-N 338.411 2.638 30 40 EFEB N#Cc1cc2c(N)c(C(=O)Nc3ccc(F)cc3F)sc2nc1N 20000479 XENYKZSKYOFCBU-UHFFFAOYSA-N 345.334 2.863 30 40 EFEB CC[C@H](CC#N)NC(=O)Nc1ccc(-c2nnnn2C(C)C)c(F)c1 97096265 FWPOLBTZURCTDZ-LLVKDONJSA-N 345.382 2.874 30 40 EFEB C/C=C1\C[N@+]2(CC)CC[C@]34c5cccc(O)c5N[C@H]3[C@@H](C=O)[C@H]1C[C@H]42 585153193 HCWGCPNDPRYCOT-ZHYSLIQHSA-O 339.459 2.828 30 40 EFEB biogenic,in-vitro C/C(=N\NC1=NS(=O)(=O)c2ccccc21)c1ccc2c(c1)CCC2 45871376 WCKAARTXFKOQJZ-XDHOZWIPSA-N 339.420 2.638 30 40 EFEB CC(C)c1noc(CN2CCC[C@H](COc3cc(C#N)ccn3)C2)n1 1775995895 MKLXCJGEWXLEQJ-HNNXBMFYSA-N 341.415 2.751 30 40 EFEB COc1cccc([C@@H]2C(C(C)=O)=C(O)C(=O)N2Cc2ccco2)c1 34866 JJKDBGRWJQFFPS-MRXNPFEDSA-N 327.336 2.773 30 40 EFEB CCCNc1ccc(C#N)cc1NC(=O)[C@H](C)Sc1nncn1C 76042068 DSFNCPXFCCXNJJ-NSHDSACASA-N 344.444 2.628 30 40 EFEB COc1ccccc1N1CCN(C(=O)c2ccc(N=[N+]=[N-])nc2)CC1 108517927 IISKWAHHPKCWCP-UHFFFAOYSA-N 338.371 2.994 30 40 EFEB COc1ccc(N2CC(=O)C(c3nc4ccc(C)cc4[nH]3)=C2N)cc1 5182843 SAPQVSSGMMBGNB-UHFFFAOYSA-N 334.379 2.597 30 40 EFEB CN(C(=O)CSc1nnc2ccccn12)C1(C#N)CCCCC1 5213002 OCHMIVJPNBTWTG-UHFFFAOYSA-N 329.429 2.506 30 40 EFEB COC(=O)c1ccc(NC(=O)[C@@H](C)Oc2ccc(C#N)cc2)c(F)c1 65523914 QLZLRUYSHBCLQL-LLVKDONJSA-N 342.326 2.890 30 40 EFEB COc1ccc(-c2csc(C3=C(N)N(C(C)C)CC3=O)n2)cc1 8990325 LSZQCQMLPNDGEN-UHFFFAOYSA-N 329.425 2.739 30 40 EFEB C[C@@H](OC(=O)CCOc1ccccc1)C(=O)Nc1ccccc1C#N 8008827 BESDPRZANPHBNW-CQSZACIVSA-N 338.363 2.898 30 40 EFEB CCOc1ccc(C2(CN=C(N(C)C)N(C)C)CCOCC2)cc1 97001330 LOADERMMWSVYJB-UHFFFAOYSA-N 333.476 2.613 30 40 EFEB Cc1nnc(SCc2cc(=O)n3cccc(C)c3n2)c(C#N)c1C 97080582 QVIQSSQFTSCDLP-UHFFFAOYSA-N 337.408 2.574 30 40 EFEB N#Cc1c(N2CCC[C@H]2c2nnc3n2CCCCC3)nc2ccccn12 97082364 SYNLYDHBXWIBMH-AWEZNQCLSA-N 347.426 2.865 30 40 EFEB CC[C@H]1CN(C(=O)C(C)C)CC[C@H]1NCc1ccc(OC)c(C#N)c1 84736299 KGUXUSYLTOJUGY-FUHWJXTLSA-N 343.471 2.940 30 40 EFEB CCc1ccc([C@H]2[C@@H](S(=O)(=O)c3ccccc3)[C@@]2(C#N)C=O)cc1 225661055 FFZBHABZJUTCEQ-OTWHNJEPSA-N 339.416 2.898 30 40 EFEB N#C[C@@H](NC(=O)CC1(N2CCOCC2)CCCC1)c1ccccc1F 73336572 UHMJPZDAXDDGKM-QGZVFWFLSA-N 345.418 2.542 30 40 EFEB CC(C)CNC(=O)C1CCN(c2oc(-c3ccco3)nc2C#N)CC1 40511906 RDOGMUZNHCRTLH-UHFFFAOYSA-N 342.399 2.795 30 40 EFEB N#Cc1ccc(NC(=O)C(=O)Nc2ccc(Cl)cn2)cc1Cl 69776465 NXNFGCQGIAURDG-UHFFFAOYSA-N 335.150 2.837 30 40 EFEB COc1ccc(/C=N/N(CCO)C(=S)Nc2ccccc2)cc1 3260372 KMASAEVCDOBCEP-QGOAFFKASA-N 329.425 2.720 30 40 EFEB CCCOc1c(Cl)cc(C(=O)N2CCOC[C@H]2C#N)cc1OC 76042278 DNDROUSCEVXKMN-GFCCVEGCSA-N 338.791 2.502 30 40 EFEB COc1cc(/C(O)=N/S(=O)(=O)Cc2ccccc2)cc(OC)c1C 48595851 AWMDKQTWKJFFJO-UHFFFAOYSA-N 349.408 2.847 30 40 EFEB C/N=C(/NCc1ccc(C(=O)N(C)C)cc1)N[C@@H](C)c1ccccc1 69514248 IXHXLXBLGKTKRK-HNNXBMFYSA-N 338.455 2.815 30 40 EFEB N#Cc1cccc(C(=O)N2C[C@@H](O)C[C@@H]2c2cc(F)ccc2F)c1 91761808 CNVIPCYSVQMXCG-WMLDXEAASA-N 328.318 2.785 30 40 EFEB CC(C)[C@](C)(C#N)NC(=O)CN1CCO[C@H](c2ccccc2Cl)C1 69616088 HROYYQABLBCGRG-WMZOPIPTSA-N 349.862 2.768 30 40 EFEB CN(C)c1nc(N)nc(COc2ccc(-c3ccc(C#N)cc3)cc2)n1 14074875 WKYUBFBZGLCXAW-UHFFFAOYSA-N 346.394 2.637 30 40 EFEB N#Cc1ncn(CC(=O)N(Cc2ccc(F)cc2)C2CCCCC2)n1 14144198 RVIUZKQIJGDNHA-UHFFFAOYSA-N 341.390 2.650 30 40 EFEB COc1ccc(/C=C/C(=O)c2ccc3c(c2)NC(=O)CO3)cc1OC 7333657 IRQBZFJGADSPON-ZZXKWVIFSA-N 339.347 2.931 30 40 EFEB Cc1sc(NC(=O)[C@H]2CC(=O)N(CC(F)(F)F)C2)c(C#N)c1C 84061902 FCOXPVFPMMVVQR-VIFPVBQESA-N 345.346 2.586 30 40 EFEB N#Cc1cc(Br)ccc1N1CCC[C@@H](Cn2cncn2)C1 97083865 TWDBQCIXAVUSOS-GFCCVEGCSA-N 346.232 2.829 30 40 EFEB N#Cc1cccc(CNC[C@H](c2cccc(F)c2)N2CCOCC2)c1 71834587 GQSHHQJJICSOBT-HXUWFJFHSA-N 339.414 2.860 30 40 EFEB COc1cc2c(cc1OC)C(=O)/C(=C\c1cc(O)c(O)c(OC)c1)C2 85875512 ALKWQYOVOSVLCN-QCDXTXTGSA-N 342.347 2.946 30 40 EFEB biogenic COCCN(Cc1ccc(C)o1)C(=O)NCC#Cc1ccccc1 89656044 KEIFIPCHFQFUOF-UHFFFAOYSA-N 326.396 2.798 30 40 EFEB C#CCOCC1CCN(S(=O)(=O)c2ccc3c(c2)CCCC3)CC1 49028968 YPQZGHFBOXDBDR-UHFFFAOYSA-N 347.480 2.616 30 40 EFEB N#Cc1nccnc1O[C@H]1CC[C@H](NC(=O)[C@@H]2CC=CCC2)CC1 244933258 CJMVXMRBVKXQMQ-RBSFLKMASA-N 326.400 2.511 30 40 EFEB COc1ccc(CN2CCC[C@H]2c2ccc(N(C)C)nn2)cc1C#N 591616792 SFQYYXXRWMWXOX-KRWDZBQOSA-N 337.427 2.760 30 40 EFEB N#Cc1cc(Br)ccc1NCCCO[C@@H]1CCOC1 96008512 SRLRIHICTAQGBZ-CYBMUJFWSA-N 325.206 2.928 30 40 EFEB C#C[C@]1(O)CC[C@H]2[C@@H]3C[C@@H](O)C4=CC(=O)CC[C@H]4[C@H]3CC[C@@]21CC 1569995728 LUDPEOWAWHAHEP-QZNZIJKLSA-N 328.452 2.853 30 40 EFEB N#Cc1ccccc1Cn1cc(/C=N/NC(N)=S)c2ccccc21 1098408 HVMGJFDCGNKHAW-UFFVCSGVSA-N 333.420 2.728 30 40 EFEB CCc1nc(CN2CCN(C(=O)C3(C#N)CCCCC3)CC2)cs1 57433802 HYIBDRUSYBTWJV-UHFFFAOYSA-N 346.500 2.824 30 40 EFEB N#Cc1ccc(N2CCN(Cc3nnsc3Cl)CC2)c(F)c1 58341347 VEUBZEBGAFMOOF-UHFFFAOYSA-N 337.811 2.524 30 40 EFEB CCN(CC)c1ccc(/C=N/Nc2nnnn2-c2ccccc2)cc1 4140931 VYMSQFMLRIREAP-XMHGGMMESA-N 335.415 2.955 30 40 EFEB C=C[C@@H](C)NC(=O)N1CCO[C@H](c2cccc(OC(F)F)c2)C1 95442768 RPMZUMGVUSXDHP-RISCZKNCSA-N 326.343 2.945 30 40 EFEB CCOC(=O)/C(=N/Nc1ccccc1Cl)N1C[C@@H](C)O[C@H](C)C1 33797450 ZLFSWGJKLUHBMU-PQXDSQRDSA-N 339.823 2.738 30 40 EFEB N/C(=N\c1cccc(Br)c1)Nc1ccc([N+](=O)[O-])cn1 225236335 BQBUHYTUUDCYIQ-UHFFFAOYSA-N 336.149 2.811 30 40 EFEB Cc1cc(Br)cc(S(=O)(=O)N(C)C(C)(C)C#N)c1 195573185 CLKZPEUCJKXJIY-UHFFFAOYSA-N 331.235 2.680 30 40 EFEB C=CCO[C@@H]1CCN(Cc2ccc(OC)cc2)[C@H]1Cc1cnn(C)c1 96200242 WVPDYZTZCKBURT-VQTJNVASSA-N 341.455 2.817 30 40 EFEB N=c1ccc(OC(C(F)(F)F)(C(F)(F)F)C(F)(F)F)n[nH]1 604221665 PHSVBQVZWJASOY-UHFFFAOYSA-N 329.122 2.694 30 40 EFEB Cc1nc(Nc2nc(C)c3cc4c(cc3n2)CCC4)[nH]c(=O)c1CC#N 14165337 MCVVGKLUHVFZCR-UHFFFAOYSA-N 346.394 2.628 30 40 EFEB O=C1CSC(N/N=C/c2cccc(OCc3ccc(F)cc3)c2)=N1 6225060 UVXKRHWCOJTYBQ-DJKKODMXSA-N 343.383 2.958 30 40 EFEB N#Cc1ccsc1NC(=O)COC(=O)CCC(=O)c1cccs1 5787320 YJZLVAPKEBQODA-UHFFFAOYSA-N 348.405 2.826 30 40 EFEB N#Cc1ccc(N2C[C@H]3CN(c4nc5ccccc5o4)C[C@@H]3C2)nc1 1888906298 SWDUIUDMZHDULA-GJZGRUSLSA-N 331.379 2.667 30 40 EFEB CC(=O)N1CCc2c(sc(NC(=O)Cc3ccccc3)c2C#N)C1 4275229 PTUAOTVLLMVTQF-UHFFFAOYSA-N 339.420 2.706 30 40 EFEB C=CCOC(=O)c1sc2nc(-c3cccnc3)[nH]c(=O)c2c1C 32686354 NPPZDROSNMWRHX-UHFFFAOYSA-N 327.365 2.698 30 40 EFEB COc1cccc(-c2nnc(SCc3ccc(C#N)cc3)n2N)c1 533045 GGXNZTTXYURTLD-UHFFFAOYSA-N 337.408 2.831 30 40 EFEB N#Cc1cc([N+](=O)[O-])ccc1N1CCC(C(=O)N2CCCCC2)CC1 24154099 WTWBZWVDLQHXSR-UHFFFAOYSA-N 342.399 2.695 30 40 EFEB N#Cc1cccc(NS(=O)(=O)c2ccc(Cl)c(C(=O)O)c2)c1 12521296 IOIUFUNCHYHTTP-UHFFFAOYSA-N 336.756 2.711 30 40 EFEB C=CCOc1ccc(CN(C)C(=O)c2n[nH]c(=O)c3ccccc23)cc1 36623526 FULMRDWXKJBGOH-UHFFFAOYSA-N 349.390 2.760 30 40 EFEB C#CCN1CCC(C(=O)N[C@H](C)COc2c(C)cccc2C)CC1 65576811 DOVMUGUHBBNKPN-QGZVFWFLSA-N 328.456 2.532 30 40 EFEB N#Cc1ccc(C(=O)N2CCN(C(=O)CC3CCCCC3)CC2)cc1 65627070 RZOAXMDBMYTDAW-UHFFFAOYSA-N 339.439 2.813 30 40 EFEB CC1=C[C@H]2OC3(C(=O)c4ccccc4C3=O)C3=C(CCCC3=O)N2C=C1 4770802 LKEAKTUTPHBRRB-QGZVFWFLSA-N 347.370 2.943 30 40 EFEB C[C@@H](NC(=O)CSc1ncc(C#N)c(N)n1)c1ccccc1Cl 7046954 BQXZWXJFZUUTSN-SECBINFHSA-N 347.831 2.553 30 40 EFEB C[C@@H]1CCc2c(sc(NC(=O)CSc3ncn[nH]3)c2C#N)C1 15923228 PDJOHLRFTROLDZ-MRVPVSSYSA-N 333.442 2.593 30 40 EFEB N#CC1(C(=O)N2CCC(C(=O)O)(c3ccccc3)CC2)CCCC1 97035311 ZEOKEDOWIIPGRK-UHFFFAOYSA-N 326.396 2.715 30 40 EFEB COc1ccc(C)cc1NC(=O)[C@H]1CCCN1c1ccc(C#N)cn1 96410291 BQOZNGSHOOKEOE-MRXNPFEDSA-N 336.395 2.878 30 40 EFEB C=CCO[C@@H]1CC[C@H]2[C@H]1OCCN2C(=O)c1sccc1OCC 96041545 FSLAYSNUTXKXNI-GZBFAFLISA-N 337.441 2.721 30 40 EFEB Cc1ccc(-n2nc(C#N)c(N3CCN(c4ccccc4)CC3)n2)cc1 256046753 HUWPLFNLVHHISG-UHFFFAOYSA-N 344.422 2.774 30 40 EFEB N#CCCN(Cc1cccnc1)C(=O)[C@H]1Cc2cc(Cl)ccc2O1 58403589 VSAHCKXJBSYPRH-QGZVFWFLSA-N 341.798 2.981 30 40 EFEB COC(=O)CCC/C=C1/SC[C@@H](NC(=O)c2ccccc2)/C1=N/O 4645366 CLTIGQMRSNRISD-GNCJIDMYSA-N 348.424 2.589 30 40 EFEB Cc1nc(C)c(F)c(OCC2CCN(c3ccc(C#N)cn3)CC2)n1 1888863860 MXHOMINZEKUMIK-UHFFFAOYSA-N 341.390 2.795 30 40 EFEB CC[C@@H]1c2c(c3ccccc3oc2=O)Oc2nc(C)n(CC#N)c(=O)c21 2585237 FBZUBTZYSGVRDA-LLVKDONJSA-N 349.346 2.829 30 40 EFEB O=C1CSC(=S)N1/N=C\c1ccc(F)c(Br)c1 409344134 FPOGDPMDBWBEQU-PQMHYQBVSA-N 333.207 2.782 30 40 EFEB N#Cc1ccc(/C=C/C(=O)NCc2cccc(N3CCOC3=O)c2)cc1 58201199 HWMQBQGSWXSUPK-CMDGGOBGSA-N 347.374 2.844 30 40 EFEB N#Cc1ccc(S(=O)(=O)N(Cc2cccnc2)C2CC2)cc1Cl 44937260 ZJIADQQQULCUGJ-UHFFFAOYSA-N 347.827 2.960 30 40 EFEB N#CCCn1ncc2c(NCCCn3cnc4ccccc43)ncnc21 65534574 JSXYLJFUYFAFOI-UHFFFAOYSA-N 346.398 2.592 30 40 EFEB C#CCN1CCC(C(=O)N2c3ccccc3N(C)CC[C@@H]2C)CC1 96425354 UBFKFUMITCTDBO-INIZCTEOSA-N 325.456 2.593 30 40 EFEB Cc1ccc(C#N)cc1S(=O)(=O)N(C)c1cccc([N+](=O)[O-])c1 95435902 CPGSRTPSVLGCHK-UHFFFAOYSA-N 331.353 2.600 30 40 EFEB CC(C)CCN/C(=N/Cc1ccccc1)NCc1nnc2n1CCC2 78751970 QCAROSHWUMZWCR-UHFFFAOYSA-N 340.475 2.506 30 40 EFEB CN(C)C(=O)N1CCC(C(=O)Nc2ccc(C#N)c(Cl)c2)CC1 47988363 FRCQJNOYYFNMQI-UHFFFAOYSA-N 334.807 2.544 30 40 EFEB N#Cc1nn(-c2ccccc2[N+](=O)[O-])nc1N1CCc2ccccc2C1 256047800 OUGYJYUCJFPBBU-UHFFFAOYSA-N 346.350 2.610 30 40 EFEB Cc1ccc(CN2C(=O)N[C@]3(CCOc4ccccc43)C2=O)cc1C#N 600508776 FXXLFOURMAATMA-FQEVSTJZSA-N 347.374 2.597 30 40 EFEB Cc1cc(C(=O)N(CCC#N)Cc2ccco2)c2c(C)nn(C)c2n1 58202672 SNACLAZXYYZURG-UHFFFAOYSA-N 337.383 2.734 30 40 EFEB Cc1noc(C)c1C(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2F)C1 68531600 IKQVTDRPGZEPFN-CQSZACIVSA-N 342.374 2.701 30 40 EFEB Cc1nc(CN2CCCN(C(=O)c3sccc3C#N)CC2)cs1 69770493 HIJRZJXCGFHSLI-UHFFFAOYSA-N 346.481 2.733 30 40 EFEB COCCNC(=S)N/N=C/C(Br)=C/c1ccccc1 7040117 QMLLUQAXZOVPBY-VOANPMSRSA-N 342.262 2.519 30 40 EFEB C[C@](C#N)(NC(=O)CN1CCC[C@@H]1CCc1ccccc1)C1CC1 52105956 ZGVSYLWOUBPSAN-UYAOXDASSA-N 325.456 2.892 30 40 EFEB CCOC(=O)Cc1csc(N/C=C(\Cl)C(=O)C(F)(F)F)n1 3184086 GUZUWRYUGLXDIF-DAXSKMNVSA-N 342.726 2.872 30 40 EFEB C#CCn1c(C)cc(C)c(S(=O)(=O)c2ccc(Cl)cc2)c1=O 1397419 IHRXSOZRZWKFPG-UHFFFAOYSA-N 335.812 2.585 30 40 EFEB 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C[C@@H](C1CC1)N(C(=O)Cn1ncnc1-c1cccc(C#N)c1)C1CC1 79013531 CUEPHJLDDPOBKC-ZDUSSCGKSA-N 335.411 2.606 30 40 EFEB N#Cc1ccc(COC(=O)C2CN(Cc3ccc(C#N)cc3)C2)cc1 79439815 RZISGSRQRLYIOO-UHFFFAOYSA-N 331.375 2.605 30 40 EFEB C=CCOC(=O)c1nnc2c(-c3ccccc3)c(COC)nn2c1C 40372726 DNVBXCIJQNQTNT-UHFFFAOYSA-N 338.367 2.589 30 40 EFEB N#CCC(=O)N1CCS/C1=C/c1nc(-c2ccccc2F)no1 225243748 OONRFKMQMBRYGP-NTEUORMPSA-N 330.344 2.663 30 40 EFEB COc1cccc([C@H](C)CC(=O)N2CCN([C@@H](C#N)C(C)C)CC2)c1 84591618 VIFOZBMKKPFRLO-APWZRJJASA-N 343.471 2.881 30 40 EFEB COCc1cc(C)nc(N/N=C\c2cccc([N+](=O)[O-])c2)c1C#N 98087091 WHIPKRITEZAOHJ-NVMNQCDNSA-N 325.328 2.762 30 40 EFEB C=CCN1C(=O)[C@H](C(=O)NC(C)(C)C)[C@@H]2C[C@@]1(C)Oc1ccccc12 12378246 DHNCWQIFLXBPEU-PTSWNOGYSA-N 342.439 2.828 30 40 EFEB COC(=O)c1ccc(-c2ccc(/C=N\NC(N)=S)o2)cc1Cl 16194241 BDAYXIRJFKMXHI-IDUWFGFVSA-N 337.788 2.554 30 40 EFEB CS(=O)(=O)c1ccccc1-n1cc(N[C@H]2CCC[C@H](C#N)C2)cn1 613255724 FQMQEANKHZUSPE-KBPBESRZSA-N 344.440 2.770 30 40 EFEB 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EFEB COc1ccc(/C=N/Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(OC)c1 5320601 MXEHJJBICLREBY-CXUHLZMHSA-N 346.299 2.966 30 40 EFEB COc1ccc([C@H]2C[C@@]3(C)CC(=O)[C@H]2C(C#N)(C#N)C3(C#N)C#N)cc1 100102707 QBQVXYQRBNNTGT-NJAFHUGGSA-N 344.374 2.845 30 40 EFEB C/N=C(\NCc1cc(C(C)C)no1)NC[C@H]1CCCN(C(C)C)C1 80893743 OACFMQYHSHIORP-OAHLLOKOSA-N 335.496 2.583 30 40 EFEB CC(C)[C@](C)(C#N)NC(=O)CN[C@H](c1ccccc1)c1ccccn1 32832939 OZAWKABORSBBDH-UXHICEINSA-N 336.439 2.815 30 40 EFEB C[C@@H](Sc1cc(Cl)ccc1Cl)C(=O)/N=C1/N=C(O)CN1 56214353 HTJMRUDAGCNQKV-ZCFIWIBFSA-N 332.212 2.916 30 40 EFEB C=CCNC(=O)[C@@H](C)OC(=O)c1ccccc1C(=O)c1cccs1 7851568 SXHOXWKTFBMHJS-GFCCVEGCSA-N 343.404 2.827 30 40 EFEB N#Cc1ccc(N2CC[C@H](N3CCO[C@@H](c4ccccc4)C3)C2=O)cc1 25948854 KMSWAXCXJYHTFM-VQTJNVASSA-N 347.418 2.737 30 40 EFEB C=C1[C@H](O)[C@@]23CC[C@@H]1C[C@@H]2[C@@]12C=[N+](CCO)C[C@](C)(CCC1)[C@H]2CC3 102951288 RXGJFLXLQIECAN-UKUMXFBISA-N 344.519 2.996 30 40 EFEB CC(=O)[C@H]1CC(C(=O)Nc2cccc(C#N)c2)=NN1c1ccccc1 58315309 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Cc1cc(C)nc(-n2cc(C(=O)O[C@H]3CCCC[C@@H]3C#N)c(C)n2)n1 96442007 WCZKGLIUTSXLAJ-ZBFHGGJFSA-N 339.399 2.827 30 40 EFEB O=C1Nc2ccc(Br)cc2/C1=N/N=Cc1cccc(O)c1 254589140 DLQMIPLEKFQALI-UHFFFAOYSA-N 344.168 2.930 30 40 EFEB Cc1nsc(NC(=O)N[C@H](C)[C@@H]2C[C@H](C(=O)O)C2(C)C)c1C#N 593960646 BBOPQECTFCKYCC-DVVUODLYSA-N 336.417 2.580 30 40 EFEB S[C@H]1N=C(c2ccccc2)N2[C@H](S)N=C(c3ccccc3)N12 17147726 QABJPBWDVZHRSP-IYBDPMFKSA-N 326.450 2.853 30 40 EFEB CN1CCc2c(C#N)c(N3CCCCC3)nc(N3CCCCC3)c2C1 18106752 TZLXOMVFTVJHJM-UHFFFAOYSA-N 339.487 2.922 30 40 EFEB CSc1nnnn1-c1cccc(NC(=O)c2ccc(C#N)cc2)c1 31915543 PBBMPYHBMSKCBR-UHFFFAOYSA-N 336.380 2.508 30 40 EFEB COc1ccc([C@H]2CCCC[C@@H]2OS(C)(=O)=O)c(OC)c1OC 1592172 MVTSVCQPUDYUPN-YPMHNXCESA-N 344.429 2.715 30 40 EFEB CC(C)c1ccccc1NC(=O)CSc1ncc(C#N)c(N)n1 7045635 CTDTWXAQUSWMLA-UHFFFAOYSA-N 327.413 2.785 30 40 EFEB N#Cc1ccc(CN2CCN(C(=O)c3ccc(F)c(F)c3)CC2)cc1 24574663 FKWVMWBJKDCNKH-UHFFFAOYSA-N 341.361 2.794 30 40 EFEB N#C[C@@]1(NC(=O)COc2cc(Cl)cc(Cl)c2)CCSC1 96430804 LTSOJZDPQTVOOS-ZDUSSCGKSA-N 331.224 2.888 30 40 EFEB C#Cc1cccc(N(Cc2ccccc2)C(=O)[C@@H](C)S(C)(=O)=O)c1 71903586 KGOUIMYTTRYVIL-OAHLLOKOSA-N 341.432 2.634 30 40 EFEB Cc1ccc([C@H]2[C@H](S(=O)(=O)c3ccc(Cl)cc3)[C@@]2(N)C#N)cc1 218481567 FGUZPQFCMDISOL-YESZJQIVSA-N 346.839 2.809 30 40 EFEB CNC(=O)COc1ccc(/C=C/C(=O)c2ccc(C)o2)cc1OC 44026268 ZMRIRTBPSKGVCL-FNORWQNLSA-N 329.352 2.618 30 40 EFEB CCc1nnc([C@@H]2C(=N)S/C(=C\c3ccc(O)cc3O)C2=O)s1 138027422 WIQPEVNRIBLUFU-RBGMWGTCSA-N 347.421 2.930 30 40 EFEB CC(C)(C)n1cc(C#N)cc1NC(=O)NCCc1ccc(O)c(O)c1 75139447 QYZVEMDYCFBTEL-UHFFFAOYSA-N 342.399 2.890 30 40 EFEB Cc1cc([N+](=O)[O-])cnc1N1CCN(Cc2ccccc2)[C@H](C#N)C1 79311320 HOYYDPNUZIWMCN-QGZVFWFLSA-N 337.383 2.513 30 40 EFEB CC1=C/C(=N\S(=O)(=O)c2cccc([N+](=O)[O-])c2)C(C(C)C)=CC1=O 16779918 STAIBNXEIAJNLA-BMRADRMJSA-N 348.380 2.836 30 40 EFEB C=CCN1C(=O)C(O)=C(C(=O)C2CC2)[C@@H]1c1ccc(OC)c(OC)c1 16890219 QLYAFUDSXZFHGC-INIZCTEOSA-N 343.379 2.564 30 40 EFEB CN(C)/C=C(\C(=O)c1ccccc1)c1nnnn1-c1ccc(F)cc1 4369361 HNWPNUPIZBWBHI-FOWTUZBSSA-N 337.358 2.587 30 40 EFEB N#Cc1ccc(N2C[C@@H]3[C@H](CCN3CCOc3ccccc3)C2)nc1 2086884666 GRVQVVGXUIAWOP-IEBWSBKVSA-N 334.423 2.543 30 40 EFEB C[C@@H](N)CN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@@H]1c1ccccc1 20314896 GWZPLKZYTXNBKM-DYVFJYSZSA-N 336.391 2.612 30 40 EFEB C=C(C)CNC(=S)NCc1ccc(CN2C[C@H](C)O[C@H](C)C2)cc1 40087586 IDDLRCBOODUSKL-IYBDPMFKSA-N 347.528 2.836 30 40 EFEB CC(=O)C1=C(O)C(=O)N(Cc2cccnc2)[C@@H]1c1ccc(F)cc1 78125 BRIJSVYAVZOMQN-MRXNPFEDSA-N 326.327 2.705 30 40 EFEB C[C@@H](Nc1ccc2c(c1)OCCO2)C(=O)NC1(C#N)CCCCC1 21818145 ADGDCEVZEFNGRN-CYBMUJFWSA-N 329.400 2.601 30 40 EFEB CCC[C@@H](C)NC(=O)NCCCc1nn2c(C)cc(C)nc2c1C#N 43001528 KXPLXUPGWHHMLC-GFCCVEGCSA-N 342.447 2.638 30 40 EFEB O=C(NCC#Cc1cccc(C(F)(F)F)c1)c1ccc2[nH]nnc2c1 24507041 MTGZUXIDTRVVDC-UHFFFAOYSA-N 344.296 2.758 30 40 EFEB C#CCCN1CCN(C(=O)c2ccc(Oc3cccnc3)cc2)CC1 58291386 ORCYMQGYESQSOL-UHFFFAOYSA-N 335.407 2.655 30 40 EFEB Cc1ccc(N2CCC[C@@H](NCc3cn4ccccc4c3C#N)C2)nn1 69846410 LLUGSBXEADSGSM-QGZVFWFLSA-N 346.438 2.668 30 40 EFEB C#CCN(Cc1ccco1)C(=O)c1ccc2c(O)[nH]c(=S)nc2c1 63812361 UWODOAKMKFMUGN-UHFFFAOYSA-N 339.376 2.867 30 40 EFEB C[C@]12CC(=O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2C(=O)CO 13781916 FUFLCEKSBBHCMO-KJQYFISQSA-N 344.451 2.875 30 40 EFEB endogenous,in-man COc1ccc(OC)c2c1CN(c1ncc(C#N)cc1Cl)C[C@H]2O 71867367 UWYMDMUBCCEQQL-CYBMUJFWSA-N 345.786 2.677 30 40 EFEB N#CCNC(=O)CN1CCC[C@@H]1c1nc(-c2ccc(Cl)cc2)c[nH]1 71912022 VZJMCAGOCSKXII-OAHLLOKOSA-N 343.818 2.507 30 40 EFEB N#CCc1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])c(F)c2)cc1 95448592 ZIBPMIDTGNBEPL-UHFFFAOYSA-N 335.316 2.601 30 40 EFEB Cc1cc(C(=O)C(F)(F)F)c2n1CCN/C2=C\C(=O)C(F)(F)F 226078062 RZYFRTMWWVNLSO-YVMONPNESA-N 340.223 2.617 30 40 EFEB C/N=C(\NCc1nc(C)cs1)NCC1(c2ccc(OC)cc2)CC1 97229913 RHZNSHMXFBKGIP-UHFFFAOYSA-N 344.484 2.857 30 40 EFEB N#Cc1cc(N[C@H]2CCCC[C@@H]2N2CCOCC2)ccc1[N+](=O)[O-] 96503209 UWPAXIVQYQPGCQ-RDJZCZTQSA-N 330.388 2.522 30 40 EFEB C[C@H](CN(C)C(=O)OC(C)(C)C)c1noc(-c2cc(C#N)c[nH]2)n1 96450909 YGQAYYJNHKSOMP-SNVBAGLBSA-N 331.376 2.907 30 40 EFEB C=CCN(C)C(=O)NC[C@H](c1ccccc1Cl)N1CCOCC1 153706470 LVTZKAQMNUHVGL-MRXNPFEDSA-N 337.851 2.541 30 40 EFEB C[C@@H]1CN(CC(=O)Nc2sc3c(c2C#N)CCCCC3)CCO1 29683890 ISBJNEXURVRYBW-GFCCVEGCSA-N 333.457 2.548 30 40 EFEB COc1cc(/C=N/Nc2nc3ccccc3[nH]2)c(O)c([N+](=O)[O-])c1 59720960 SHLAOSSRBNZOSF-LZYBPNLTSA-N 327.300 2.631 30 40 EFEB COCCCn1c(C)c(C)c(C#N)c1NC(=O)CN1CCC[C@H](C)C1 12806983 SDFUNLNRVUVGAR-AWEZNQCLSA-N 346.475 2.684 30 40 EFEB C[C@H](c1ccc(S(C)(=O)=O)cc1)N(C)C(=O)c1cccc(C#N)c1 13015777 QZPFZYURFIHKML-CYBMUJFWSA-N 342.420 2.795 30 40 EFEB COC(=O)c1cnn2c1NC1=C(C(=O)CCC1)[C@H]2c1ccc(F)cc1 49546831 FCKFHBDKAAFSDG-MRXNPFEDSA-N 341.342 2.831 30 40 EFEB Cc1nc(C2(NC(=O)COc3ccccc3C#N)CCCCC2)no1 39549533 VFESKICJJQTXMM-UHFFFAOYSA-N 340.383 2.604 30 40 EFEB C[C@@H](C(=O)Nc1ccc(OCC#N)cc1)n1c(=O)oc2ccccc21 14490954 CHLYBPFNSOSIKR-LBPRGKRZSA-N 337.335 2.697 30 40 EFEB COc1ccc(CN(C2CC2)S(=O)(=O)c2cccc(C#N)c2)cc1 8058172 VNUHNJFNNPZAPA-UHFFFAOYSA-N 342.420 2.920 30 40 EFEB CCOc1ccc(/C=N/N2C(=O)[C@@H]3[C@H](C2=O)[C@H]2C=C[C@H]3C23CC3)cc1 408727353 FBPFVSZLGFSKET-ATZSHDDCSA-N 336.391 2.616 30 40 EFEB CCOC(=O)c1cc(C#N)c(=S)n2c1NCN(C1CCCC1)C2 9419677 WLOXNRJFICWNNF-UHFFFAOYSA-N 332.429 2.851 30 40 EFEB C[C@@H](NC(=O)C(C)(C)C#N)c1ccc(CNC(=O)C(C)(C)C#N)cc1 97107835 HPPUKTYMKRYNEX-CYBMUJFWSA-N 340.427 2.580 30 40 EFEB C=C(C)COc1cccc(NCc2cnc(N3CCOCC3)nc2)c1 95971943 MSFFYNLIZUMPHC-UHFFFAOYSA-N 340.427 2.880 30 40 EFEB COC(=O)[C@H](NC(=O)OC(C)(C)C)[C@@H](C)B1OC(C)(C)C(C)(C)O1 1535645016 OZUZKIPTIWOLBK-GHMZBOCLSA-N 343.229 2.535 30 40 EFEB COc1ccc(OC)c2c1CN(c1cccc(F)c1C#N)C[C@@H]2O 32808466 GCQOZRAHFBIPRM-HNNXBMFYSA-N 328.343 2.768 30 40 EFEB C=CCn1nc(-c2ccc(OCC)cc2)cc(C(=O)OCC)c1=O 225964713 VGTFUROMOFIEKT-UHFFFAOYSA-N 328.368 2.672 30 40 EFEB N#Cc1ccc(NC(=O)CSc2cc(N3CCCC3)ncn2)cc1 49006677 PQEAMTNECONXRK-UHFFFAOYSA-N 339.424 2.679 30 40 EFEB N#CCCCS(=O)(=O)N1CCc2cc(Cl)cc(Cl)c2C1 84021477 MBSPNBNPYWGQKF-UHFFFAOYSA-N 333.240 2.985 30 40 EFEB Cc1nn(C(F)F)c(C)c1CC(=O)Nc1ccc(C#N)c(C#N)c1 96418398 ZPISUULGGNVQHN-UHFFFAOYSA-N 329.310 2.820 30 40 EFEB C#CCCCC(=O)Nc1n[nH]c(C)c1-c1ccc2c(c1)OCCO2 585079432 CGXMTGLYILGGQA-UHFFFAOYSA-N 325.368 2.898 30 40 EFEB CN(C)c1ccc([C@H]2CCCN2Cc2cc(F)ccc2C#N)nn1 591625159 ZCVSBQCSPNEAKO-QGZVFWFLSA-N 325.391 2.890 30 40 EFEB C[C@@]1(CO)CN(c2cc(C(F)(F)F)c(F)cc2C#N)C[C@]1(C)CO 1548519684 UQUPPMJAEFWTBY-GASCZTMLSA-N 346.324 2.533 30 40 EFEB CC1(C)OB(c2ccc3c(c2)CN(C2CCCC2)C3=O)OC1(C)C 1083805712 SQWSBXIEANPGMP-UHFFFAOYSA-N 327.233 2.884 30 40 EFEB Cn1nnnc1/N=C(\O)c1cccc2c(Br)cccc12 514907 VZSQKMPWZXTLFW-UHFFFAOYSA-N 332.161 2.762 30 40 EFEB C[C@]1(C#N)CCCN(C(=O)N[C@@H](C[C@@H]2CCCO2)C(F)(F)F)C1 594174051 JNHGOXAWEUPRPL-SGMGOOAPSA-N 333.354 2.822 30 40 EFEB OCc1nc2ccccc2n1/N=C/c1cc(Br)ccc1O 274873 HZMADSCMJFKQED-CAOOACKPSA-N 346.184 2.879 30 40 EFEB CN(c1cccc(C#N)c1)S(=O)(=O)c1ccccc1OC(F)F 60353897 ITMSBJXYJNEUGL-UHFFFAOYSA-N 338.335 2.985 30 40 EFEB C=CCN1C(=O)N[C@H](c2cccc(F)c2)C(C(=O)OCCOC)=C1C 7550990 ZOUAERSDERITRM-MRXNPFEDSA-N 348.374 2.542 30 40 EFEB C#CCN(Cc1nnnn1-c1ccccc1)[C@@H]1CCc2ccccc21 47405936 JCOFVXCZMNDUMK-LJQANCHMSA-N 329.407 2.785 30 40 EFEB Cc1ccc(C(=O)OCC(=O)N(CCC#N)c2ccccc2)cc1O 26021357 WVVFDCZVIGJOKO-UHFFFAOYSA-N 338.363 2.804 30 40 EFEB COc1ccc(-c2nc(CC(=O)N(C)CCC#N)cs2)cc1OC 57814188 IBCGJMYRISLNHA-UHFFFAOYSA-N 345.424 2.742 30 40 EFEB N#Cc1cccc(CNCc2cccc(NC(=O)[C@@H]3CCCO3)c2)c1 58030871 NYFIAGOULHIDFJ-IBGZPJMESA-N 335.407 2.966 30 40 EFEB CC(C)(C)[C@@H](NCCC(=O)N(CC#N)CC#N)c1ccc(F)cc1 58330393 KVZKHXJFZRYEEC-KRWDZBQOSA-N 330.407 2.768 30 40 EFEB C=CCOC(=O)COc1cc(O)c2c(=O)c3ccccc3oc2c1 6904958 ZQRQZWIFAGTNPC-UHFFFAOYSA-N 326.304 2.760 30 40 EFEB biogenic N#CCCN(C(=O)COC(=O)Cc1cccs1)c1ccc(F)cc1 15275812 IJJRICLNTXGXMC-UHFFFAOYSA-N 346.383 2.920 30 40 EFEB C#CCCOc1ccc([C@H]2NC(=N)Nc3nc4ccccc4n32)cc1 67963353 ANQHOKNWESPWAB-KRWDZBQOSA-N 331.379 2.935 30 40 EFEB CCN1CCCN(C(=O)Nc2ccc(OC(C)C)c(C#N)c2)CC1 91181484 ZANXCHIMSNNHDA-UHFFFAOYSA-N 330.432 2.905 30 40 EFEB CC(C)c1n[nH]c([C@H]2CN(Cc3ccc(F)cc3C#N)CCO2)n1 78892980 QDRKMYQZUSCCMK-OAHLLOKOSA-N 329.379 2.512 30 40 EFEB CCCc1nn2c(N)c(C#N)cnc2c1-c1ccc(OC)c(OC)c1 20636032 OCCJJGJODKGVCQ-UHFFFAOYSA-N 337.383 2.820 30 40 EFEB C=CCNC(=S)Nc1nc(Cl)cc(N2CCC[C@@H](C)C2)n1 225926361 JHYFDDDVSGPCQZ-SNVBAGLBSA-N 325.869 2.839 30 40 EFEB N#Cc1ccc([C@H]2C[C@H](c3ccccc3)Oc3[nH]c(=O)[nH]c(=O)c32)cc1 226761731 FFWHJLWGDLPXOS-HZPDHXFCSA-N 345.358 2.591 30 40 EFEB N#CCC(=O)N1CCC(COc2ccc(C(F)(F)F)cn2)CC1 1615586497 NUVOHHGXVAOFIF-UHFFFAOYSA-N 327.306 2.631 30 40 EFEB CCNC(=O)c1cn(CCC#N)nc1-c1cccc(Br)c1 58433899 TWAYHQJXLPYRJH-UHFFFAOYSA-N 347.216 2.976 30 40 EFEB Cc1ccc(/C(=N\c2ccccc2)NC(S)=[N+]2CCOCC2)cc1 19911412 NIPCRIHJSCQSGP-UHFFFAOYSA-O 340.472 2.991 30 40 EFEB C[C@@H](CC#N)N(C)S(=O)(=O)c1cccnc1Oc1ccc(F)cc1 585142124 PJACVTLSXLSPLJ-LBPRGKRZSA-N 349.387 2.936 30 40 EFEB CN1C(=O)/C(=N\Nc2ncnc3sc4c(c23)CCC4)c2ccccc21 7157161 OQLFGSAEUHHTTB-QNGOZBTKSA-N 349.419 2.973 30 40 EFEB CCN1CCN(c2oc(COc3ccc(Cl)cc3)nc2C#N)CC1 108380 CAJWBBWNGAOZPI-UHFFFAOYSA-N 346.818 2.921 30 40 EFEB CC1(C)CC(=O)C=C(NC[C@@H](c2cccs2)N2CCOCC2)C1 101804998 ZGPPGYVUBRLEIQ-INIZCTEOSA-N 334.485 2.984 30 40 EFEB CC(C)NC(=O)[C@H](C#N)C(=O)[C@H]1C[C@@H]1c1ccc(Br)cc1 101904195 DWQGQZCNDFLGAB-HZSPNIEDSA-N 349.228 2.786 30 40 EFEB COc1ccc(/C=N/NC(=S)Nc2ccccc2[N+](=O)[O-])cc1O 8688004 BTFZMLMPBYKRGU-CXUHLZMHSA-N 346.368 2.630 30 40 EFEB COc1cccc([C@H](O)C(=O)N[C@H](C#N)c2ccccc2Cl)c1 95450409 KKUFUJIUTJSBJW-CVEARBPZSA-N 330.771 2.763 30 40 EFEB C=CCCS(=O)(=O)N1CCC([C@H](O)c2ccc(Cl)cc2)CC1 95433054 ANYGPBCRGQCSTR-MRXNPFEDSA-N 343.876 2.991 30 40 EFEB CCN(c1ccc(CC#N)cc1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 225029920 CEQQOZKQMPCIMT-UHFFFAOYSA-N 345.380 2.876 30 40 EFEB C#CCCCCNC(=O)Nc1ccc(Cl)c(S(C)(=O)=O)c1 195577811 OMVMKUDBWGDZDP-UHFFFAOYSA-N 328.821 2.669 30 40 EFEB COc1cc(Br)ccc1CCC/N=C(/N)N(C)C1CC1 252485349 GRVQPGHQFLFFJJ-UHFFFAOYSA-N 340.265 2.799 30 40 EFEB O=[N+]([O-])/C(CN1CCCCC1)=N\Nc1ccc(Br)cc1 19201881 MAWLDLOXCJBFDW-SSZFMOIBSA-N 341.209 2.937 30 40 EFEB C=CCN1C(=O)CCC12CCC(NC(=O)c1csc(C)n1)CC2 2055819353 JJASHAVGVQVHDG-UHFFFAOYSA-N 333.457 2.671 30 40 EFEB CCN(CC(=O)NCc1ccc(F)cc1)Cc1ccccc1C#N 16372169 YZGOASPVOXVFAM-UHFFFAOYSA-N 325.387 2.836 30 40 EFEB C[C@@H](Sc1nnnn1C1CCCC1)C(=O)NC1(C#N)CCCCC1 16372031 USASNQSKSBPADK-GFCCVEGCSA-N 348.476 2.611 30 40 EFEB N#C[C@H]1C(=O)N=C2NN(c3ccccc3)C(O)=C2[C@@H]1c1ccccc1 4992866 HZHYORWHHAIAJB-HUUCEWRRSA-N 330.347 2.643 30 40 EFEB Nc1nc(N)c2c(n1)NC1=C(C(=O)CCC1)[C@@H]2c1ccc(Cl)cc1 10339099 LQZDTXAEZFXSJP-LBPRGKRZSA-N 341.802 2.859 30 40 EFEB C[C@H](NC(=O)N1CCN(c2cc(C#N)ccn2)CC1)c1cccs1 26243012 CQGAKWCJZYGWPH-ZDUSSCGKSA-N 341.440 2.608 30 40 EFEB CCCCCNC(=O)[C@H](C#N)C(=O)[C@H]1C[C@]12CCOc1ccccc12 108090876 VXWPQJWBQIVFCZ-KKVAFCGZSA-N 340.423 2.742 30 40 EFEB CS(=O)(=O)c1cc(C(=O)OCc2cccc(C#N)c2)ccc1Cl 10241226 CEAWFRKGUNNUIW-UHFFFAOYSA-N 349.795 2.972 30 40 EFEB O=c1c(/C=N/Nc2ccc([N+](=O)[O-])cc2)c(Cl)nc2ccccn12 5445420 WQUBPDARSDNGFS-RQZCQDPDSA-N 343.730 2.702 30 40 EFEB Cc1ccc(/C=N/n2c(S)nnc2-c2n[nH]c3c2CCC3)s1 5626024 SDDDYVCZSFERLY-VIZOYTHASA-N 330.442 2.698 30 40 EFEB Cc1ccc(C(=O)NCC(=O)OCc2cn3ccccc3c2C#N)cc1 14897411 CUYQQZKDRFWIRI-UHFFFAOYSA-N 347.374 2.593 30 40 EFEB N#Cc1cccc(Cn2ncn3nc(-c4ccc(F)cc4)cc3c2=O)c1 67260010 JUJOURBTFSOMKV-UHFFFAOYSA-N 345.337 2.617 30 40 EFEB CC(C)Cn1cnc(S(=O)(=O)/N=C(\O)c2ccccc2Cl)c1 96008074 LEGFXTAQVXDOKJ-UHFFFAOYSA-N 341.820 2.886 30 40 EFEB N#CCn1cc(C(=O)N2CCC[C@H](n3ccnc3)C2)c2ccccc21 72254966 WILVAIKWJNMNNH-HNNXBMFYSA-N 333.395 2.839 30 40 EFEB C#Cc1cccc(N(Cc2ccccc2)C(=O)[C@H](C)S(C)(=O)=O)c1 71903585 KGOUIMYTTRYVIL-HNNXBMFYSA-N 341.432 2.634 30 40 EFEB N#Cc1ccc(CN2CCS(=O)(=O)C[C@@H]2c2ccccc2)c(F)c1 71911999 YNUNJVLFBXKDMB-GOSISDBHSA-N 344.411 2.669 30 40 EFEB N#Cc1ccc(OCCNC(=O)N2CCCC[C@@H]2c2ncc[nH]2)cc1 84384016 JYQOWHANJSWTSM-MRXNPFEDSA-N 339.399 2.597 30 40 EFEB OCCn1cc(-c2ccc3c(c2)CC/C3=N/O)c(-c2ccncc2)n1 34640412 DEZZLWQELQORIU-PYCFMQQDSA-N 334.379 2.729 30 40 EFEB N#C[C@]1(N)[C@H](c2ccccc2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 218055872 NLTUKCSWQLISEX-PMPSAXMXSA-N 332.812 2.501 30 40 EFEB N#Cc1ccc(CN2CCN(c3ccc(Br)cn3)CC2)o1 96489701 LOYJELJHJNMMFG-UHFFFAOYSA-N 347.216 2.631 30 40 EFEB N#Cc1ccnc(S[C@H]2CCN(c3sccc3C#N)C2=O)c1 96459442 SWGAFHWSSZLBIG-LBPRGKRZSA-N 326.406 2.784 30 40 EFEB CCOC(=O)NCc1ccc(S(=O)(=O)/N=C(\O)[C@@H](C)CC)cc1 48492840 MXSFKFYHSVLEOA-NSHDSACASA-N 342.417 2.624 30 40 EFEB Cc1nc(-c2nc(C(=O)NCCC[S+](C)C)cs2)cs1 5519187 BTJBOLSVLROWEF-UHFFFAOYSA-O 328.508 2.573 30 40 EFEB CCCc1nc(NCCN2CCOCC2)c(C#N)c2c1CCCC2 20573438 LBROKQGJGYXDIF-UHFFFAOYSA-N 328.460 2.529 30 40 EFEB CCC(=O)N1CCN(c2cccc3s/c(=N\N=C(C)C)[nH]c23)CC1 57327967 CTOYAOHPZDSIRK-UHFFFAOYSA-N 345.472 2.585 30 40 EFEB Cc1cc(Cl)ccc1OCC(=O)ON1C(=O)c2ccccc2C1=O 104832188 NWVHIFRBLDKCPY-UHFFFAOYSA-N 345.738 2.782 30 40 EFEB COc1ccccc1[C@@H](C#N)NC(=O)c1cccc(OC)c1OC 78727172 KYORKPZTFAXDDD-CQSZACIVSA-N 326.352 2.707 30 40 EFEB C#CCNC(=O)N[C@@H](C)c1ccc(OCc2ccncc2)c(OC)c1 56412813 CCYJWVIFIWRREV-AWEZNQCLSA-N 339.395 2.663 30 40 EFEB CCOc1ccc(S(=O)(=O)/N=C(\O)[C@H](CC)OC)cc1OCC 62674420 BXYMGURRPBQQDK-LBPRGKRZSA-N 345.417 2.554 30 40 EFEB C[C@H](Oc1ccc(C#N)cc1)C(=O)N(C)Cc1ccc2c(c1)OCO2 18155912 MHBVCNCLUUOOOO-ZDUSSCGKSA-N 338.363 2.713 30 40 EFEB Oc1ccc(/C=N/Nc2nc(SCc3ccncc3)n[nH]2)cc1 8418576 YIGQHLYZJCGMMZ-RQZCQDPDSA-N 326.385 2.644 30 40 EFEB Cc1nc(C)n(C[C@H]2CCCN(CCOc3cccc(C#N)c3)C2)n1 69952130 CQMIBFXPMFTONO-SFHVURJKSA-N 339.443 2.558 30 40 EFEB CC(C)(C)OC(=O)NCCC(=O)N[C@H](C#N)c1cccc(Cl)c1 69970039 KHIPDNMEOPDFQS-CYBMUJFWSA-N 337.807 2.936 30 40 EFEB C#CCOc1ccc(F)cc1NC(=O)NC[C@H](O)c1cccs1 97010140 JDUWEFKELXSEFV-ZDUSSCGKSA-N 334.372 2.754 30 40 EFEB N#Cc1ccc(C(=O)N(Cc2ccccc2)C[C@@H](O)c2ccco2)nc1 84368587 HFKBEIRKQJZFSY-GOSISDBHSA-N 347.374 2.922 30 40 EFEB COc1cc([N+](=O)[O-])cc(/C=N/c2cc([N+](=O)[O-])cc(C)c2O)c1O 95482078 TUEUGTLHKWYJFS-FRKPEAEDSA-N 347.283 2.982 30 40 EFEB CC(=O)[C@H]1C[C@H](O)[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@]12C 118928413 BXGCPPYCSCLHER-KYDMIEGSSA-N 346.467 2.665 30 40 EFEB C=CCNC(=O)c1ccc(CN2CCN(Cc3ccccc3)CC2)cc1 20241781 AKAYDONMDREGFS-UHFFFAOYSA-N 349.478 2.920 30 40 EFEB C/C(=N\NS(=O)(=O)c1ccccc1)c1ccc(C)c([N+](=O)[O-])c1 20929361 TXHJWBZGJJMDKS-FOWTUZBSSA-N 333.369 2.606 30 40 EFEB COC(=O)c1cc(NCC(=O)Nc2ccc(C#N)cc2)c(F)cc1F 32788516 UZKSKFXMBWCFJA-UHFFFAOYSA-N 345.305 2.674 30 40 EFEB O=S(=O)(C[C@@H]1CCCCO1)/N=C(\O)c1sccc1C1CC1 96404495 OITWSBREZGYCOU-NSHDSACASA-N 329.443 2.829 30 40 EFEB N#Cc1cccc(C(=O)N2CCOC[C@@H]2CC(=O)c2ccccc2)c1 96466914 PZHHVAWWZXZWNA-SFHVURJKSA-N 334.375 2.672 30 40 EFEB COc1ccc(NC(=O)N2CCc3c(sc(N)c3C#N)C2)cc1 583650539 FYNZXNYNHWTREX-UHFFFAOYSA-N 328.397 2.801 30 40 EFEB C[C@@H](Sc1ncccc1Br)C(=O)N(C)CCC#N 96411985 SILLSNDORUVAGX-SECBINFHSA-N 328.235 2.697 30 40 EFEB CN(C)c1ccc([C@@H]2CCCN2CCOc2ccccc2C#N)nn1 591626054 IHSNRGZDNXDHEZ-KRWDZBQOSA-N 337.427 2.630 30 40 EFEB C=CC[C@H](CC)NC(=O)Nc1cccc(N2CCN(C(C)=O)CC2)c1 281885712 GQCXDQUEGVMSMA-INIZCTEOSA-N 344.459 2.831 30 40 EFEB N#CCc1ccc(OCc2cc(=O)n3cc(Cl)ccc3n2)cc1 69179700 OYGQKYYVGUYQTE-UHFFFAOYSA-N 325.755 2.993 30 40 EFEB C/C(=N\OCC(=O)N(CCC#N)CCC#N)c1cc2ccccc2o1 6312683 MYYGVSBTCYRSAY-KGENOOAVSA-N 338.367 2.829 30 40 EFEB CCCC#C[C@](O)(C(=O)O[C@@H]1CN2CCC1CC2)C1CCCCC1 1640765 CZSCWCOOWBSDAG-UYAOXDASSA-N 333.472 2.739 30 40 EFEB CCOC(=O)N1CCC2(CC1)[C@H](C(=O)c1ccccc1)C2(C#N)C#N 4454734 LGABVIADDAAGKG-INIZCTEOSA-N 337.379 2.771 30 40 EFEB COc1ccccc1NC(=O)CO/N=C/c1ccc(NC(C)=O)cc1 2633641 NGRLJMVQJCISAY-YBFXNURJSA-N 341.367 2.643 30 40 EFEB N#CC1CCN(S(=O)(=O)c2ccc(F)c(C(F)(F)F)c2)CC1 57930276 HZNKESAVSAYEQA-UHFFFAOYSA-N 336.310 2.769 30 40 EFEB C=CCCC(=O)N1CCC[C@]2(CC1)CCN(Cc1ccncc1)C2=O 108533583 QYSXFMOVHZMFQJ-FQEVSTJZSA-N 341.455 2.779 30 40 EFEB COc1ccc(NC(=O)c2sc3nc(N)c(C#N)cc3c2N)cc1 20026722 HYCNBTAHWWGOGU-UHFFFAOYSA-N 339.380 2.593 30 40 EFEB COC(=O)c1ccccc1O[C@H](C)C(=O)NC1(C#N)CCCCC1 58014484 VANKQGPLTUKLNI-CYBMUJFWSA-N 330.384 2.583 30 40 EFEB N#Cc1ccc(NC(=O)COC(=O)COc2ccc(Cl)cc2)cc1 3369983 VSSBXMVNIFNOOL-UHFFFAOYSA-N 344.754 2.772 30 40 EFEB CS(=O)(=O)/N=C(\O)c1csc(COc2ccc(Cl)cc2)n1 48480718 JLLKWXVGGOYHEM-UHFFFAOYSA-N 346.817 2.640 30 40 EFEB COc1cc(/C=C2/S/C(=N/c3ccc(O)cc3)NC2=O)ccc1O 18084887 VRONASVIJLMDQP-OQLLNIDSSA-N 342.376 2.998 30 40 EFEB CS(=O)(=O)Nc1ccc(C(=O)/C=C/c2ccc3c(c2)CCO3)cc1 65576246 VGEOHTDGUCBKHB-KRXBUXKQSA-N 343.404 2.889 30 40 EFEB COc1cc(OC)cc(C2=N/C(=C\c3cccc(C#N)c3)C(=O)O2)c1 14176593 ZQQBDULHVRRGOW-IDUWFGFVSA-N 334.331 2.920 30 40 EFEB COCCn1c(S[C@H](C)C#N)nc2sc3c(c2c1=O)CCC3 5430086 QVTZPFZLPJEBLO-SECBINFHSA-N 335.454 2.597 30 40 EFEB C=CCN1C(=O)/C(=C/c2ccc(O[C@H](C)CC)cc2)C(=O)NC1=S 4723746 OQLCHCPPZIFEMB-PKVLTRFUSA-N 344.436 2.677 30 40 EFEB N#CC1(NC(=O)/C=C/c2cc(Br)cs2)CCOCC1 80315941 DYBLTSFEPYVEJM-OWOJBTEDSA-N 341.230 2.713 30 40 EFEB N#Cc1ccccc1CSCCNC(=O)c1ccc2c(c1)OCO2 7649008 BWHVHNDKUSPGJY-UHFFFAOYSA-N 340.404 2.950 30 40 EFEB CCCCOc1ccc(/C=N/N=C2\NC(=O)[C@@H](C)S2)cc1OC 9087265 RAQHEEUSFAUARK-JDAJCMJVSA-N 335.429 2.816 30 40 EFEB CC(C)(C)OC(=O)NCCNc1nc(C(F)(F)F)ccc1C#N 96406517 VHALOMCENCKUTR-UHFFFAOYSA-N 330.310 2.909 30 40 EFEB C#CCOc1ccc(N(C)S(=O)(=O)c2cn([C@H](C)CC)cn2)cc1 95414624 VUNPGBKLZGATLW-CQSZACIVSA-N 347.440 2.691 30 40 EFEB CCC[C@@H](C)C1(CC)C(=O)NC(=Nc2ccc(OC)cc2)NC1=O 4955400 DMEMNPJCDVLYPA-GFCCVEGCSA-N 331.416 2.761 30 40 EFEB biogenic Cc1ccc(S(=O)(=O)OCCCNC(=O)OC(C)(C)C)cc1 39400005 KLKKIENVIGQBAG-UHFFFAOYSA-N 329.418 2.615 30 40 EFEB C=CCn1c(NCc2ccccc2Cl)nc2c(C)nn(C)c2c1=O 32652670 BXYPESKXUJVZRR-UHFFFAOYSA-N 343.818 2.890 30 40 EFEB C=CCOC[C@]12CCCO[C@@H]1CCN(C(=O)COc1ccccc1)C2 96039683 LQZIJVWBJUMOEU-UYAOXDASSA-N 345.439 2.666 30 40 EFEB CC(C)(C)n1cc(C#N)cc1NC(=O)N[C@H](CO)Cc1ccccc1 69420875 HSEOOUVACAGYPJ-INIZCTEOSA-N 340.427 2.840 30 40 EFEB CCc1ccc(S(=O)(=O)/N=C2/S[C@H](CC)C(=O)N2CC)cc1 4538087 OLNCYIONCJUWAT-UWZWCOGJSA-N 340.470 2.668 30 40 EFEB O=C1CS/C(=N/N=C/c2ccccc2O)N1c1ccc(O)cc1 1242714 VDLYMJCEPGWUAZ-APBNWAIRSA-N 327.365 2.568 30 40 EFEB Cc1nc(C2=C(N)N([C@H](C)CCc3ccco3)CC2=O)sc1C 13693046 LGNQDKBIWGCSQU-SNVBAGLBSA-N 331.441 2.886 30 40 EFEB CCOC(=O)C1=C(C)Nc2sc(C#N)c(N)c2[C@H]1c1cccnc1 496234 TYRCWUDKVWDPKG-ZDUSSCGKSA-N 340.408 2.991 30 40 EFEB Cn1c(N/N=C/C2=Cc3ccccc3OC2)nc2ccccc2c1=O 54292756 ZFMQYIOEKKGYPD-RGVLZGJSSA-N 332.363 2.807 30 40 EFEB N#Cc1ccc(CN2CCN(C(=O)c3cc(F)cc(F)c3)CC2)cc1 23436836 JCCNLIKUVZBQJJ-UHFFFAOYSA-N 341.361 2.794 30 40 EFEB N#Cc1ccc(OCC(=O)NCc2cccc(NC(=O)C3CC3)c2)cc1 10765289 QCOGOIUNASKMTB-UHFFFAOYSA-N 349.390 2.602 30 40 EFEB Cc1c(/C(O)=N/S(=O)(=O)Cc2ccccc2)cccc1[N+](=O)[O-] 48594959 GBRXIZFKPDNMIH-UHFFFAOYSA-N 334.353 2.738 30 40 EFEB N#Cc1ccc(NC(=O)[C@H]2CSCN2C(=O)c2ccsc2)cc1 65503250 VPQVXDMXOYPGAW-CQSZACIVSA-N 343.433 2.774 30 40 EFEB N#C[C@@H](c1ccccc1)N1CCN(C(=O)c2cc(F)cc(F)c2)CC1 14161405 RWWWGNXQGONVSY-SFHVURJKSA-N 341.361 2.987 30 40 EFEB C=CC(=O)OC[C@H](O)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)F 95681948 MMZXPRQMECEMRJ-RXMQYKEDSA-N 348.161 2.935 30 40 EFEB C=CCn1c(=S)sc2c(=O)n(CC[C@H]3CCCC3=O)cnc21 75093482 RBBHKHXVZLRNPS-SNVBAGLBSA-N 335.454 2.934 30 40 EFEB CCCc1nnc(SCC(=O)Nc2ccc(C#N)cc2)n1CC 20033991 QUXXCGZROTWNEO-UHFFFAOYSA-N 329.429 2.853 30 40 EFEB C#CCOc1ccc(CCNC(=O)c2cc(F)ccc2[N+](=O)[O-])cc1 69533959 HDGMFZUZWNGEQM-UHFFFAOYSA-N 342.326 2.718 30 40 EFEB C=CC[C@H](C)NC(=O)Nc1ccc(CN=[S@@](C)(=O)N(C)C)cc1 1616039143 WOZUKDSVXWTPJM-ZAMGYDSWSA-N 338.477 2.847 30 40 EFEB COc1ccc(S(=O)(=O)/N=C2\C=C(C(C)C)C(=O)C=C2C)cc1 5194804 IAYJVONGLWSBGI-FBMGVBCBSA-N 333.409 2.936 30 40 EFEB C/C(=N\C[C@@H](C)N)c1c(O)c2ccccc2n(-c2ccccc2)c1=O 4261431 DFAFWTOHFOKUJH-JPHFOSBYSA-N 335.407 2.853 30 40 EFEB COc1cc(OC)c(OC)cc1CNC(=O)c1ccc(C#N)cc1 7985625 SMCHNYWIKNUWKD-UHFFFAOYSA-N 326.352 2.514 30 40 EFEB NC(=S)N/N=C/c1ccc(OC(=O)c2cccc(Cl)c2)cc1 59399044 BEEKGKQPNXFOSN-GIJQJNRQSA-N 333.800 2.726 30 40 EFEB COCCCN/C(=N/[C@H](C)c1cccs1)NC[C@H]1CCCO1 75583301 YEQCYIFEBBUQKB-ZIAGYGMSSA-N 325.478 2.560 30 40 EFEB C=CCN(CCc1ccccc1)C(=O)[C@@H](C)Sc1nncn1C 58304869 HJQVPRDUUASORN-CQSZACIVSA-N 330.457 2.553 30 40 EFEB COc1ccc(S(=O)(=O)N(C)Cc2ccc(C#N)cc2F)cc1 10852944 JYMPZTBCWCZKCI-UHFFFAOYSA-N 334.372 2.527 30 40 EFEB N#Cc1ccc(CN2CCN(C(=O)c3ccc(F)cc3F)CC2)cc1 14092933 YKFMBGHCLZYTMQ-UHFFFAOYSA-N 341.361 2.794 30 40 EFEB CCN(CC(=O)NCc1ccc(F)cc1)Cc1cccc(C#N)c1 16372249 AMNVJBHPPFFXOL-UHFFFAOYSA-N 325.387 2.836 30 40 EFEB COc1ccc(OC)c([C@H](C)NS(=O)(=O)c2ccc(C#N)cc2)c1 8059126 SWEFYABUHBSECV-LBPRGKRZSA-N 346.408 2.615 30 40 EFEB C=CCn1nnnc1SCC(=O)Nc1cccc2ccccc12 8020470 WVLJWFKDVXJHCK-UHFFFAOYSA-N 325.397 2.743 30 40 EFEB COc1ccc(/C=N/Nc2ccccc2)cc1CN1CCOCC1 19809646 ZGGCWRKMBOUTEJ-XSFVSMFZSA-N 325.412 2.973 30 40 EFEB C#CCN1CCC(C(=O)N[C@@H](C)[C@@H](OC)c2ccc(Cl)cc2)CC1 96412153 JLCMBJMJYDSKTE-KBXCAEBGSA-N 348.874 2.877 30 40 EFEB C#CCN1CCC(C(=O)N2CCSC[C@@H]2c2ccc(C)cc2)CC1 96407399 URSXLSMLXNNVNL-LJQANCHMSA-N 342.508 2.957 30 40 EFEB C/N=C(/NCC1(C)COC1)N[C@H](C)c1ccc(OCC(C)C)cc1 97021965 GURTWPHBMRCTFC-OAHLLOKOSA-N 333.476 2.984 30 40 EFEB N#Cc1cc(N2CCN(C3CCOCC3)CC2)ccc1C(F)(F)F 97145004 SKFXJQFWJSKOKL-UHFFFAOYSA-N 339.361 2.878 30 40 EFEB Cc1ccc(S(=O)(=O)Nc2nc(C)c(SCC#N)s2)o1 95459492 BLZKWMRGMJQDRR-UHFFFAOYSA-N 329.428 2.769 30 40 EFEB C[C@H](CC#N)Sc1ccccc1NC(=O)CN1CCC(CO)CC1 95953652 DCIUFNBDPQVSDA-CQSZACIVSA-N 347.484 2.724 30 40 EFEB N#Cc1cc([N+](=O)[O-])ccc1NC1CCN(C2CCOCC2)CC1 585092744 LYPQOTAXSIUCPP-UHFFFAOYSA-N 330.388 2.522 30 40 EFEB C=CCN(C1CC1)S(=O)(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)no1 585115707 PPPAENLZMWPAFJ-UHFFFAOYSA-N 349.368 2.589 30 40 EFEB N#Cc1cncc(N2CCN(Cc3ccccc3)[C@@H]3CCCC[C@@H]32)n1 585140146 ITSNNMOJPMHPCI-MOPGFXCFSA-N 333.439 2.982 30 40 EFEB Cn1cc(C#N)cc1C(=O)Nc1ccc([N+](=O)[O-])c(Br)c1 95991461 OERUDSYCZJIDOL-UHFFFAOYSA-N 349.144 2.820 30 40 EFEB CCc1noc([C@@H](C)N2CCN(c3cccc(F)c3C#N)CC2)n1 40520415 NCGAHSHYHJFKMT-GFCCVEGCSA-N 329.379 2.526 30 40 EFEB COc1ccccc1OCCCN1C(=O)/C(=N/O)c2cc(C)ccc21 46085208 LNCYRANSEKZVOI-CZIZESTLSA-N 340.379 2.998 30 40 EFEB CC(=O)N1CCc2cc(C(=O)[C@H](C#N)c3nc4ccccc4[nH]3)ccc21 41495498 IFJRMENDIURBGJ-HNNXBMFYSA-N 344.374 2.962 30 40 EFEB Cc1ocnc1C(=O)[C@H](C#N)C(=O)Nc1ccccc1Br 105759579 JFDMDNIXLPUYKQ-VIFPVBQESA-N 348.156 2.707 30 40 EFEB C#C[C@]1(O)CC[C@H]2[C@@H]3C[C@@H]4O[C@@]45C[C@H](O)CC[C@]5(C)[C@H]3CC[C@@]21C 118918741 ODMURDDTNPVMMD-AFOFVPTQSA-N 330.468 2.886 30 40 EFEB C=C(Br)CNC(=O)Cc1cc(Cl)c2c(c1)OCCO2 49297346 PXXMEJXTEBYVAE-UHFFFAOYSA-N 346.608 2.679 30 40 EFEB COc1ccc([C@@H]2C3=C(CCCC3=O)Nc3[nH]nc(O)c32)cc1OC 18195517 KRUTVRXPKDNSDW-CQSZACIVSA-N 341.367 2.697 30 40 EFEB Cc1nn(C)c(C)c1CN[C@@H]1CCCN(c2ccc(C#N)cc2F)C1 68991274 YVBVHOGBXFXCFP-MRXNPFEDSA-N 341.434 2.806 30 40 EFEB N#Cc1cc(C(=O)OC2CCN(c3nncc4ccccc34)CC2)c[nH]1 97049049 HKWAUANGSOADHN-UHFFFAOYSA-N 347.378 2.655 30 40 EFEB CN(C)C(=O)COc1cccc(CNc2ccc(C#N)cc2F)c1 72073056 KCTVFJSZUZSBEN-UHFFFAOYSA-N 327.359 2.776 30 40 EFEB Cc1csc(CN(C)[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)n1 95995302 SPHOFQKLOZANSU-MRXNPFEDSA-N 340.452 2.951 30 40 EFEB COc1ccccc1[C@@H](NC(=O)c1ccc(C#N)cc1)c1noc(C)n1 70982499 CSUHJJMXMKMUQI-QGZVFWFLSA-N 348.362 2.778 30 40 EFEB COC(=O)c1occc1Cn1cc(C#N)c(=O)c2cc(Cl)ccc21 78971869 BSNPKYDYVASDHU-UHFFFAOYSA-N 342.738 2.954 30 40 EFEB CN1C[C@@H](NC(=O)CCc2ccc(C#N)cc2)CC[C@@H]1C(F)(F)F 583618468 ZCZLFAROZJHCAF-LSDHHAIUSA-N 339.361 2.632 30 40 EFEB N#Cc1ccnc(SCc2ccc(S(=O)(=O)N3CCCC3)o2)c1 298608425 QMEBFLSTTYWBBS-UHFFFAOYSA-N 349.437 2.623 30 40 EFEB COc1cccc(N2CC[C@@H](CNC(=O)c3cccc(C#N)c3)C2)c1 69632561 AMQVJQNGNNPANN-INIZCTEOSA-N 335.407 2.823 30 40 EFEB COC(=O)c1cccc(NC(=S)N/N=C/c2ccccc2OC)c1 138628 UCXVSDGVWBBYCF-WOJGMQOQSA-N 343.408 2.802 30 40 EFEB CC(C)[C@@](C)(C#N)NC(=O)CNc1cc2c(cc1Cl)OCCO2 40487697 UCYFJXFADNRFPB-MRXNPFEDSA-N 337.807 2.578 30 40 EFEB COc1ccc(-c2nnc(NC(=O)C3(C#N)CCCC3)[nH]2)c(OC)c1 69348199 DUWQRXVYCMGWAO-UHFFFAOYSA-N 341.371 2.511 30 40 EFEB C=CCNC(=O)[C@@H](C#N)c1nc2ccccc2nc1N1CCCCCC1 2284926 PAKZMZASZJSLLT-HNNXBMFYSA-N 349.438 2.920 30 40 EFEB Cc1ccc(C(=O)NC2CCN(c3ncc(C#N)cc3Cl)CC2)o1 69485373 PUKAVVWPXWZXOB-UHFFFAOYSA-N 344.802 2.907 30 40 EFEB Cc1ccc(N(CCC#N)C(=O)c2ccc3c(c2)OCC(=O)N3)cc1 58173179 OYFJMLOYVBFFFS-UHFFFAOYSA-N 335.363 2.886 30 40 EFEB CN1C(=O)/C(=N\Nc2ccc(Cl)c(C(=O)O)c2)c2ccccc21 6640714 RQDMAINKFODQQF-RGEXLXHISA-N 329.743 2.831 30 40 EFEB O=S(=O)(Cc1ccon1)/N=C(\O)c1cccc(-c2ccoc2)c1 89979946 ZDNXXTAVKBYRRF-UHFFFAOYSA-N 332.337 2.769 30 40 EFEB N#Cc1cc([N+](=O)[O-])ccc1N[C@H](Cn1cncn1)c1ccccc1 76063451 MSUACWVDOJAZOR-QGZVFWFLSA-N 334.339 2.911 30 40 EFEB Cn1cc(Br)cc1C(=O)N[C@@H](C#N)c1ccccc1F 79988232 NWBNFKCTIOLBEA-LBPRGKRZSA-N 336.164 2.921 30 40 EFEB C[C@H](CC#N)NC(=O)[C@@H](Cc1ccccc1)NC(=O)c1cccs1 69814715 GASFCEJXFVDKDU-UKRRQHHQSA-N 341.436 2.508 30 40 EFEB COc1ccc(/C(N)=N/OC(=O)COc2cc(C)cc(C)c2)cc1 5535127 OBABWOMZONKXEQ-UHFFFAOYSA-N 328.368 2.555 30 40 EFEB COc1ccccc1NC(=N\O)/C(=N/O)Nc1ccccc1OC 5275096 MSWNIJCDIOPHBB-UHFFFAOYSA-N 330.344 2.803 30 40 EFEB N#Cc1ccc(CN2CCCN(Cc3nc(C4CC4)no3)CC2)cc1 29436560 OBSPOBZJYSCHKO-UHFFFAOYSA-N 337.427 2.527 30 40 EFEB O=S(=O)(N/N=C/c1ccccc1)c1ccc(Br)cc1 369589 YUQOKLGKZXNCDK-XNTDXEJSSA-N 339.214 2.762 30 40 EFEB CC(=O)NC[C@H]1CCCN(CC#Cc2ccc(C(F)(F)F)cc2)C1 89954682 WOEFGTBAZGPFNG-MRXNPFEDSA-N 338.373 2.905 30 40 EFEB Cc1ccccc1C1(CNC(=O)C(=O)Nc2ccc(C#N)cc2)CC1 69773156 OAFGFMNMICMYGQ-UHFFFAOYSA-N 333.391 2.653 30 40 EFEB C[C@@H](Oc1ccc(/C=N/c2cc([N+](=O)[O-])ccc2O)cc1)C(=O)O 59248685 HFLMISIPAWJDDC-IYPWXLATSA-N 330.296 2.903 30 40 EFEB Cc1ccc(C(=O)[C@H](C#N)C(=O)CCc2c(C)nn(C)c2C)s1 102763730 LMCBAEYPPLGFPL-CQSZACIVSA-N 329.425 2.931 30 40 EFEB CC(=O)c1ccc(S(=O)(=O)/N=C(\O)COC2CCCCC2)cc1 48473145 XHODZIIXLOXSDS-UHFFFAOYSA-N 339.413 2.884 30 40 EFEB O=C1CCCC2=C1[C@@H](c1ccccc1[N+](=O)[O-])c1c(O)n[nH]c1N2 18195476 VOBUVHUSAJQPOI-GFCCVEGCSA-N 326.312 2.588 30 40 EFEB COc1cc(/C=N/Nc2cnnc(O)c2Cl)c(Cl)cc1O 36612280 XJDUHCCLWXVUQD-SYZQJQIISA-N 329.143 2.649 30 40 EFEB C#CCOc1ccc(CN2CCC(c3n[nH]c4nccnc34)CC2)cc1 72393760 OQWCHFSIARUPKY-UHFFFAOYSA-N 347.422 2.745 30 40 EFEB CCOC(=O)[C@@H](c1nc(Br)sc1C)N(CC)CC#N 585116819 JNMDPKKGNGWEBN-SNVBAGLBSA-N 346.250 2.664 30 40 EFEB CN(c1cccc(/N=C/c2ccc3c(c2)OCO3)c1)S(C)(=O)=O 19855659 HHFAQDZIFBDZKT-LICLKQGHSA-N 332.381 2.562 30 40 EFEB CCCCNc1cc(C#N)ccc1S(=O)(=O)NCc1cccnc1 1615050974 RDENRHFYLSGVQU-UHFFFAOYSA-N 344.440 2.644 30 40 EFEB CC/C(=N/S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1)N1CCCCC1 4186724 NORFQZDZNROMKV-NXVVXOECSA-N 339.417 2.886 30 40 EFEB N#Cc1nc(-c2cccc(Cl)c2)oc1N1CCC(C(N)=O)CC1 534173 VPALIYCANQSSAY-UHFFFAOYSA-N 330.775 2.568 30 40 EFEB N#Cc1cc(F)c(N2CCN(C(=O)c3ccsc3)CC2)c(F)c1 58265328 ZEXWDDASCJPWIK-UHFFFAOYSA-N 333.363 2.860 30 40 EFEB COc1ccccc1-c1cc(NC(=O)COc2ccc(C#N)cc2)[nH]n1 58294242 BCUNTRLFFGOIGX-UHFFFAOYSA-N 348.362 2.974 30 40 EFEB N#CCn1c(C(=O)N2CCC[C@@H]2Cn2cccn2)cc2ccccc21 70040787 BDBBNFPCJUERFZ-MRXNPFEDSA-N 333.395 2.666 30 40 EFEB Cc1nc(C)n(C[C@H]2CCCN2Cc2cn3ccccc3c2C#N)n1 69464499 PATXFFSQQXKION-QGZVFWFLSA-N 334.427 2.684 30 40 EFEB CCCCS(=O)(=O)c1nnc(/N=C(\O)c2cccs2)s1 8768762 BRYKNVMAYYBUKU-UHFFFAOYSA-N 331.444 2.810 30 40 EFEB C#CCN(CC#C)C(=O)/C=C/c1ccc(OC(F)F)c(OCC)c1 72304670 OFRDIVYQPGFYNT-CSKARUKUSA-N 333.334 2.795 30 40 EFEB CNS(=O)(=O)c1ccc(C(=O)/C=C/c2cccnc2Cl)cc1 83882448 MQCALINAZATKET-RMKNXTFCSA-N 336.800 2.539 30 40 EFEB C/N=C(/NCCc1nc(C)no1)NCC1(c2ccccc2)CCCC1 79349674 WQCSCULGIVCYCO-UHFFFAOYSA-N 341.459 2.598 30 40 EFEB CCNC(=S)N/N=C/c1cc(Cl)c(OC(C)C)c(OC)c1 7008308 GAMQOUVZSUFETR-CAOOACKPSA-N 329.853 2.954 30 40 EFEB Cc1cc(C(=O)[C@@H](C#N)c2nc3ccccc3[nH]2)c2c(C)nn(C)c2n1 41494792 KDWPWDMTSVQKIL-CYBMUJFWSA-N 344.378 2.952 30 40 EFEB COc1ccc(/C(N)=N/OCc2cn3cc(Cl)ccc3n2)cc1 54230205 VMSJDOWKDRTWMB-UHFFFAOYSA-N 330.775 2.833 30 40 EFEB Cc1ccc(/C=N/n2c(=O)[nH]c3c([nH]c4ccc(C)cc43)c2=O)cc1 13549289 HTBFOUUTYHNZLD-KEBDBYFISA-N 332.363 2.670 30 40 EFEB COc1ccc(/C=N\OC(=O)c2cccc([N+](=O)[O-])c2)cc1OC 17282135 UPCDMZBWNHBGGO-YVLHZVERSA-N 330.296 2.803 30 40 EFEB Cc1ccc(F)c(S(=O)(=O)N(CCC#N)Cc2ccccn2)c1 69630663 FBBPCXFCPQTOHB-UHFFFAOYSA-N 333.388 2.634 30 40 EFEB C[C@H](C(=O)Nc1ccc(OCC#N)cc1)n1c(=O)oc2ccccc21 14490956 CHLYBPFNSOSIKR-GFCCVEGCSA-N 337.335 2.697 30 40 EFEB CSc1ncccc1C(=O)O[C@H](C)C(=O)NC1(C#N)CCCCC1 7657707 GHRMFMCCBBRLID-GFCCVEGCSA-N 347.440 2.691 30 40 EFEB C/N=C(/NCC(C1CC1)C1CC1)N1CCC(OC[C@H]2CCCO2)CC1 95410028 VVCQTHWUNROYSX-GOSISDBHSA-N 349.519 2.658 30 40 EFEB C=CCOC(=O)c1cc(-n2cccc2)ccc1N1CCN(C)CC1 226278254 UXWQZNRQLVIHCU-UHFFFAOYSA-N 325.412 2.572 30 40 EFEB C=CCN1CCC[C@@]12CCCN(S(=O)(=O)c1cccs1)C2 96214803 HXRVREXFXXWCGE-HNNXBMFYSA-N 326.487 2.553 30 40 EFEB N#Cc1cccc(CNC(=O)N2CCO[C@@H](Cc3ccccc3)C2)c1 96493982 NRNFBPUXRHBEIH-IBGZPJMESA-N 335.407 2.711 30 40 EFEB N#Cc1ncn(CC(=O)N[C@@H](c2ccccc2)C2CCCC2)c1C#N 97379987 ZRCTXIOULSHVET-IBGZPJMESA-N 333.395 2.674 30 40 EFEB N#Cc1c(N2CCCN(c3cccnn3)CC2)cccc1-n1cccc1 585092693 JDGHVOPXWLYEIN-UHFFFAOYSA-N 344.422 2.856 30 40 EFEB C=CCN(C(=S)Nc1ccc(C)cc1)[C@]1(C)CCS(=O)(=O)C1 575419900 AIXZYIMETKIACY-MRXNPFEDSA-N 338.498 2.757 30 40 EFEB C[C@@H](C#N)CSc1ccccc1NC(=O)CN1CCC(CO)CC1 69778331 LFTYAJDQEAFUCG-AWEZNQCLSA-N 347.484 2.581 30 40 EFEB O=C(CSC1CCCC1)NCC#CCN1CCc2ccccc2C1 75164958 WRCKTHPCGBBNND-UHFFFAOYSA-N 342.508 2.840 30 40 EFEB C=C1CC[C@@H]2[C@@](C)(CC[C@@H](O)[C@@]2(C)CO)[C@H]1CCC1=CCOC1=O 5664624 GVRNTWSGBWPJGS-NIMBFUQJSA-N 334.456 2.992 30 40 EFEB O=C(NC[C@@H]1CCC[C@H]1O)Nc1cccc(C#Cc2ccccn2)c1 96434834 OJOCFUYGCZBMLB-QFBILLFUSA-N 335.407 2.764 30 40 EFEB COc1ccc(/C=N/[C@H](C)CNS(=O)(=O)c2ccc(C)cc2)cc1 102547855 QUKRVYVFLFFLAD-DQPIFXJKSA-N 346.452 2.790 30 40 EFEB Cc1ccccc1[C@H](C)NC(=O)CCc1c(C)[nH]c(=O)c(C#N)c1C 9314060 XLMYYVJCSIZMMK-AWEZNQCLSA-N 337.423 2.982 30 40 EFEB N#Cc1ccccc1NC(=O)CCN1C[C@@H](O)C[C@@H]1C1CCCCC1 71908280 JTLNTEVGBGYMRH-PKOBYXMFSA-N 341.455 2.902 30 40 EFEB Cc1csc([C@H](C#N)C(=O)c2csc(-c3cnccn3)n2)n1 76020414 DCXLBWUUWCUBFR-SECBINFHSA-N 327.394 2.855 30 40 EFEB COc1ccc(OC)c(C(=O)N[C@H](C#N)c2ccc(F)cc2F)c1 79352447 POGMMELMWZIKHC-OAHLLOKOSA-N 332.306 2.977 30 40 EFEB C=CCOC(=O)c1cc(-n2cnnc2)ccc1N1CCC(C)CC1 226278600 ILSCCAFXKZDDNR-UHFFFAOYSA-N 326.400 2.846 30 40 EFEB C=CCN1CCC(NS(=O)(=O)c2cc(C)c(Cl)s2)CC1 195578783 GYGJJAXGHVVGSE-UHFFFAOYSA-N 334.894 2.639 30 40 EFEB N#Cc1cccc(CS(=O)(=O)N(C[C@@H]2CCCO2)C2CCCC2)c1 96428549 SLUMWLRYVDGMSJ-SFHVURJKSA-N 348.468 2.812 30 40 EFEB N#C[C@@H]1CN(C(=O)c2ccc(Oc3ccccc3)o2)CCN1C1CC1 95407190 SQDKLMBJPJEFDH-OAHLLOKOSA-N 337.379 2.884 30 40 EFEB Cc1occc1C(=O)N1CC[C@]2(CC(=O)N(c3cccc(C#N)c3)C2)C1 96238907 AFWZGBKZGOIHDO-FQEVSTJZSA-N 349.390 2.729 30 40 EFEB C=CC[C@@H](CC)NC(=O)Nc1ccc(CS(C)(=O)=O)c(F)c1 281427122 DXEGKXSZEADHAQ-GFCCVEGCSA-N 328.409 2.847 30 40 EFEB Cc1ccc(Cc2n[nH]c(=NC(=O)N[C@H]3CCC[C@H]3C#N)s2)cc1 613144505 ZPCCLGROZLGEIK-KBPBESRZSA-N 341.440 2.673 30 40 EFEB Cc1ccc(N2CCN(c3cc(C#N)c4ccccc4n3)CC2)nn1 1889149357 NOJMSPWWRVZWIW-UHFFFAOYSA-N 330.395 2.532 30 40 EFEB COc1ccc(C(=O)C2=C(O)C(=O)N[C@H]2c2cccc(F)c2)cc1 17159686 KJJQCNQLACQMEI-HNNXBMFYSA-N 327.311 2.700 30 40 EFEB C[C@H](CC#N)N1CCN([C@H](C)c2nc(-c3ccccc3)no2)CC1 53609619 XSPTZRANVNTSAH-HUUCEWRRSA-N 325.416 2.717 30 40 EFEB COc1ccccc1[C@H]1O[C@]2(C)OC(=N)[C@]1(C#N)C(C#N)(C#N)[C@@H]2C 100796114 LUFYEGVOQAFEAJ-USJGZYJXSA-N 336.351 2.670 30 40 EFEB CCOC(=O)Nc1cccc(NCC(=O)NC2(C#N)CCCC2)c1C 58440220 IEGPZEPUILUYGO-UHFFFAOYSA-N 344.415 2.928 30 40 EFEB Cc1nc(C(C)C)sc1C(=O)NS(=O)(=O)c1ccc(C#N)cc1 69547370 UBAIEFFQHYZOPQ-UHFFFAOYSA-N 349.437 2.565 30 40 EFEB COc1ccc([C@H]2NC(=O)C(O)=C2C(=O)c2cccs2)c(OC)c1 4901780 MWDOHIWAZKAQMO-CQSZACIVSA-N 345.376 2.631 30 40 EFEB O=C(OCC#Cc1ccccc1)[C@@H]1CCCN(C(=O)c2ccncc2)C1 76090066 AGLNOAISODHTQF-LJQANCHMSA-N 348.402 2.529 30 40 EFEB N#Cc1c(Cl)nsc1NCc1ccc(COCCO)c(F)c1 95394300 ZTPSIEDOLDQHHY-UHFFFAOYSA-N 341.795 2.928 30 40 EFEB O=C1NC(=S)N(c2ccccc2)C(=O)[C@@H]1/C=N/c1ccc(F)cc1 408742021 UIHHMOCZUFXVPD-LEBHLANCSA-N 341.367 2.592 30 40 EFEB C=CCc1cc(C=C(C(=O)OC)C(=O)OC)cc(OCC)c1OC 409074497 MEHVVRHCKFWDAS-UHFFFAOYSA-N 334.368 2.552 30 40 EFEB COc1ccc(-c2noc(COc3ccc(C#N)cc3OC)n2)cn1 72274958 ZQGTVJLWKLEYOW-UHFFFAOYSA-N 338.323 2.599 30 40 EFEB CCOC(=O)c1ccc(C#Cc2cnc3ccc(Cl)cn23)nc1 1615525386 BSNPCICIHZEWMN-UHFFFAOYSA-N 325.755 2.959 30 40 EFEB COc1ccc(CN2CC(=O)C(c3nc4ccc(C)cc4[nH]3)=C2N)cc1 11906263 NGSQJTQLCVETRN-UHFFFAOYSA-N 348.406 2.592 30 40 EFEB CS(=O)(=O)c1ccccc1C(=O)Nc1ccc(C#N)c(Cl)c1 8345904 SUCNEZGKONGDOG-UHFFFAOYSA-N 334.784 2.867 30 40 EFEB COc1ccc([C@H]2[C@@H]3CCCC[C@@]3(O)CCN2CC#N)c(OC)c1 26771640 JNNJEVXFLCNFBA-YTQUADARSA-N 330.428 2.895 30 40 EFEB biogenic N#Cc1ccc([C@@H]2CC(O)=Nc3nc(N4CCOCC4)sc32)cc1 36356934 VLHJHRBLRDYNOS-ZDUSSCGKSA-N 340.408 2.975 30 40 EFEB C[S@](=O)Cc1cccc(C(=O)OCCOc2ccc(C#N)cc2)c1 10779971 FKKNMMDYFBECQO-XMMPIXPASA-N 343.404 2.673 30 40 EFEB Cc1ccccc1OCCN1C(=O)N[C@](C)(c2ccc(C#N)cc2)C1=O 12876150 FQIVFRWRUBIBGS-HXUWFJFHSA-N 349.390 2.713 30 40 EFEB CCCCN1C(=O)C(C#N)=NN(c2ccc(Cl)cc2)[C@H]1OCC 3772045 RTUUAUSAOYYJIK-INIZCTEOSA-N 334.807 2.988 30 40 EFEB N#Cc1ccc(NCC(=O)N2CCC[C@H]2C(=O)Nc2ccccc2)cc1 69657160 REYLWGPPSFXBJF-SFHVURJKSA-N 348.406 2.600 30 40 EFEB CCOC(=O)C1=C(C)NC(=O)[C@@H](C#N)[C@H]1c1ccc(SC)cc1 4770797 YPAJFSODZRYGEU-DZGCQCFKSA-N 330.409 2.599 30 40 EFEB C[C@H](Sc1nnnn1C1CCCC1)C(=O)NC1(C#N)CCCCC1 16372032 USASNQSKSBPADK-LBPRGKRZSA-N 348.476 2.611 30 40 EFEB COC(=O)COc1ccc(C(=O)/C=C/c2cnc3ccccn23)cc1 71916337 NPYVBIVXIHAQMB-JXMROGBWSA-N 336.347 2.782 30 40 EFEB CC(=O)c1ccc(C#N)c(NC[C@H]2C[C@@H](O)CN2Cc2ccccc2)c1 97109498 ZRKDYNCEULVHNE-WOJBJXKFSA-N 349.434 2.808 30 40 EFEB N#Cc1cc(S(N)(=O)=O)ccc1NCc1ccc(F)c(Cl)c1 84341327 MIAWWWNDJOYZJL-UHFFFAOYSA-N 339.779 2.610 30 40 EFEB COCc1cc(C)nc(N/N=C\c2ccc(NC(C)=O)cc2)c1C#N 33686157 ZWGUSYPXBXVGBQ-JMIUGGIZSA-N 337.383 2.813 30 40 EFEB CCc1ccc2c(c1)/C(=N/Nc1ccccn1)C(=O)N2C1CSC1 223726201 MNSBGYNZLKSNKH-FXBPSFAMSA-N 338.436 2.922 30 40 EFEB CCN(CC)[C@@H](CNC(=O)c1cc(C#N)ccn1)c1ccsc1 225800629 JDYIZUDSDOIWLR-INIZCTEOSA-N 328.441 2.828 30 40 EFEB N#Cc1ccc(OC[C@@H](O)Cn2ccnc2-c2cccs2)cc1 96484737 UVEIRBLDIVASSL-AWEZNQCLSA-N 325.393 2.923 30 40 EFEB C/N=C(/NCCOC)N1CCC(c2nc3ccccc3s2)CC1 1615590387 OBJSFDVCJLJMMS-UHFFFAOYSA-N 332.473 2.698 30 40 EFEB C=CC/N=C1/S[C@H](CC(=O)Nc2ccccc2F)C(=O)N1CC=C 17085104 LRQMODSZXFGXFI-UFOSLELVSA-N 347.415 2.826 30 40 EFEB N#Cc1ccsc1NC(=O)CN1CCO[C@@H](c2ccc(F)cc2)C1 29538098 XWHJKBSQZFRBGH-OAHLLOKOSA-N 345.399 2.771 30 40 EFEB COC(=O)c1c(C)[nH]c(C(=O)/C=C2\C(=O)N(C)c3ccccc32)c1C 507845 WVQZJGPRJBBYQP-LCYFTJDESA-N 338.363 2.661 30 40 EFEB CN1C(=S)SC(C)(C)[C@@H]1/[N+]([O-])=C\C=C\c1ccc([N+](=O)[O-])o1 13756102 XLGZOBVJNPYUNM-UAINKPMTSA-N 341.414 2.850 30 40 EFEB CCCCOc1ccc(C(=O)OCC(=O)N[C@@](C)(C#N)C2CC2)cc1 7718667 CMFOMLQXPPPGJZ-IBGZPJMESA-N 344.411 2.831 30 40 EFEB N#Cc1ccc(CN2CCCN(C(=O)CCc3ccccn3)CC2)cc1 71841939 QRNJTEJQIUUDTJ-UHFFFAOYSA-N 348.450 2.620 30 40 EFEB N#Cc1ccc(NC(=O)N[C@H]2CCN(c3ccccc3F)C2=O)cc1 72281194 DKYXKZAEXMWJRT-HNNXBMFYSA-N 338.342 2.624 30 40 EFEB N#Cc1ccc(CCC(=O)N2CC(N3CCc4ccccc4C3)C2)cc1 253473088 RIMYSKGRXNUUQZ-UHFFFAOYSA-N 345.446 2.760 30 40 EFEB CCc1[nH]c(C(=O)N(CCC#N)Cc2ccco2)c(C)c1C(=O)OC 58203075 WPSQLKNYTRKSON-UHFFFAOYSA-N 343.383 2.821 30 40 EFEB CC(=O)C1=C(O)C(=O)N(Cc2cccnc2)[C@H]1c1ccccc1F 78140 MVNCOBIUVBZZKO-INIZCTEOSA-N 326.327 2.705 30 40 EFEB N#C[C@@H](C(=O)[C@@H]1CCCN(C(=O)Cc2ccccc2)C1)c1ccccn1 41480967 BSLULIUOUVFTDX-QZTJIDSGSA-N 347.418 2.739 30 40 EFEB C=CCOc1cccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1 52410978 CHUUNEDFMUZIKS-UHFFFAOYSA-N 334.353 2.960 30 40 EFEB C[C@@H](OC(=O)c1n[nH]c2ccccc12)C(=O)Nc1ccc(C#N)cc1 5360677 CLYBRZJCCFWVPB-LLVKDONJSA-N 334.335 2.619 30 40 EFEB Cc1oc(-n2cccc2)c(C#N)c1C(=O)N1CCC[C@@H]1Cn1cccn1 70007196 AEJAPUAQTYRRNG-OAHLLOKOSA-N 349.394 2.752 30 40 EFEB N#Cc1c(NC(=O)[C@H]2C[C@@H]2c2cccc(F)c2)nc2n1CCS2 78789144 OSOSMXXYKBQVJD-NEPJUHHUSA-N 328.372 2.742 30 40 EFEB N#Cc1cccc(Cl)c1N[C@@H]1CCN(C(=O)c2ccccn2)C1 95442218 GXWSERMWLZSWGE-CYBMUJFWSA-N 326.787 2.933 30 40 EFEB Cc1oc(NC(=O)CN(CCC#N)Cc2ccccn2)c(C#N)c1C 95431480 HSMZBWLBKLQSOE-UHFFFAOYSA-N 337.383 2.518 30 40 EFEB CCOCCCN/C(=N/CCc1cccs1)NCc1ccccn1 84801263 IUEVUEIFLKKWJC-UHFFFAOYSA-N 346.500 2.848 30 40 EFEB Cc1nc2cc(NS(=O)(=O)c3cccc(C#N)c3)ccc2n1C 79051789 HIWWFFLROJPFEQ-UHFFFAOYSA-N 326.381 2.554 30 40 EFEB Cc1ccn(CC(=O)N[C@H](c2cccs2)C(C)(C)C)c(=O)c1C#N 122020234 MYPQRRQDQMEGKZ-MRXNPFEDSA-N 343.452 2.994 30 40 EFEB N#Cc1ccc(Cn2cc([C@H]3OCCN3c3ccc(F)cc3)nn2)cc1 216771092 QYSFMLVZRMGMOT-LJQANCHMSA-N 349.369 2.873 30 40 EFEB Cc1ccc(C(=O)NCCNc2cccc(F)c2C#N)cc1[N+](=O)[O-] 47332566 FBDZYUSBQZIPQM-UHFFFAOYSA-N 342.330 2.756 30 40 EFEB N#Cc1ccnc(S[C@@H]2CCN(c3sccc3C#N)C2=O)c1 96459439 SWGAFHWSSZLBIG-GFCCVEGCSA-N 326.406 2.784 30 40 EFEB COc1ccc(-n2nnc(C)c2C(=O)Nc2cccc(C#N)c2)cc1 19554689 GOZLSUQCCBRPIE-UHFFFAOYSA-N 333.351 2.708 30 40 EFEB COc1cccc([C@@H]2C(C(C)=O)=C(O)C(=O)N2Cc2cccnc2)c1 78046 RUPSKLXIUSAVHN-QGZVFWFLSA-N 338.363 2.575 30 40 EFEB biogenic N#Cc1ccc(CS(=O)(=O)NC(=O)c2sccc2C2CC2)cc1 69775976 VAZKWSZCLDPTSU-UHFFFAOYSA-N 346.433 2.757 30 40 EFEB C#CCOc1c(Cl)cc(/C=N/NC(=S)NCC)cc1Cl 6891523 FOSABRNZPLNCJV-CAOOACKPSA-N 330.240 2.823 30 40 EFEB O=C1CS/C(=N/S(=O)(=O)c2ccccc2)N1c1ccccc1 101219050 ZAGPLLBFUWFUQH-FOCLMDBBSA-N 332.406 2.511 30 40 EFEB C=CCOc1c(Br)cc(CN[C@H](CC)CO)cc1OC 8327010 XWUYHDSTSIQLMJ-GFCCVEGCSA-N 344.249 2.883 30 40 EFEB O=C1CS/C(=N\S(=O)(=O)c2cccs2)N1c1ccccc1 12438296 MYTSLQIBXCKOQB-YPKPFQOOSA-N 338.435 2.573 30 40 EFEB CNc1ccccc1C(=O)/N=C(\N)Nc1nc(C)c2ccccc2n1 1251813 CNEIENPNCYIKIZ-UHFFFAOYSA-N 334.383 2.547 30 40 EFEB N#Cc1cccnc1NCCNC(=O)[C@H]1C[C@H]1c1cccc(Cl)c1 58324916 AHMXYHBMXBWPHG-HOTGVXAUSA-N 340.814 2.938 30 40 EFEB CCOc1ccc(N(CCC#N)C(=O)COC(=O)c2ccco2)cc1 10668634 FNWKECYFSSQHIW-UHFFFAOYSA-N 342.351 2.782 30 40 EFEB N#CCCN(Cc1cccnc1)C(=O)c1ccn(-c2cccc(F)c2)n1 69442651 JLMNROQUDYTHCE-UHFFFAOYSA-N 349.369 2.962 30 40 EFEB Cc1nnc(NCCCC(=O)N2CCc3ccccc3C2)c(C#N)c1C 71899603 IOJIBFBMUUHATC-UHFFFAOYSA-N 349.438 2.742 30 40 EFEB CSC[C@H](C)/C(O)=N/S(=O)(=O)c1ccccc1OC(F)F 95394268 FCAQHJDWHSRGLZ-QMMMGPOBSA-N 339.385 2.932 30 40 EFEB COCCn1nc(C)c(CNc2nc3c(cc2C#N)CCCC3)c1C 95980552 TZMMAJXGPGCVTN-UHFFFAOYSA-N 339.443 2.904 30 40 EFEB COc1ccc(C[C@H](CO)CNc2cccc(F)c2C#N)cc1O 78338003 SNIZAFBUDUJNJX-ZDUSSCGKSA-N 330.359 2.675 30 40 EFEB N#Cc1cnn(-c2cccc(C(=O)NCCC3=CCCCC3)c2)c1N 95394607 VSRLXXOGAQZTHA-UHFFFAOYSA-N 335.411 2.946 30 40 EFEB Cn1ccc(C/C(O)=N/S(=O)(=O)c2ccc(C(C)(C)C)s2)n1 96501352 OOSOJJBYCWFMJQ-UHFFFAOYSA-N 341.458 2.667 30 40 EFEB C=CCSCC(=O)NC[C@@H]1CCN(c2ccc(F)c(F)c2)C1 58289591 DDVKGRAZJFBXMK-LBPRGKRZSA-N 326.412 2.827 30 40 EFEB C=CCc1ccccc1OC[C@@H](O)Cn1cnc2ccccc2c1=O 40477408 GQXKALGHYHGLDE-INIZCTEOSA-N 336.391 2.565 30 40 EFEB N#Cc1cccc(C(=O)Nc2ccc(NC(=O)[C@H]3CCCO3)cc2)c1 32809412 OCHNDWHDNOMEHF-QGZVFWFLSA-N 335.363 2.928 30 40 EFEB N#C[C@@H](C(=O)Cc1coc(-c2ccccc2)n1)C(=O)Nc1ccccn1 103717529 ODDILMIIGAHQNH-HNNXBMFYSA-N 346.346 2.627 30 40 EFEB N#C[C@H](C(=O)Cc1cccc(C(F)(F)F)c1)C(=O)Nc1ccccn1 104055949 JXSVKYZSNFKQOP-CYBMUJFWSA-N 347.296 2.990 30 40 EFEB CCc1ccc(C(=O)N2CCCN(c3ncccc3C#N)CC2)s1 55741249 PSWPRDJIGCDEHM-UHFFFAOYSA-N 340.452 2.930 30 40 EFEB COc1cc(/C=N/n2cnnc2)ccc1OC(=O)c1ccccc1F 3254885 IOUGGYSRUROKKO-ZVBGSRNCSA-N 340.314 2.527 30 40 EFEB C=CCOC(=O)[C@@H](C#N)c1nc2ccccc2nc1N1CCCCC1 2324538 KVKGUFLSFSSKPY-AWEZNQCLSA-N 336.395 2.956 30 40 EFEB C[C@@H](Sc1nnnn1C1CCCC1)C(=O)Nc1ccc(C#N)cc1 12791025 VEYDCCKDOGPFLY-LLVKDONJSA-N 342.428 2.779 30 40 EFEB COc1cc2c(cc1/C=N/NC(=S)Nc1ccccc1)OCO2 409053773 PJZWSMZTHDFQEZ-RQZCQDPDSA-N 329.381 2.744 30 40 EFEB Cc1nc(C)n(C[C@H]2CCCN(CCOc3ccc(C#N)cc3)C2)n1 69952128 CKBWNQCELTUBQA-SFHVURJKSA-N 339.443 2.558 30 40 EFEB COc1ccc(S(=O)(=O)N(CC#N)c2ccccc2)c(C)c1F 96008324 NXINHICMDUQTFU-UHFFFAOYSA-N 334.372 2.862 30 40 EFEB C#CCN(Cc1nc2ncc(Br)cc2[nH]1)Cc1ccco1 72290407 FFEHZGSKDBOFQF-UHFFFAOYSA-N 345.200 2.949 30 40 EFEB CCC[C@H](C#N)NC(=O)C1=NN(c2cc(C)ccc2C)C(=O)CC1 89949382 YLEYAGJDOAGMIG-CQSZACIVSA-N 326.400 2.595 30 40 EFEB C[C@@H](CNc1ccc(C(F)(F)F)c(C#N)c1)N1CCN(C)CC1 97144764 UQNVXVZAPYQUEO-LBPRGKRZSA-N 326.366 2.625 30 40 EFEB CCc1nc2n(n1)CCC[C@H]2NC(=O)N[C@H](C)c1cccc(C#N)c1 79069752 RSWJXTATLMTOMR-IUODEOHRSA-N 338.415 2.607 30 40 EFEB C=CCO[C@H]1CCN(Cc2cccc(C#N)c2)[C@H]1Cc1cnn(C)c1 306137245 QQKHJCCOBIZHJV-PMACEKPBSA-N 336.439 2.680 30 40 EFEB Cc1ccc([C@@H]2[C@@H](S(=O)(=O)c3ccc(C)cc3)[C@]2(C#N)C=O)cc1 218445277 PXQUULOJWGSJQP-GUDVDZBRSA-N 339.416 2.952 30 40 EFEB CCO/C(O)=N/c1nnc(SCC(=O)NC2CCCCC2)s1 32891719 CDMQJMSLCFNNEG-UHFFFAOYSA-N 344.462 2.661 30 40 EFEB N#Cc1ccc(F)c(COC(=O)[C@H]2CCCN2C(=O)c2ccco2)c1 96452604 UPYWAGRKLWPERP-OAHLLOKOSA-N 342.326 2.638 30 40 EFEB CCN(c1cccc(F)c1)S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N 96471750 ZRTDSQJOXNAMAP-UHFFFAOYSA-N 349.343 2.821 30 40 EFEB N#C[C@H](C(=O)Cn1cccn1)c1cccc(OC(F)(F)Cl)c1 255189930 TUQRYSGZGZAFNX-LBPRGKRZSA-N 325.702 2.927 30 40 EFEB COC(=O)c1sc(NC(=O)c2ccc(C#N)cc2F)c(C#N)c1C 9142085 BYJUKVVGWBIOMQ-UHFFFAOYSA-N 343.339 2.978 30 40 EFEB CC(C)NC(=O)[C@H](C#N)C(=O)[C@H]1C[C@@H]1c1cccc(Br)c1 103726930 WKIMYRIQRDNBJD-HZSPNIEDSA-N 349.228 2.786 30 40 EFEB C[C@H](NC(=O)CC1CCCCC1)C(=O)N[C@H](C#N)c1ccsc1 71847764 ACWIJQKPKIJCGN-SWLSCSKDSA-N 333.457 2.904 30 40 EFEB C=CCCC(=O)N(CC(=O)OCC)Cc1ccc(OC)c(OC)c1 75146185 TUTBMKXKZQXRGR-UHFFFAOYSA-N 335.400 2.562 30 40 EFEB C=CCN(Cc1cccs1)C(=O)c1cnc2c(cnn2C)c1OC 97371807 OTQXRNNRFMGGJZ-UHFFFAOYSA-N 342.424 2.867 30 40 EFEB N#C[C@]1(N)[C@@H](c2cccc(Cl)c2)[C@H]1S(=O)(=O)c1ccccc1 252513892 AOZAZCCRJDQADV-XHSDSOJGSA-N 332.812 2.501 30 40 EFEB O=C1C(Nc2ccccc2)=C(N2CCOCC2)C(=O)c2ccccc21 3904075 XXMWKFRERSOEPV-UHFFFAOYSA-N 334.375 2.722 30 40 EFEB COc1ccc(NC(=O)c2cccc(C#N)c2)c(C(=O)NC2CC2)c1 69699660 MODKSVMXNQFCJT-UHFFFAOYSA-N 335.363 2.711 30 40 EFEB Cc1nc(C)c(S(=O)(=O)/N=C(\O)COc2ccccc2C)s1 83150758 OZOKWVJUBRJYCN-UHFFFAOYSA-N 340.426 2.793 30 40 EFEB C#CCOc1cccc(NC(=O)N[C@H](C)Cc2c(C)nn(C)c2C)c1 96434736 BISMEACZVYOWOL-CYBMUJFWSA-N 340.427 2.802 30 40 EFEB COc1ccc([C@H](C#N)NC(=O)CO[C@H]2CCC[C@H](C)C2)c(OC)c1 71903057 RTKMWDSKZVYMRJ-QRTARXTBSA-N 346.427 2.980 30 40 EFEB CCCn1cc(/C(O)=N/S(=O)(=O)Cc2ccccc2Cl)cn1 97081463 LREOOHYJIJESFF-UHFFFAOYSA-N 341.820 2.781 30 40 EFEB N#Cc1cc(N[C@H]2CCN(C(=O)C3CCCC3)C2)ccc1[N+](=O)[O-] 97145155 WNQSFVNBAZOVEC-HNNXBMFYSA-N 328.372 2.669 30 40 EFEB CC(=O)Nc1c[nH]nc1[C@@H]1CCCN(c2cccc(F)c2C#N)C1 95999505 PXJUULOQYBODFF-GFCCVEGCSA-N 327.363 2.763 30 40 EFEB N#CCCN(c1ccccc1)S(=O)(=O)c1cccc2nsnc12 75475624 YQYKJIFLPRWKGW-UHFFFAOYSA-N 344.421 2.800 30 40 EFEB Cc1cccc(Cc2c(N)cc(C#N)n2CC(=O)N2CCCCC2)c1 225858104 FTGWXRVYZMIFGK-UHFFFAOYSA-N 336.439 2.854 30 40 EFEB CS(=O)(=O)Nc1cccc(CNc2c(F)cc(C#N)cc2F)c1 58300374 NBNFBJYHKQANPC-UHFFFAOYSA-N 337.351 2.820 30 40 EFEB C=C1[C@H](O)[C@@]23CC[C@@H]1C[C@@H]2[C@@]12C=[N+](CCO)C[C@@](C)(CCC1)[C@H]2CC3 5493563 RXGJFLXLQIECAN-NGEYSQDSSA-N 344.519 2.996 30 40 EFEB C=C(C)CN(CC)C(=O)Cn1cnc2c(oc3ccccc32)c1=O 12821234 OIAHQYLTCLYTNK-UHFFFAOYSA-N 325.368 2.567 30 40 EFEB C/C(=N/N=C1\NC(=O)[C@@H](C)S1)c1ccc(Br)cc1 13547946 CSPBWNLDCZECRE-YCAXJWCXSA-N 326.219 2.781 30 40 EFEB Cc1nc(C)c(C(=O)N2CCN([C@@H](C#N)C3CCCCC3)CC2)s1 57234962 WFWCHUNEVUADKP-INIZCTEOSA-N 346.500 2.990 30 40 EFEB CCCC(=O)NC1CCN(c2cc(C#N)cc([N+](=O)[O-])c2C)CC1 48286453 LQSCVIXUWKROAM-UHFFFAOYSA-N 330.388 2.660 30 40 EFEB C[C@@H](OC(=O)c1ccccc1Sc1ccccc1C#N)C(N)=O 3450687 NUQMIMICIWRBPE-LLVKDONJSA-N 326.377 2.740 30 40 EFEB COc1cc(OC)cc(N2CC[C@@H](CNc3cnccc3C#N)C2)c1 91738964 SKTAPAQDFIAZJC-AWEZNQCLSA-N 338.411 2.909 30 40 EFEB CCCCNC(=O)NC(=O)CNc1ccccc1SC[C@H](C)C#N 69699554 NVIMITCHRIRYPV-CYBMUJFWSA-N 348.472 2.976 30 40 EFEB N#Cc1cccc(CN[C@@H](Cc2ccccc2)C(=O)N2CCCC2)c1 69869373 IALKWMGRMHCPCD-FQEVSTJZSA-N 333.435 2.882 30 40 EFEB COc1cc(C(=O)O)ccc1O[C@@H](C)C(=O)NC1(C#N)CCCCC1 13420040 GTIVXDXTQIXCFI-LBPRGKRZSA-N 346.383 2.503 30 40 EFEB C[S@@](=O)c1cccc(NC(=O)NCc2cc(C#N)ccc2F)c1 76070018 GOSFAXRSHLNMLO-QHCPKHFHSA-N 331.372 2.756 30 40 EFEB C=CCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)OC)cc1 14093284 VHEKGKJYQHFCQC-UHFFFAOYSA-N 331.393 2.855 30 40 EFEB CC1=C[C@@H]2OC3(C(=O)c4ccccc4C3=O)C3=C(CCCC3=O)N2C=C1 4770804 LKEAKTUTPHBRRB-KRWDZBQOSA-N 347.370 2.943 30 40 EFEB C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)COc1ccc(C#N)cc1 7168831 DQJIJDGFNMBXRN-CYBMUJFWSA-N 335.363 2.701 30 40 EFEB COc1ccc(OC)c(C(=O)N[C@@H](C#N)c2ccc(F)cc2F)c1 79352441 POGMMELMWZIKHC-HNNXBMFYSA-N 332.306 2.977 30 40 EFEB COC(=O)[C@@H](NC(=O)OC(C)(C)C)[C@H](C)B1OC(C)(C)C(C)(C)O1 1535645024 OZUZKIPTIWOLBK-QWRGUYRKSA-N 343.229 2.535 30 40 EFEB CS(=O)(=O)/N=C(\O)C1CCC(NC(=O)CC2CCCCC2)CC1 78979018 OBMUUZQYGWPAFR-UHFFFAOYSA-N 344.477 2.548 30 40 EFEB C=C[C@@H](CC(=O)N[C@H]1CCCN(c2cnn(C)c2)C1)c1ccccc1 195546379 CDJPKISRSFLQSZ-WMZOPIPTSA-N 338.455 2.865 30 40 EFEB C=CCN(c1cccc(C(=O)OC)c1)S(=O)(=O)c1ccccc1 224677077 BZFYBUAMZMEHAP-UHFFFAOYSA-N 331.393 2.855 30 40 EFEB COc1ccc(S(=O)(=O)/N=C2\C=CC(=O)c3ccccc32)cc1 207198 NMSBRWRKOJZTBU-FBMGVBCBSA-N 327.361 2.626 30 40 EFEB C#CCN1C(=O)S/C(=C/c2ccc(N3CCOCC3)cc2C)C1=O 1128340 SRUZBKBXJVXZOP-FOWTUZBSSA-N 342.420 2.501 30 40 EFEB COc1cc(OC)c(OC)cc1/C=N/C[C@H]1COc2ccccc2O1 2116372 PYMSSXKLRDHDOS-ANKPHQHTSA-N 343.379 2.971 30 40 EFEB biogenic N#Cc1cccc(NC(=O)COC(=O)COc2cccc(Cl)c2)c1 5802347 UQASHJDVWFJEIX-UHFFFAOYSA-N 344.754 2.772 30 40 EFEB COc1cccc(NC(=O)[C@@H]2CCCN2/C=C/C(=O)C(F)(F)F)c1 4119687 YIGKSIGLAZMKCU-XOVSCCBYSA-N 342.317 2.743 30 40 EFEB C[C@@H](Oc1ccccc1C#N)C(=O)Nc1ccc(N2CCCC2)nc1 29784004 OTRYTWAMXWVREN-CQSZACIVSA-N 336.395 2.959 30 40 EFEB Cc1nn(CCOc2ccc(Br)cc2)c(=O)c(C#N)c1C 26717162 OTUAIMPFGRAIRT-UHFFFAOYSA-N 348.200 2.573 30 40 EFEB CC(C)c1ccc(NC(=O)CSc2ncc(C#N)c(N)n2)cc1 22031164 ALTOTSNWMIXYRA-UHFFFAOYSA-N 327.413 2.785 30 40 EFEB C[C@H](C#N)CN(C)CCS(=O)(=O)c1cc(Cl)ccc1Cl 49001140 GUTLJTLQRBLQGM-SNVBAGLBSA-N 335.256 2.859 30 40 EFEB CC/N=C(/NCc1cnn(C)c1)NCc1ccc(F)cc1CSC 97021810 DBJUKSZHQSWMOJ-UHFFFAOYSA-N 349.479 2.678 30 40 EFEB Cc1cc([C@H]2NC3(CCCC3)C(=O)N2CC2CC2)c(C)n1CC#N 95408355 DCBFYKNLWXQDKA-KRWDZBQOSA-N 326.444 2.782 30 40 EFEB Cc1cccc(NS(=O)(=O)c2cccc(F)c2[N+](=O)[O-])c1C#N 95987684 ZSUNTYJJTYXNRR-UHFFFAOYSA-N 335.316 2.715 30 40 EFEB CC/N=C(/NCCc1csc(C)n1)NCc1cccc(OC)c1 195530271 OYSSJNYXJGDXFW-UHFFFAOYSA-N 332.473 2.758 30 40 EFEB Cc1cccc(NC(=O)[C@@H](C#N)C(=O)c2ccc3c(c2)ncn3C)c1 101989265 ORPGKZOHTIBDOP-HNNXBMFYSA-N 332.363 2.843 30 40 EFEB COc1ccc(NC(=O)C(=O)/C=C(\O)c2ccc(OC)cc2)cc1 102860831 YIUGQHDDKDVJLK-WJDWOHSUSA-N 327.336 2.811 30 40 EFEB Cc1nc2c3ccccc3nn2c(C)c1CCC(=O)N[C@H](C)CC#N 58419793 KAFYJKMUGNPHNV-GFCCVEGCSA-N 335.411 2.850 30 40 EFEB Cc1nc2ccc(Br)cc2c(=O)n1N=Cc1ccco1 409307742 VZZCXEUKCVVQMV-UHFFFAOYSA-N 332.157 2.943 30 40 EFEB Cc1cc(C)cc(N(CCC#N)C(=O)CSc2cccc[n+]2[O-])c1 5779997 TWINNLFDIAGUIG-UHFFFAOYSA-N 341.436 2.976 30 40 EFEB C[C@@H](C#N)CNC(=O)Nc1ccc(C(=O)NCc2ccccc2)cc1 84638417 IAMSIKXPDIURAU-AWEZNQCLSA-N 336.395 2.898 30 40 EFEB Cc1ccc(Cl)cc1S(=O)(=O)N(CC#N)CC(F)(F)F 95466259 JXLJHZQWCGELCI-UHFFFAOYSA-N 326.727 2.725 30 40 EFEB CCc1cnc(CNC(=O)N2CC(Oc3ccc(C#N)cc3)C2)s1 95943106 NALNNCNOUNPVMD-UHFFFAOYSA-N 342.424 2.550 30 40 EFEB C=CCSc1nnc(NS(=O)(=O)c2ccc(F)cc2)s1 225737189 XOINJBGKPUSPKS-UHFFFAOYSA-N 331.419 2.756 30 40 EFEB CC(C)CNC(=O)N1CCC[C@@H](CC(=O)[C@@H](C#N)c2ccccn2)C1 96422135 JWRHPOKLSCTLGG-HOTGVXAUSA-N 342.443 2.726 30 40 EFEB COc1ccc(/C(C)=N/N2CCN(c3ccccn3)CC2)cc1OC 16712314 JWCIRZMHBQAARR-RCCKNPSSSA-N 340.427 2.645 30 40 EFEB NC(=O)[C@H]1C2=C(CCCC2)S[C@@H]1/N=C\c1ccc(O)c([N+](=O)[O-])c1 6240342 KOVLWMKSLDDAAI-BIHVFNQBSA-N 347.396 2.722 30 40 EFEB Cc1ccc(NC(=O)Cn2c(C)cc(C)c(C#N)c2=O)c(Cl)c1 3029833 KBRBGBUHCKJAQG-UHFFFAOYSA-N 329.787 2.937 30 40 EFEB C(#CCOc1ccc2c(c1)OCO2)COc1ccc2c(c1)OCO2 1573256 CNYBYQWTWSUZLC-UHFFFAOYSA-N 326.304 2.605 30 40 EFEB C[C@H](NC(=O)c1sc2nc(N)c(C#N)cc2c1N)c1ccccc1 32929457 GTVPTDHGQOFTKO-VIFPVBQESA-N 337.408 2.823 30 40 EFEB Cc1nnc(N2CCCN(Cc3ccc(C#N)cc3)CC2)c(C#N)c1C 24055395 YJBWRGGUEURIRJ-UHFFFAOYSA-N 346.438 2.549 30 40 EFEB N#Cc1c(F)cccc1N1CCN(C(=O)N[C@@H]2CC=CCC2)CC1 77639510 BQQRNVRWGCGPPQ-CQSZACIVSA-N 328.391 2.638 30 40 EFEB C#CCOc1ccc(CCNC(=O)CSCc2ccncc2)cc1 58356181 IMWFMPKJHXUACA-UHFFFAOYSA-N 340.448 2.686 30 40 EFEB Cc1cc(C)n(C[C@H](C)CNC(=O)Nc2cccc(OCC#N)c2)n1 48509579 VKEKLFJIJWZOCW-CYBMUJFWSA-N 341.415 2.860 30 40 EFEB COc1ccc([C@H](CC(=O)Nc2ccc(C#N)cc2)NC(C)=O)cc1 8705656 GJSZGLLYHCTRSS-SFHVURJKSA-N 337.379 2.773 30 40 EFEB COC(=O)c1ccc(/C=N/OCC(=O)N[C@@H]2CCC[C@@H](C)[C@H]2C)cc1 6047371 YZJSIJDZAWLCQD-GBYKNZAESA-N 346.427 2.765 30 40 EFEB CCN(Cc1ccc(N(C)C)cc1)S(=O)(=O)c1cccc(C#N)c1 14099558 KNWZTOWIWHGWPM-UHFFFAOYSA-N 343.452 2.835 30 40 EFEB N#Cc1cccc(/C=C/C(=O)N[C@H](Cn2cncn2)c2ccccc2)c1 71847482 CIMZRGOVBAJQJZ-JBVUFVISSA-N 343.390 2.721 30 40 EFEB C[C@@H](OCC1CC1)/C(O)=N/S(=O)(=O)c1ccc(C#N)c(Cl)c1 71883894 HCPIADYWVHJZSH-SECBINFHSA-N 342.804 2.672 30 40 EFEB Cc1ccc([C@@H](CNc2ccc(C#N)cn2)N2CCOCC2)s1 72276393 KJPTZSUADBVBBL-OAHLLOKOSA-N 328.441 2.809 30 40 EFEB C[C@H](Oc1ccc(C#N)cc1)C(=O)N1CCC(=O)Nc2ccccc21 72288072 CFFMAQYQIURJIA-ZDUSSCGKSA-N 335.363 2.701 30 40 EFEB N#C[C@@H](C(=O)[C@H]1CC(=O)N(C2CCCCCC2)C1)c1ccccn1 78611942 KQXHUNCTFLAXCC-GOEBONIOSA-N 325.412 2.829 30 40 EFEB CC1(/C(O)=N/C2CCN(C(=O)CCc3ccccc3)CC2)COC1 329428525 GQTKGTRUPKRLPN-UHFFFAOYSA-N 330.428 2.603 30 40 EFEB COc1ccc([C@@H](C/N=C(/N)N(C)C2CC2)N2CCCCC2)cc1 97371836 GUUSCGSZPGGHSO-GOSISDBHSA-N 330.476 2.631 30 40 EFEB Cc1cc(C)c(C#N)c(S[C@@H]2CCCN(c3cnn(C)c3)C2=O)n1 96424799 NILQVTGSPUJXSW-OAHLLOKOSA-N 341.440 2.591 30 40 EFEB Cc1cc(C)nc(Nc2ccc(O)c(C(=O)N(C)[C@H](C)CC#N)c2)n1 1616037517 JIXXTIODGIYAAR-CYBMUJFWSA-N 339.399 2.917 30 40 EFEB C#CCOc1ccc([N+](=O)[O-])cc1/C=N/Nc1nc2ccccc2n1C 7343315 WXGNVSNXTIOHFQ-XDHOZWIPSA-N 349.350 2.940 30 40 EFEB CCc1nnc(S)n1/N=C/c1ccc(OC)c(Br)c1 5547816 KIUMNUZTQMHHLH-VGOFMYFVSA-N 341.234 2.783 30 40 EFEB N#Cc1c(N)nc(SCCO)c(C#N)c1-c1ccc(Cl)cc1 20094435 UKMAKZTUEVVGLQ-UHFFFAOYSA-N 330.800 2.812 30 40 EFEB O=C(C[n+]1cccc(I)c1)c1ccc(F)cc1 1666158 MZCISDHEFCDJQL-UHFFFAOYSA-N 342.131 2.601 30 40 EFEB Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N1CC[C@H]2CCCC[C@H]2C1 52895179 XDUZWTSIYHKMOP-CVEARBPZSA-N 341.455 2.835 30 40 EFEB N#C[C@H](C(=O)CCc1ccc(C(F)(F)F)cc1)C(=O)N1CCCC1 102762599 LRVYESJWRIYFHQ-CQSZACIVSA-N 338.329 2.969 30 40 EFEB O=C1[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@H]34)[C@@H]2C(=O)N1/N=C/c1c[nH]c2ccccc12 100228398 KHLAISZHHLNBQU-KVPPFWHCSA-N 331.375 2.555 30 40 EFEB Cc1ccc(C)c(S(=O)(=O)N(CCC#N)Cc2ccccn2)c1 69652011 SPMCOJIAXIMRSI-UHFFFAOYSA-N 329.425 2.803 30 40 EFEB CCN1CCC[C@H]1[C@H]1CCCN1C(=O)COc1ccc(CC#N)cc1 106662051 QLCWNFNSHCZHPZ-RBUKOAKNSA-N 341.455 2.607 30 40 EFEB C[C@@H](NC(=O)NCCCc1n[nH]c(N)c1C#N)c1cccc(Cl)c1 44909863 QYILGOFSLXNGEM-SNVBAGLBSA-N 346.822 2.510 30 40 EFEB C=CCN(Cc1ccc(Cl)s1)C(=O)c1nc2nccc(C)n2n1 48375272 GUQFKTMLTWYPFH-UHFFFAOYSA-N 347.831 2.976 30 40 EFEB Cn1cc(/C=C/C(=O)c2ccc(-c3ccccc3)cc2)c(=O)n(C)c1=O 25251281 TYRNNGXQUCDRLK-OUKQBFOZSA-N 346.386 2.647 30 40 EFEB Cc1ccccc1N=C[C@@H]1C(=O)NC(=O)N(c2ccccc2F)C1=O 408526416 AMXKUSHUKKVAMB-GFCCVEGCSA-N 339.326 2.736 30 40 EFEB C[C@@]1(c2cccc(C#N)c2)NC(=O)N(Cc2ccc(C#N)cc2F)C1=O 70040293 VNKPAXCCWOUUIF-IBGZPJMESA-N 348.337 2.536 30 40 EFEB C[C@@H](NC(=O)CO/N=C(\N)c1ccccc1)c1cc2ccccc2o1 14234625 NOQHHGPRVFRHNU-CYBMUJFWSA-N 337.379 2.947 30 40 EFEB COc1ccc(NS(=O)(=O)/N=C(\O)c2c[nH]c3ccccc23)cc1 6719698 KATVHNMTSFJUHX-UHFFFAOYSA-N 345.380 2.838 30 40 EFEB CN(CC(=O)Nc1ccccc1C#N)Cc1cnn(-c2ccccc2)c1 8709411 SCZXOBUELDBONI-UHFFFAOYSA-N 345.406 2.814 30 40 EFEB C=CCc1ccccc1OC[C@@H](O)CN1CCC[C@H]1c1cnn(C)c1 71799299 QOZBJCQQMSGXSJ-OALUTQOASA-N 341.455 2.725 30 40 EFEB N#Cc1c(NC(=O)CCc2cc(F)ccc2F)nc2n1CCS2 72287809 OTQFGDOEBCCFCB-UHFFFAOYSA-N 334.351 2.710 30 40 EFEB CS(=O)(=O)Cc1ccccc1CNc1ccc([N+](=O)[O-])c(C#N)c1 97145029 HECBDQUCUMTBAN-UHFFFAOYSA-N 345.380 2.623 30 40 EFEB C[C@H](Sc1nc(N)c(C#N)cc1C#N)c1cn(-c2ccccc2)nn1 84667507 KCBLJTPTUQAERI-NSHDSACASA-N 347.407 2.841 30 40 EFEB CCOC[C@@]1(C#N)[C@H](c2cccc(Cl)c2)[C@@H]1S(=O)(=O)CC 218388331 FIHVIQPACHMBLS-ILXRZTDVSA-N 327.833 2.787 30 40 EFEB N#Cc1cccc(CS(=O)(=O)NC2(c3cccc(F)c3)CC2)c1 96417534 SLPSILHLHYAZSG-UHFFFAOYSA-N 330.384 2.806 30 40 EFEB N#Cc1cc(N[C@H]2CCCC[C@H]2N2CCOCC2)ccc1[N+](=O)[O-] 96503211 UWPAXIVQYQPGCQ-DOTOQJQBSA-N 330.388 2.522 30 40 EFEB C=CCOC[C@@H]1CC[C@@H]2[C@H]1OCCN2C(=O)c1ccc(N(C)C)cc1 248022711 FYAASBBEWCZAIR-UHOSZYNNSA-N 344.455 2.575 30 40 EFEB CC(C)Oc1ccc(C(=O)CSc2ncc(C#N)c(N)n2)cc1 69488031 HVIOXGADRJJZFF-UHFFFAOYSA-N 328.397 2.693 30 40 EFEB C#C[C@]1(O)CC[C@H]2[C@@H]3C[C@@H](O)C4=CC(=O)CC[C@@H]4[C@H]3CC[C@@]21CC 65742827 LUDPEOWAWHAHEP-JUYLZWBTSA-N 328.452 2.853 30 40 EFEB in-vitro COc1ccc(OCCSCC(=O)N[C@@](C)(C#N)C2CC2)cc1 50250259 IGBUKJXEAHFWOV-KRWDZBQOSA-N 334.441 2.616 30 40 EFEB Cc1csc(N(C)C(=O)C2CCN(c3ccc(C#N)cn3)CC2)n1 40548838 LISSWFDIFKGDFO-UHFFFAOYSA-N 341.440 2.598 30 40 EFEB C[C@H](c1nc(C2CC2)no1)N1CCN(c2cccc(F)c2C#N)CC1 51180221 JHXPLRHHHACATR-GFCCVEGCSA-N 341.390 2.841 30 40 EFEB N#C[C@@H]1[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@H]2[C@H]2c3ccccc3C=CN12 101359777 VXVQJUHZEAPXAM-FCGDIQPGSA-N 341.370 2.726 30 40 EFEB CC1(C)CC(=O)C2=C(C1)Nc1[nH]c(N)nc(=O)c1[C@@H]2c1ccccc1 9332544 ZGUPBZGPQOZDOW-CYBMUJFWSA-N 336.395 2.553 30 40 EFEB N#C[C@H](C(=O)Cc1coc(-c2ccccc2)n1)C(=O)Nc1ccccn1 103717525 ODDILMIIGAHQNH-OAHLLOKOSA-N 346.346 2.627 30 40 EFEB N#C[C@H](C(=O)CCCOc1cccc(F)c1)C(=O)Nc1ccccn1 104055563 ZKRSUHAQFWGQJS-OAHLLOKOSA-N 341.342 2.727 30 40 EFEB CN(Cc1ccc(C#N)cc1)C(=O)c1ccc(C(F)(F)F)nc1O 25118469 DYIYCHAXUVHQLS-UHFFFAOYSA-N 335.285 2.950 30 40 EFEB C=CCNC(=O)[C@H](C)Nc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1 56177766 DLSXRQHDSDBUKT-IHRRRGAJSA-N 335.423 2.542 30 40 EFEB C=CCNc1nc(C(=O)O[C@H](C)C(=O)N2CCC(C)CC2)cs1 10134853 XJFBSOLAUUFCHR-GFCCVEGCSA-N 337.445 2.545 30 40 EFEB N#CCN(Cc1nnc(-c2ccccc2Br)o1)C1CC1 58406869 AGQBIGWIJLHCNQ-UHFFFAOYSA-N 333.189 2.987 30 40 EFEB N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)c2ccccc2F)CC1 14165546 ZVYDRVMZPKWOBL-SFHVURJKSA-N 341.361 2.987 30 40 EFEB O=C(COc1ccc(/C=N\c2ccccc2F)cc1)N1CCOCC1 409229496 PYCLSDGNJQJOID-BKUYFWCQSA-N 342.370 2.814 30 40 EFEB COC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1cccc(C#N)c1 6649623 RVGMKWYLJHNFPP-SFHVURJKSA-N 347.374 2.554 30 40 EFEB N#Cc1c(NC(=O)CSc2nccc(O)n2)sc2c1CCCC2 9143455 LRIAIWMMKZXESG-UHFFFAOYSA-N 346.437 2.725 30 40 EFEB CC(=O)N1CCC[C@H]1[C@@H]1CCCN1Cc1cn2ccccc2c1C#N 71880921 ITDUWOIOHTYXTD-PMACEKPBSA-N 336.439 2.786 30 40 EFEB CC(C)(C(=O)O)c1ccc(NS(=O)(=O)c2cccc(C#N)c2)cc1 71916514 BUJHGRPHBFEAMW-UHFFFAOYSA-N 344.392 2.721 30 40 EFEB C[C@@H]1CCCC[C@H]1OCCNc1ncnc2c1cnn2CCC#N 97200185 YKCAJAFPBBPXLP-UKRRQHHQSA-N 328.420 2.747 30 40 EFEB N#Cc1ccc(OCC(=O)N2CCC[C@@H]2c2noc(C3CC3)n2)cc1 84383963 BTVMRGWWHLIOLY-OAHLLOKOSA-N 338.367 2.561 30 40 EFEB O=C(CSCc1coc(-c2ccccc2)n1)/N=C1/NCCS1 78940116 JRBRDPAICMKUHF-UHFFFAOYSA-N 333.438 2.794 30 40 EFEB CN(CCOc1cccc(C#N)c1)C(=O)c1cccc(-n2cccn2)c1 95397978 VRZSSAVXSGOJTL-UHFFFAOYSA-N 346.390 2.895 30 40 EFEB Cc1ccc([C@@H]2[C@@H](S(=O)(=O)c3ccccc3)[C@@]2(C#N)C=O)cc1 225657583 SZDNNPGDLFEIKU-KURKYZTESA-N 325.389 2.644 30 40 EFEB CC[C@@H](C)CCC(=O)Nc1sc2c(c1C#N)CCS(=O)(=O)C2 585124693 NCTLBOOJYITWLD-SNVBAGLBSA-N 340.470 2.855 30 40 EFEB Cc1ccc2[nH]cc(C#N)c(=NC[C@@H]3CCO[C@H]3c3cnn(C)c3)c2c1 591193115 KPCNIRZUSAPJAI-VBKZILBWSA-N 347.422 2.760 30 40 EFEB CC(C)(C)OC(=O)N1CCN(Cc2ccc(OCC#N)cc2)CC1 65521664 DTIINFOOCQCGLS-UHFFFAOYSA-N 331.416 2.642 30 40 EFEB Cn1cc(-c2ncccc2CNC(=O)CCc2ccc(C#N)cc2)cn1 575618937 ROIMQMIJYZVJCQ-UHFFFAOYSA-N 345.406 2.603 30 40 EFEB Cc1nc(C)c(C(=O)/C=C2\Nc3ccc([N+](=O)[O-])cc3OC2=O)s1 100147122 SCCXTAWGPIARGU-WDZFZDKYSA-N 345.336 2.766 30 40 EFEB C/C(=C1/C(=O)C[C@@H]2[C@H]1C2(C)C)N1C[C@@H]2C[C@@H](C1)c1cccc(=O)n1C2 100744019 HHVSHINZGPPWNV-WQQBLDSTSA-N 338.451 2.786 30 40 EFEB biogenic CCOC(=O)C1=C(C)N/C(=C/c2cccc(Br)c2)C1=O 89773 BTLFOLYMBPNNNA-XYOKQWHBSA-N 336.185 2.799 30 40 EFEB O=c1c2c3c(sc2ncn1/N=C\c1ccccc1O)CCCC3 192589 GOKUSVIQUCOLNR-OCKHKDLRSA-N 325.393 2.925 30 40 EFEB C=C(C)CNC(=O)N[C@@H](C)c1cc(F)ccc1N1CCN(C)CC1 119065819 AJMQKFLERGCDKC-AWEZNQCLSA-N 334.439 2.514 30 40 EFEB COCc1c(C#N)c(O)nc(/C=C/c2ccc(OC)cc2)c1[N+](=O)[O-] 13945831 QDWSXKLITUKIIR-VMPITWQZSA-N 341.323 2.892 30 40 EFEB CC(C)(C)OC(=O)NCCC(=O)N[C@@H](C#N)c1cccc(Cl)c1 69970035 KHIPDNMEOPDFQS-ZDUSSCGKSA-N 337.807 2.936 30 40 EFEB O=S(=O)(N/N=C1/C[C@@H]2C=CC[C@H]12)c1ccc(Br)cc1 5675238 WHAKSTRHLYVUCR-BTCRKOMKSA-N 341.230 2.679 30 40 EFEB COc1cc(/C=C2/Oc3cc(O)ccc3C2=O)c([N+](=O)[O-])cc1OC 96920998 SYHQIVYKVQYSOQ-OMCISZLKSA-N 343.291 2.934 30 40 EFEB N#C[C@@H](NC(=O)CCCOc1cccnc1)c1ccc(F)cc1F 96430916 UXIAIOWGGNDGJO-MRXNPFEDSA-N 331.322 2.900 30 40 EFEB Cc1cc([C@@H]2CCCN2C(=O)[C@H](C)Oc2cccc(C#N)c2)on1 71827040 RWQZSWSEKKYPTA-BBRMVZONSA-N 325.368 2.986 30 40 EFEB N#Cc1ccc(CN2CCCC[C@H]2CC(N)=O)c(Br)c1 97232394 BTLRTEKKBBAFLT-ZDUSSCGKSA-N 336.233 2.551 30 40 EFEB CN(CC(=O)Nc1cccc(F)c1)c1ccc([N+](=O)[O-])c(C#N)c1 95944263 TXGDGLFZFDEASD-UHFFFAOYSA-N 328.303 2.680 30 40 EFEB COc1ccc(C(=O)N2CCCN(Cc3ccc(C#N)o3)CC2)cc1 95982832 NPGLSSMJSWSNAQ-UHFFFAOYSA-N 339.395 2.508 30 40 EFEB COc1ccc(C)cc1/C=C/C(O)=N/S(=O)(=O)c1cccnc1 42322754 HRCZJWVTISWUPD-SOFGYWHQSA-N 332.381 2.757 30 40 EFEB CN(Cc1ccc(C#N)cc1)[C@@H]1CCN(c2sccc2C#N)C1=O 83168411 IUCZEOIILFMCOS-MRXNPFEDSA-N 336.420 2.729 30 40 EFEB N#Cc1cccc(N[C@@H]2CO[C@@]3(CCCN(Cc4ccoc4)C3)C2)n1 96048307 MLLXNQVDFDOQNK-HKUYNNGSSA-N 338.411 2.782 30 40 EFEB C=CCn1c2c(ccc1=O)C[C@H](NC(=O)c1cccc(Cl)c1)CC2 96260658 SYXMXMMYRSGVQY-MRXNPFEDSA-N 342.826 2.975 30 40 EFEB COC(=O)c1ccc(NC(=O)NCc2cccc(C#N)c2)cc1OC 390835091 CIAJKPCAMAAVGL-UHFFFAOYSA-N 339.351 2.675 30 40 EFEB CC/N=C1\NC(=O)[C@@H](CC(=O)Nc2cc(Cl)ccc2Cl)S1 16577112 SBHZUGFZEWOPJZ-SNVBAGLBSA-N 346.239 2.930 30 40 EFEB NC(N)=Nc1nc(-c2ccc(Br)cc2)c2ccccc2n1 6231366 UMYMYUCFEFJSEG-UHFFFAOYSA-N 342.200 2.964 30 40 EFEB C=CCNS(=O)(=O)c1ccc(C(=O)Nc2ccccc2CC)cc1 32904911 KRRKMXPPCNRLPV-UHFFFAOYSA-N 344.436 2.966 30 40 EFEB N#CCN1CCC(CNC(=O)CCCOc2ccc(Cl)cc2)CC1 76042137 GWYZEQUEZBEINX-UHFFFAOYSA-N 349.862 2.851 30 40 EFEB Cc1noc(C)c1CSCC(=O)N(CCC#N)Cc1cccnc1 58311495 SRXCBBWCWRRMLG-UHFFFAOYSA-N 344.440 2.862 30 40 EFEB C=CCNC(=O)CSc1nnc(C2CC2)n1Cc1ccccc1 8316746 UFKNUEMBXXQRMU-UHFFFAOYSA-N 328.441 2.598 30 40 EFEB N#CC1(NC(=O)Cc2cccc(Cl)c2)CCC2(CC1)OCCO2 69893444 XFHPWBVGHNHEJI-UHFFFAOYSA-N 334.803 2.578 30 40 EFEB Cc1cccnc1CN/C(=N/CCc1cccnc1)NCc1ccco1 95405737 JOPRSPINECPSRM-UHFFFAOYSA-N 349.438 2.856 30 40 EFEB COc1ccccc1[C@H](C)CC(=O)[C@H](C#N)C(=O)NC1CCCC1 78411109 OLQJXASKFNIIMB-CJNGLKHVSA-N 328.412 2.956 30 40 EFEB O=C1/C(=N\Nc2ccccn2)c2cc(F)cc(F)c2N1C1CSC1 223750337 DTQTUFSBBQCHKW-STZFKDTASA-N 346.362 2.638 30 40 EFEB COCCOc1ccc(C(=O)/C=C/c2nc(C)c(C)[nH]2)cc1OC 585136230 XGPAGSYYINLLAJ-SOFGYWHQSA-N 330.384 2.956 30 40 EFEB Cc1ncsc1C(=O)N1CCC[C@@H](COc2cc(C#N)ccn2)C1 1775996063 SQGBLMIQNCGCOU-CQSZACIVSA-N 342.424 2.649 30 40 EFEB N#C[C@@H](C(=O)c1ccc(OC(F)(F)F)cc1)C(=O)N1CCCC1 103502665 SOHRYLFWFCFVOC-LBPRGKRZSA-N 326.274 2.530 30 40 EFEB C/C(=N\Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccc(O)cc1O 100034956 AXYZBIJYZKKFRR-OVCLIPMQSA-N 332.272 2.750 30 40 EFEB CC(C)=N/N=c1/[nH]c(-c2ccc(N3C(=O)CCC3=O)cc2)cs1 37858793 WHSGRBCODMWCOM-UHFFFAOYSA-N 328.397 2.693 30 40 EFEB C=C(Br)CNC(=O)Nc1cc(NC(C)=O)c(F)cc1F 49358900 KSBZPXGNIFBFIM-UHFFFAOYSA-N 348.147 2.953 30 40 EFEB CN(C)c1ccc(/C=N/Nc2ccc3nnc(C(F)(F)F)n3n2)cc1 4180990 FTQQUTWCNYZNLU-DJKKODMXSA-N 349.320 2.655 30 40 EFEB C=CCNS(=O)(=O)Cc1ccc(NC(=O)c2ccc(CC)o2)cc1 69559465 WJROLTIVWJJJLI-UHFFFAOYSA-N 348.424 2.700 30 40 EFEB C[C@H]1CN(C)CCN1C(=O)/C=C/c1cn(CCC#N)c2ccccc12 89937774 ZBFFLDJLYHIMLJ-FDMDGMSGSA-N 336.439 2.731 30 40 EFEB N#Cc1c(F)cccc1N1CCN(C(=O)N[C@H]2CC=CCC2)CC1 77639509 BQQRNVRWGCGPPQ-AWEZNQCLSA-N 328.391 2.638 30 40 EFEB C[C@@H]1CC[C@H](CCC(=O)NC2CCN(c3ccc(C#N)cc3)CC2)O1 95962350 RTRGVDVJRSEEBO-DNVCBOLYSA-N 341.455 2.991 30 40 EFEB CC(C)C[C@H](C(=O)NCc1ccc(C#N)cc1F)N1CCCCC1=O 79069902 QTCOISVOHKXQPS-QGZVFWFLSA-N 345.418 2.741 30 40 EFEB CC1=NOC(=O)/C1=C\c1cc(Cl)c(OCC(=O)O)c(Cl)c1 409084329 VELQUKMJMMOXRL-WAPJZHGLSA-N 330.123 2.773 30 40 EFEB CCOC(=O)N1CCN(c2nsc(-c3ccccc3)c2C#N)CC1 46087925 JTLVOZUWDWPHSY-UHFFFAOYSA-N 342.424 2.960 30 40 EFEB C#Cc1cccc(N(C)C(=O)c2cc(N3C[C@H](C)O[C@H](C)C3)ccn2)c1 194585160 USZKRCIIHRMQOX-IYBDPMFKSA-N 349.434 2.953 30 40 EFEB C#C[C@@](C)(CC)NC(=O)CCCc1nc(-c2ccc(OC)cc2)no1 585110287 VGDLXOKZFLESMV-IBGZPJMESA-N 341.411 2.986 30 40 EFEB Cc1csc(N2CCN(c3snc(Cl)c3C#N)CC2)n1 48558829 SVJQAWZXPDQSNN-UHFFFAOYSA-N 325.850 2.760 30 40 EFEB COC(=O)c1ccc(NC(=S)N/N=C/c2ccccc2F)cc1 138573 HXQYHVMJORPBJS-VCHYOVAHSA-N 331.372 2.933 30 40 EFEB O=C(COc1ccccc1)/N=C1\N=C2N=CC=CN2Cc2ccccc21 15634788 NCVQONLSLCPZGT-QOCHGBHMSA-N 344.374 2.809 30 40 EFEB O=C1Nc2cc([N+](=O)[O-])ccc2N/C1=C/C(=O)c1ccc(F)cc1 104237956 AVHZKZLHOGKILJ-RIYZIHGNSA-N 327.271 2.865 30 40 EFEB C[C@@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)N1CCO[C@H](C)C1 25837459 GHNWWUNIOSHBCO-OLZOCXBDSA-N 347.484 2.936 30 40 EFEB N#Cc1cc[n+](CC(=O)c2ccc(NC(=O)c3ccccc3)cc2)cc1 1884668 OHEZMUDSQAIWRE-UHFFFAOYSA-O 342.378 2.981 30 40 EFEB CCOc1cc(C=C2C(=O)CC(C)(C)CC2=O)ccc1OCC(=O)O 408994698 ZRPHOWWVMTWEJX-UHFFFAOYSA-N 346.379 2.890 30 40 EFEB C=CCNC(=O)Nc1ccc(N2CCOCC2)cc1C(F)(F)F 48428352 RUKWRPIFBDHVMQ-UHFFFAOYSA-N 329.322 2.850 30 40 EFEB C[C@@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)c1ccc(C#N)cc1 8349356 ZRMISRPNSGJVGK-AWEZNQCLSA-N 331.379 2.972 30 40 EFEB CCOc1cc(/C=C2/SC(=S)N(C)C2=O)ccc1OCC#N 409331551 NRSPUWQRWOQHDY-UKTHLTGXSA-N 334.422 2.819 30 40 EFEB CCC(=O)N1CCC[C@H](C(=O)[C@@H](C#N)c2nc3ccccc3o2)C1 71803550 HIVOSVFBJRDTCM-QWHCGFSZSA-N 325.368 2.653 30 40 EFEB COC/C(O)=N/S(=O)(=O)c1ccc(OCc2cccc(C)c2)cc1 71886806 QBQJBLRLYKPXAX-UHFFFAOYSA-N 349.408 2.866 30 40 EFEB C/N=C(\NCc1ccco1)NC[C@H]1CCN(c2ccc(F)c(F)c2)C1 75582775 IWLZUHPFSDIDFE-CYBMUJFWSA-N 348.397 2.749 30 40 EFEB Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N(C)Cc1cccc(F)c1 9689995 CZAOODBZFSAIIY-UHFFFAOYSA-N 341.386 2.594 30 40 EFEB CNC(=O)COc1ccc(OCc2cn3ccccc3c2C#N)cc1 96447947 QKADMUNZWPCXNA-UHFFFAOYSA-N 335.363 2.515 30 40 EFEB Cc1ccccc1NC1CCN(CC(=O)N[C@](C)(C#N)C(C)C)CC1 58378309 VUWYJFULQOARMT-HXUWFJFHSA-N 342.487 2.926 30 40 EFEB CCn1cnnc1[C@H]1CCCN(C(=O)Nc2ccc(F)c(C#N)c2)C1 96492167 JYUOJJXWVBPMAF-LBPRGKRZSA-N 342.378 2.720 30 40 EFEB CN(Cc1ccc(F)cc1)C(=O)CN(CC#N)Cc1ccccc1 69491345 PNVGPLRCTMAGRM-UHFFFAOYSA-N 325.387 2.810 30 40 EFEB Cc1nc(C(=O)N2CCC[C@@H]2c2ccc3c(c2)OCO3)ccc1C#N 77329334 GGWNLJHRFIROLH-MRXNPFEDSA-N 335.363 2.968 30 40 EFEB CC(C)c1nc(CN2CCN(c3cccc(F)c3C#N)CC2)no1 58195645 XHYHLDNOGUWHDM-UHFFFAOYSA-N 329.379 2.526 30 40 EFEB C=CCCO[C@@H](C)C(=O)NCc1ccc(OC[C@H]2CCCO2)cc1 58282435 CGXNKSNLURKCNC-MAUKXSAKSA-N 333.428 2.842 30 40 EFEB COc1ccc(-c2nn(CCC#N)cc2/C=C/C(=O)O)cc1OC 3355969 DHZREDITWWUIPL-FNORWQNLSA-N 327.340 2.579 30 40 EFEB CCc1sc(C(=O)N2CCN(c3ccc(C#N)cn3)CC2)cc1C 71820121 BQPJQPSSNKVRMI-UHFFFAOYSA-N 340.452 2.848 30 40 EFEB COc1ccc(S(=O)(=O)/N=C(\O)C2CCCCC2)cc1OC 95385803 SGTDZOWCZZJFBJ-UHFFFAOYSA-N 327.402 2.929 30 40 EFEB Cc1ccccc1[C@@H]1C[C@H]1C(=O)N1CCN(c2ccc(C#N)cn2)CC1 95400024 VWAHGWWARAHSTQ-RBUKOAKNSA-N 346.434 2.714 30 40 EFEB CC(=O)N1CCC[C@H]1C(=O)N[C@H](C#N)c1ccc(C(C)(C)C)cc1 95453850 NGGKACAXWDIUTP-SJORKVTESA-N 327.428 2.676 30 40 EFEB CC(C)(C#N)c1ccc(NC(=O)N[C@H]2CCO[C@@]3(CCOC3)C2)cc1 95458153 PEVWHBKBHIAQLI-LPHOPBHVSA-N 343.427 2.947 30 40 EFEB N#C[C@]1(C=O)[C@H](c2ccccc2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 218054831 LAOQKYXEDYTYNM-IKGGRYGDSA-N 345.807 2.989 30 40 EFEB CC(C)[C@](C)(C#N)NC(=O)CN(Cc1ccco1)Cc1ccco1 7726416 XIRFTJATLREKQR-SFHVURJKSA-N 329.400 2.929 30 40 EFEB N#Cc1c(NC(=O)[C@@H]2[C@@H]3C=C[C@@H](CC3)[C@@H]2C(=O)O)sc2c1CCC2 35898084 OZJNFSGUQNDZEB-MMDVMMEASA-N 342.420 2.960 30 40 EFEB N#C[C@@]1(N)[C@@H](S(=O)(=O)c2ccccc2)[C@@H]1c1cccc(Cl)c1 218428026 AOZAZCCRJDQADV-JYJNAYRXSA-N 332.812 2.501 30 40 EFEB CC(=O)Oc1ccc(NC(=O)C(C)(C)Br)cc1C#N 225787055 HCQOGWMYQFUVJM-UHFFFAOYSA-N 325.162 2.596 30 40 EFEB N#Cc1ccc(F)c(COC(=O)[C@@H]2CCCN2C(=O)c2ccco2)c1 96452605 UPYWAGRKLWPERP-HNNXBMFYSA-N 342.326 2.638 30 40 EFEB CSC[C@@H]1CCN(S(=O)(=O)c2ccc(Cl)cc2C#N)C1 96428188 VXZIZHUEWLTMBH-SNVBAGLBSA-N 330.862 2.585 30 40 EFEB Cc1[nH]c2ccccc2c1C=NN1C(=O)[C@H]2[C@H]3C=C[C@@H]([C@H]4C[C@H]43)[C@H]2C1=O 245226683 IKZCSAPFNLJAJB-AQPSJQEXSA-N 345.402 2.863 30 40 EFEB COCCN1CCC[C@]12CCCN(C(=O)c1ccccc1C#N)CC2 585100674 SGJYNWSBHZXXBW-FQEVSTJZSA-N 341.455 2.665 30 40 EFEB N#Cc1cc(Br)ccc1NCCCO[C@H]1CCOC1 96008513 SRLRIHICTAQGBZ-ZDUSSCGKSA-N 325.206 2.928 30 40 EFEB CCOC1(NC(=O)c2ccc([N+](=O)[O-])cc2)C(C)=CC(=O)C=C1C 16807550 VTOWDRGXMFCMQY-UHFFFAOYSA-N 330.340 2.533 30 40 EFEB O=C[C@@H]1O[C@H](c2ccccc2)O[C@@H]2CO[C@@H](c3ccccc3)O[C@@H]12 4529598 FGRMUZCQGRXUEH-APAFKAMOSA-N 326.348 2.782 30 40 EFEB CC1=CC(=O)C[C@H]2[C@]3(C[C@H](c4ccoc4)OC3=O)[C@@H](C)CC[C@]12O 253389877 DLHZVTVUHATYAU-PFUBOCAFSA-N 330.380 2.950 30 40 EFEB biogenic,in-vitro O=C1[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@H]34)[C@@H]2C(=O)N1/N=C\c1ccc(Cl)cc1 100199797 RJMHKOAACSZNAE-ZZGPOESUSA-N 326.783 2.727 30 40 EFEB C[C@H](Oc1ccc(C#N)cc1)C(=O)Nc1cccc(C(=O)NC2CC2)c1 12999912 RKSCOOABEBQXSI-ZDUSSCGKSA-N 349.390 2.856 30 40 EFEB C=CCNC(=O)C1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1 8704122 UNQGNTVXYAXPCD-UHFFFAOYSA-N 340.345 2.860 30 40 EFEB COc1ccc2c(c1)CCCN2S(=O)(=O)c1ccc(C#N)cc1 14238770 OHNIDIRKESOJMC-UHFFFAOYSA-N 328.393 2.708 30 40 EFEB COc1ccc([C@@H]2[C@H](C#N)C(=O)Nc3nc4ccccc4n32)c(OC)c1 20637915 SHZXKWSYNGGRKN-SUMWQHHRSA-N 348.362 2.735 30 40 EFEB O=C1CC(c2ccc(F)cc2)CC(=O)C1=C1N[C@H]2CCCC[C@H]2N1 9287811 GFXFPROGWMTONJ-LQDVMPOASA-N 328.387 2.557 30 40 EFEB N#Cc1cc([N+](=O)[O-])ccc1N1CCN(C(=O)CC2CCCC2)CC1 29528950 CKAGCGUWQISFIJ-UHFFFAOYSA-N 342.399 2.695 30 40 EFEB N#CC1(NC(=O)CNc2cc(CO)ccc2Cl)CCCCCC1 69484192 BXUCYWPDZKHMPV-UHFFFAOYSA-N 335.835 2.977 30 40 EFEB COc1c([C@H]2CCCN2CCOc2ccc(C#N)cc2)c(C)nn1C 72253650 YGQDVFNMTFOONW-QGZVFWFLSA-N 340.427 2.825 30 40 EFEB N#CCS(=O)(=O)N(Cc1ccccc1F)C1Cc2ccccc2C1 95439671 RQAYOIGFFGNSOL-UHFFFAOYSA-N 344.411 2.648 30 40 EFEB C/N=C(\NCc1c(C)noc1C)NCC1(c2ccc(OC)cc2)CC1 95975114 HWLIEOQLKJRIHI-UHFFFAOYSA-N 342.443 2.697 30 40 EFEB Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1S(=O)(=O)CCCC#N 195568045 DSTJHTJXPCNJJC-UHFFFAOYSA-N 346.456 2.857 30 40 EFEB C[C](CS(C)(=O)=O)n1ccc2c(C(F)(F)F)c(C#N)ccc21 1560403773 XHBHVZLNZHAKNU-UHFFFAOYSA-N 329.323 2.976 30 40 EFEB N#Cc1cccc(CN2C[C@H](O)C[C@H]2c2nc(-c3ccccc3)no2)c1 15674079 RHMMLRBJEDFCDE-MSOLQXFVSA-N 346.390 2.916 30 40 EFEB biogenic,in-vitro N#Cc1nccnc1O[C@H]1CCCN(C(=O)c2ccc3cc[nH]c3c2)C1 225484641 QYRQXJIBANLCNY-HNNXBMFYSA-N 347.378 2.513 30 40 EFEB CC1(C)CC(=O)C2=C(C1)Nc1ncnn1[C@@H]2c1ccccc1[N+](=O)[O-] 18249677 HSJGGAYRQSYATN-OAHLLOKOSA-N 339.355 2.844 30 40 EFEB CCOC(=O)c1nn(-c2ccc(C)c(Cl)c2)c(=O)c(C#N)c1C 98765 YWEGFRDECWSMHF-UHFFFAOYSA-N 331.759 2.551 30 40 EFEB N#Cc1ccc(NC[C@@H](c2ccc(F)cc2)N2CCOCC2)nc1 40480092 LKOMNUAAMRNBAD-KRWDZBQOSA-N 326.375 2.578 30 40 EFEB CC#C[C@@H]1[C@]2(C)[C@@]3(Br)[C@H](CC)[C@@]1(C)S(=O)(=O)[C@]23C 101377262 IZMOMVHASBKFLY-WZBKEBKWSA-N 331.275 2.765 30 40 EFEB Cc1ccc(S(=O)(=O)O[C@H](C)C(=O)OCc2ccccc2)cc1 2557967 VTIDIAIZOPXIFZ-CQSZACIVSA-N 334.393 2.832 30 40 EFEB CCCOc1ccc([C@@H]2C(C(C)=O)=C(C)Nc3ncnn32)cc1OC 4342112 LXHYRPAVWLGILJ-QGZVFWFLSA-N 342.399 2.953 30 40 EFEB COC(=O)c1ccc(Cn2cc(C#N)c(=O)c3cc(Cl)ccc32)o1 103262260 PKQLMFUEFGCHQQ-UHFFFAOYSA-N 342.738 2.954 30 40 EFEB CN1N=C(c2ccc(S(C)(=O)=O)cc2)C[C@@H]1c1cccc(C#N)c1 58167390 AQPMJTBWLUJVJY-GOSISDBHSA-N 339.420 2.743 30 40 EFEB N#Cc1ccc(N2CCC(C(=O)NCCc3cccs3)CC2)nc1 44894290 WAYXBJYHEAYWSM-UHFFFAOYSA-N 340.452 2.590 30 40 EFEB C=CCN(C(=O)c1ccnc(-n2cncn2)c1)[C@H]1CCc2ccccc21 58327887 INOJPNIJJCGKGB-SFHVURJKSA-N 345.406 2.978 30 40 EFEB O/C(=N\c1nc(-c2ccccn2)n[nH]1)[C@H]1CC(c2ccccc2)=NO1 58407209 IOZODTNLMXBOAG-CQSZACIVSA-N 334.339 2.648 30 40 EFEB CC(C)OCCC(=O)N[C@@H](C#N)c1cccc(Br)c1 69483906 MAKXSYCSLWXFCD-ZDUSSCGKSA-N 325.206 2.945 30 40 EFEB C#Cc1cccc(NC(=O)NCCOc2cccc(NC(C)=O)c2)c1 69631168 HCFVTTJVTZVBKL-UHFFFAOYSA-N 337.379 2.827 30 40 EFEB CN(CC(=O)Nc1cccc(F)c1)c1ccc(C#N)cc1[N+](=O)[O-] 8718878 QGCZSRPMJZCSJP-UHFFFAOYSA-N 328.303 2.680 30 40 EFEB CN(C)[C@H](CNc1ccc(Br)cc1C#N)c1cnn(C)c1 96008469 XGZMHRRSEQXNTI-OAHLLOKOSA-N 348.248 2.769 30 40 EFEB N#C[C@@]1(NC(=O)CCc2cc(Br)cs2)CCSC1 78656075 ZMXXKCNIZBABJW-LBPRGKRZSA-N 345.287 2.959 30 40 EFEB Cn1ccnc1-c1cccc(NS(=O)(=O)c2ccc(C#N)cc2)c1 78715162 NVPHHZUPIXPBHH-UHFFFAOYSA-N 338.392 2.760 30 40 EFEB C#Cc1cccc(N(Cc2ccco2)C(=O)Cn2nnnc2C(C)C)c1 78971349 CXHRWOLRAIXFQG-UHFFFAOYSA-N 349.394 2.604 30 40 EFEB N#Cc1ccc(C(=O)N2CCC[C@@H]2c2nc(-c3ccccc3)n[nH]2)nc1 95448238 JULILRLGAOHRRI-MRXNPFEDSA-N 344.378 2.716 30 40 EFEB N#Cc1ccc(NS(=O)(=O)c2cnn(Cc3ccccc3)c2)cc1 79321173 DEGWWLBUKDPECD-UHFFFAOYSA-N 338.392 2.604 30 40 EFEB CCCS(=O)(=O)N1CCC(Nc2ccc(C#N)c(Cl)c2)CC1 78875804 ZDLKFAUKUUNKIL-UHFFFAOYSA-N 341.864 2.828 30 40 EFEB O=[N+]([O-])c1ccc(O)cc1/C=N/c1ccc(N2CCOCC2)cc1 35406216 QIQOYWYJWFARMF-LDADJPATSA-N 327.340 2.888 30 40 EFEB CCc1nsc(N2CCN(c3ccc(C#N)cc3Cl)CC2)n1 570271320 UYBQOMMENWRURG-UHFFFAOYSA-N 333.848 2.952 30 40 EFEB CC/C=C(\C)C(=O)[C@H](C#N)c1ccc(S(=O)(=O)N(CC)CC)cn1 98009506 ZSYHBMJBMCVBNY-XETPBLJFSA-N 349.456 2.645 30 40 EFEB N#Cc1cccc(CN2CCc3ncnc(NC4CCC4)c3CC2)c1 96255757 HUQYOMTWMPCUHG-UHFFFAOYSA-N 333.439 2.913 30 40 EFEB COc1ccccc1CN(C)C(=O)CNc1ccc(F)c(C#N)c1 96453567 KNLFFUZIIVTTMM-UHFFFAOYSA-N 327.359 2.776 30 40 EFEB C=CCN1CCC[C@@]12CCCN(S(=O)(=O)Cc1ccc(C)cc1)C2 96214823 YQDLQKHGLPBDGG-IBGZPJMESA-N 348.512 2.941 30 40 EFEB N#Cc1ccc(S(=O)(=O)CCn2cnc3cc(F)c(F)cc32)cc1 96450098 MWJIHALQNBYWJI-UHFFFAOYSA-N 347.346 2.660 30 40 EFEB CN(Cc1nnc2n1CCC[C@@H]2C(F)(F)F)c1ccc(C#N)cn1 1615003636 ZQBUEPFFEPMDMS-NSHDSACASA-N 336.321 2.621 30 40 EFEB CC(C)(C)c1ccc(N2C[C@@H]3CN(c4ccc(C#N)nc4)C[C@H]3C2)nn1 1888857099 MAFDIRCBNDDBIC-GJZGRUSLSA-N 348.454 2.613 30 40 EFEB CC(=O)C1=C(C)Nc2ncnn2[C@H]1c1cccc(Br)c1 13123142 XUWHRJMYXYBZOK-ZDUSSCGKSA-N 333.189 2.919 30 40 EFEB COc1ccc(OCCSCC(=O)NC2(C#N)CCCC2)cc1 50249910 IWVWOJQIMZBDGB-UHFFFAOYSA-N 334.441 2.760 30 40 EFEB O=C(C[n+]1cccc(C(=O)NCc2ccccc2)c1)c1ccccc1 1836137 UYZWQHBEHUDLRC-UHFFFAOYSA-O 331.395 2.787 30 40 EFEB N/C(=N/OCC(=O)Nc1cc(F)cc(F)c1)c1ccc(Cl)cc1 11038476 VAKKGKRYMFARCP-UHFFFAOYSA-N 339.729 2.894 30 40 EFEB N#Cc1cccc(S(=O)(=O)Nc2cc([N+](=O)[O-])c(F)cc2F)c1 13019934 POACMSXKQNGVHB-UHFFFAOYSA-N 339.279 2.545 30 40 EFEB N#Cc1cccc(NC(=O)[C@H]2CCCN2C(=O)OCC(F)(F)F)c1 65537891 URKNAXPGYNEPOA-GFCCVEGCSA-N 341.289 2.660 30 40 EFEB C[C@@]1(c2ccccc2)NC(=O)N(Cc2ccc(OCC#N)cc2)C1=O 65548353 NUHHDWYPHPTNML-IBGZPJMESA-N 335.363 2.556 30 40 EFEB COc1ccccc1/C=C1\Oc2cc(OS(C)(=O)=O)ccc2C1=O 9420299 QDYHWLHYAINSDL-SXGWCWSVSA-N 346.360 2.650 30 40 EFEB CN(CC(=O)NCC(C)(C)c1ccccc1F)c1ccc(C#N)cn1 69419338 TXEPNOSDGABNGO-UHFFFAOYSA-N 340.402 2.623 30 40 EFEB C[C@H](Oc1ccc(F)cc1Cl)C(=O)N[C@@]1(C#N)CCSC1 79045121 VFLIKWNXRMOYHG-LKFCYVNXSA-N 328.796 2.762 30 40 EFEB CCOCCC/N=C(/NCc1nc(C2CC2)no1)N1CCC[C@@H](C)C1 72892244 FBBRTQIYFXQTLB-CQSZACIVSA-N 349.479 2.551 30 40 EFEB CC(=O)N1CC[C@H](NCc2cccc(OCCCC#N)c2)[C@@H](C)C1 89937570 OOEVSGOUOVRPFU-KXBFYZLASA-N 329.444 2.716 30 40 EFEB Cc1ncsc1/C=C/C(=O)c1cccc(S(=O)(=O)N(C)C)c1 78693695 FMOXZLVOPJLSAU-BQYQJAHWSA-N 336.438 2.598 30 40 EFEB C=CCN1CC[C@@H](N(C)C(=O)N[C@@H](C2CCCC2)C(F)(F)F)C1=O 281913820 JCMGVPBHPBIHHY-OLZOCXBDSA-N 347.381 2.536 30 40 EFEB C#CCCC1(CCC(=O)N[C@@H](C(=O)O)c2ccc(F)c(C)c2)N=N1 1616032018 QJZCWIOBSFCVBI-OAHLLOKOSA-N 331.347 2.732 30 40 EFEB N#Cc1c(N2C(=O)[C@H]3[C@@H]4CC[C@@H](O4)[C@@H]3C2=O)sc2c1CCCCC2 5612879 VRJFXZRIQGZEKB-NEBZKDRISA-N 342.420 2.555 30 40 EFEB C=CCCN1CCC(Cn2cnc3cc(OC)ccc3c2=O)CC1 1849465435 VVSZDWRCZMAPMI-UHFFFAOYSA-N 327.428 2.693 30 40 EFEB COCOc1ccc(B2OC(C)(C)C(C)(C)O2)c(OC(F)(F)F)c1 953037797 RJQYLZBHVOAVMF-UHFFFAOYSA-N 348.126 2.867 30 40 EFEB O=C(Nc1cccc(S(=O)(=O)/N=C2\CCCCCN2)c1)C1CCC1 7795541 YVHUXZDNFQTROQ-UHFFFAOYSA-N 349.456 2.676 30 40 EFEB C[C@@H](Sc1nc(N)c(C#N)cc1C#N)C(=O)N(C)c1ccccc1 21425411 PFWMHBRQCSFSRB-LLVKDONJSA-N 337.408 2.551 30 40 EFEB CN1C(=S)S[C@@](C)(/[N+]([O-])=C\c2ccc([N+](=O)[O-])cc2)C1(C)C 102781664 XMENNPMGTNCEDS-BRYYZUPOSA-N 339.442 2.982 30 40 EFEB C[C@H](Nc1ccc2c(c1)OCCO2)C(=O)NC1(C#N)CCCCC1 21818147 ADGDCEVZEFNGRN-ZDUSSCGKSA-N 329.400 2.601 30 40 EFEB CN1CC[C@@H](C(=O)[C@@H](C#N)c2nc(-c3ccccc3)cs2)CC1=O 41522284 VAXCDKMBTLGQLL-ZIAGYGMSSA-N 339.420 2.855 30 40 EFEB CC(NCCc1c[nH]cn1)=C1C(=O)CC(c2cccs2)CC1=O 100432890 SJIDCBRAMHIISY-UHFFFAOYSA-N 329.425 2.593 30 40 EFEB Cc1nn(CCC#N)c(C)c1CCC(=O)N1CCc2ccccc2C1 24049509 ZFYTWFAOVNTLQC-UHFFFAOYSA-N 336.439 2.931 30 40 EFEB CCOc1ccc(/C=N/N=c2\nnc3c([nH]2)[nH]c2ccccc23)cc1 1246224 ABQBSJOYEZCRCN-YBFXNURJSA-N 332.367 2.773 30 40 EFEB COc1cccc(/C=N/n2c(S)nnc2-c2ccc(F)cc2)c1O 1271244 SJRUTJNIGUJUFW-GIJQJNRQSA-N 344.371 2.969 30 40 EFEB CN1C(=S)SC(C)(C)[C@@H]1/[N+]([O-])=C/c1ccc([N+](=O)[O-])cc1 1309763 CJDCUEUQJDOLDW-LWHXSLQUSA-N 325.415 2.592 30 40 EFEB CC(C)c1noc([C@H](C)N2CCN(Cc3ccccc3C#N)CC2)n1 69385082 INRVLIMFONIHMP-HNNXBMFYSA-N 339.443 2.943 30 40 EFEB N#C[C@H](C(=O)[C@@H]1CC(c2ccccc2)=NO1)c1nc2ccccc2[nH]1 48813587 RVNZSZNUYHKOIJ-DYVFJYSZSA-N 330.347 2.932 30 40 EFEB COc1ccc(CCC(=O)N[C@@H](C#N)CC(C)C)c(OC)c1OC 69462688 WJGOGWKFNCBSTE-CQSZACIVSA-N 334.416 2.699 30 40 EFEB C/N=C(/N)SCc1nc2scc(-c3ccccc3)c2c(=O)[nH]1 7286484 SYLLGVNSCCFQJV-UHFFFAOYSA-N 330.438 2.829 30 40 EFEB C#CCOc1ccc(F)cc1NC(=O)CCn1c(C)c(C)sc1=O 72295541 VFIPDLXKGHJLKI-UHFFFAOYSA-N 348.399 2.707 30 40 EFEB N#Cc1c[nH]c(C(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)c1 78996816 GCYNBVUYZRCHDY-UHFFFAOYSA-N 348.328 2.868 30 40 EFEB COc1cc(OC)cc(OCCCN(C)c2ccc(C#N)nc2)c1 84928990 UOWLNDWWZRRXEI-UHFFFAOYSA-N 327.384 2.876 30 40 EFEB C[C@](C#N)(NC(=O)CN1CCC(c2ccc(F)cc2)CC1)C1CC1 89368584 TXPKCPDHZHKDNJ-LJQANCHMSA-N 329.419 2.814 30 40 EFEB N#Cc1cccc(CNS(=O)(=O)Cc2ccc(F)c(Cl)c2)c1 89774447 ZMQLQZSZZHAKCG-UHFFFAOYSA-N 338.791 2.970 30 40 EFEB C=CCNC(=O)[C@]1(Cc2ccccc2-c2ccsc2)CNCCO1 72389355 PEQVLTGYXYOSGZ-IBGZPJMESA-N 342.464 2.618 30 40 EFEB Cc1cccc2c(N[C@@H]3CCN(c4cnn(C)c4)C3)c(C#N)cnc12 96429528 SGPIBTXKUUKZPC-OAHLLOKOSA-N 332.411 2.839 30 40 EFEB N#CCC1CCN(C(=O)N[C@@H]2CCO[C@@H](c3cccnc3)C2)CC1 592046331 LXORQWWADSPNBV-IAGOWNOFSA-N 328.416 2.637 30 40 EFEB C=CC[C@@H](CC)NC(=O)Nc1cccc(N2CCN(C(C)=O)CC2)c1 281885716 GQCXDQUEGVMSMA-MRXNPFEDSA-N 344.459 2.831 30 40 EFEB CS[C@H]1CN(CCCOc2ccc(C#N)cc2)C[C@@H]1N1CCCC1 95941524 IXWCRHGWJUAEIF-OALUTQOASA-N 345.512 2.839 30 40 EFEB Cc1ccc([C@H](NC(=O)Cn2ccc(C)c(C#N)c2=O)C2CC2)cc1 97094726 GFWOVLPSMKOYIH-IBGZPJMESA-N 335.407 2.604 30 40 EFEB C=CCC(O)(CC=C)[C@@H]1CCCN1Cc1ccnc(N2CCCC2)n1 12240914 WBJQAQQKUDHOLV-SFHVURJKSA-N 342.487 2.925 30 40 EFEB C=C(C)CN(CC)C(=O)C(=O)Nc1ccc(-c2nccc(C)n2)cc1 154605882 AYILVFQCKYMRFF-UHFFFAOYSA-N 338.411 2.815 30 40 EFEB C/C(=N\NS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(C)cc1 4429519 YFSVTQHHCWZFMB-FOWTUZBSSA-N 333.369 2.606 30 40 EFEB C=CCN1c2ccccc2N(C(C)=O)[C@H]2C(C(=O)OCC)=C(C)O[C@H]21 1424414 NHLLPDYCNTXYSA-ZWKOTPCHSA-N 342.395 2.608 30 40 EFEB CC(=O)C1=C(C)Nc2ncnn2[C@@H]1c1cccc(Br)c1 13123141 XUWHRJMYXYBZOK-CYBMUJFWSA-N 333.189 2.919 30 40 EFEB C#CCOc1cccc(NC(=O)NC[C@@](C)(O)c2ccsc2)c1 77704419 HCVWKMNOGBHXAF-QGZVFWFLSA-N 330.409 2.789 30 40 EFEB CC/N=C1/S[C@@H](CC(=O)N[C@H](C)c2ccccc2)C(=O)N1CC 13482130 AMSMDYHRNCZFJL-KDIIBKRDSA-N 333.457 2.594 30 40 EFEB O=C(O)COc1ccc(C(=O)/C=C/c2ccc(O)c([N+](=O)[O-])c2)cc1 8703995 JJHDNEDNEKFBML-LREOWRDNSA-N 343.291 2.660 30 40 EFEB C#CCN1CCC(C(=O)N2CCO[C@@H](c3ccc(Cl)cc3)C2)CC1 66921155 QZSPFCRGBCFXRM-GOSISDBHSA-N 346.858 2.585 30 40 EFEB Cc1cc([C@@H]2CCCN(CC(=O)NC3(C#N)CCCCCC3)C2)n[nH]1 84110930 BADNYVXCKJJVHX-MRXNPFEDSA-N 343.475 2.630 30 40 EFEB C[C@](C#N)(NC(=O)CNc1ccc(F)cc1OCC1CC1)C1CC1 72293930 WYQZYZAEXPVQEE-GOSISDBHSA-N 331.391 2.835 30 40 EFEB CC(C)[C@@H](NC(=O)C(=O)Nc1ccc(F)c(C#N)c1)c1ccccn1 77858987 BBGXASCWYOIFRB-MRXNPFEDSA-N 340.358 2.544 30 40 EFEB C=CCN(c1cccc(OC)c1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 225021161 WOMALYIGBMDHSD-UHFFFAOYSA-N 348.380 2.985 30 40 EFEB C/N=C(/NCc1nncn1C)N[C@H](C)c1ccc(Cl)cc1Cl 96406102 WGBYMHZJRXWTEX-SECBINFHSA-N 341.246 2.548 30 40 EFEB Cc1ncsc1CCC(=O)N1CCC[C@@]2(CCCCO2)[C@H]1C#N 583739826 FEGCYHNGWFCYSP-WBVHZDCISA-N 333.457 2.838 30 40 EFEB C[C@@H]1CCN(c2ccc(F)cc2F)CCN1c1ccc(C#N)nn1 1616034568 OZTCMERYNXZIIV-GFCCVEGCSA-N 329.354 2.732 30 40 EFEB Cc1ccc(NC(=O)N2CCN(C(=O)c3ccc(C#N)cc3)CC2)cc1 75148301 QNZARZVQLCLLEY-UHFFFAOYSA-N 348.406 2.857 30 40 EFEB N#CCCCCNS(=O)(=O)c1ccc(C#N)cc1N1CCCCC1 1615050850 FHNSXXDWNBUSBI-UHFFFAOYSA-N 346.456 2.521 30 40 EFEB C=CCNC(=S)N/N=C/c1ccc(-c2ccccc2C(=O)OC)o1 6180086 VNEJOYPKGCYCMD-YBFXNURJSA-N 343.408 2.717 30 40 EFEB Cc1nc(C)c(CN2C[C@H]3CN(c4ncccc4C#N)C[C@H]3C2)s1 2086934248 BZROVMQUZWCEJZ-IYBDPMFKSA-N 339.468 2.595 30 40 EFEB COc1cccc(OCc2cc(C=Nn3cncn3)ccc2OC)c1 13110473 LRBUXUAWBJSBAA-UHFFFAOYSA-N 338.367 2.757 30 40 EFEB C#CCN(Cc1cc(=O)n2ccccc2n1)[C@@H]1CCc2ccccc21 40539380 IEGUYXGITINJCC-LJQANCHMSA-N 329.403 2.817 30 40 EFEB Cc1nn(C)c(Cl)c1COC(=O)[C@@H](C)Oc1ccccc1C#N 84012403 XDXJBEAGOJQUBY-LLVKDONJSA-N 333.775 2.764 30 40 EFEB C=CCSc1nc(=O)c2c(n1C)NC(=O)C[C@@H]2c1cccc(F)c1 4944603 QNPYGQBBQCTROA-GFCCVEGCSA-N 345.399 2.672 30 40 EFEB C=CCNC(=O)c1cccc(S(=O)(=O)Nc2ccc(F)cc2)c1 8316873 WWEPOHVEFONEBT-UHFFFAOYSA-N 334.372 2.542 30 40 EFEB Cc1cccc(C(=O)O/N=C2\CCS(=O)(=O)c3sccc32)c1 1393054 NTMKNFQVFJKHQJ-DTQAZKPQSA-N 335.406 2.795 30 40 EFEB CCOc1ncc(C(=O)[C@@H](C#N)C(=O)NC2CCCCC2)cc1Cl 112483871 DESNHFCAIIKRJG-CYBMUJFWSA-N 349.818 2.905 30 40 EFEB N#Cc1cccc(NC(=O)NCc2nc(Cc3ccccc3)no2)c1 58191186 JSMFNDCGKOAHSM-UHFFFAOYSA-N 333.351 2.854 30 40 EFEB C=CCN(Cc1cccs1)C(=O)Cn1ncc(=O)c2ccccc21 48231121 JZXXNWYYJMCNDS-UHFFFAOYSA-N 339.420 2.673 30 40 EFEB C#CCNC(=O)c1csc(-c2cc(Br)cs2)n1 49084172 YJJUTUOIOBSZPU-UHFFFAOYSA-N 327.228 2.997 30 40 EFEB CN(C)CC(=O)Nc1cccc(CNc2cccc(F)c2C#N)c1 69591433 QSCLFZRVRPDTSX-UHFFFAOYSA-N 326.375 2.810 30 40 EFEB Cc1n[nH]c(N/N=C/c2ccc(-c3ccc(Cl)cc3)o2)nc1=O 15015595 CMIJNQHMGBFPLC-CAOOACKPSA-N 329.747 2.833 30 40 EFEB CCOc1ccc(/C=C/C(=O)OCC(=O)N[C@](C)(C#N)C(C)C)cc1 7254689 WBSNTVZQYLFQFX-UFUQCMIWSA-N 344.411 2.696 30 40 EFEB CC[C@H]1CCCCN1CC(=O)Nc1c(C#N)cnn1-c1ccccc1 67715288 TUGADVFVTYISLZ-INIZCTEOSA-N 337.427 2.947 30 40 EFEB Cc1cc(/C(O)=N/S(=O)(=O)C[C@H]2CCCCO2)c(C)n1C(C)C 71892484 YURSZKIIPDNVNA-CQSZACIVSA-N 342.461 2.889 30 40 EFEB Cn1cnnc1-c1ccnc(NC(=O)c2ccc(C3(C#N)CC3)cc2)c1 95992206 PVOAQHQVMCKQJS-UHFFFAOYSA-N 344.378 2.685 30 40 EFEB C[C@@](C#N)(NC(=O)CN1CCC(c2ccc(F)cc2)CC1)C1CC1 89368587 TXPKCPDHZHKDNJ-IBGZPJMESA-N 329.419 2.814 30 40 EFEB Cn1c(-c2ccccc2)nnc1[C@H](C#N)C(=O)Nc1ccccc1F 89741275 QGGUBEGWLFPINT-ZDUSSCGKSA-N 335.342 2.867 30 40 EFEB N#Cc1ccc(N2CCC[C@H]2C(=O)NC2CC2)c(Br)c1 97104405 GXLWDCRFIBCNMI-AWEZNQCLSA-N 334.217 2.568 30 40 EFEB CCC[C@H](C)NC(=O)CSc1nc(C)c(C(=O)OCC)cc1C#N 7149520 SRHUBBJILVDYKP-NSHDSACASA-N 349.456 2.835 30 40 EFEB N#Cc1cccc(COC(=O)Cc2ccc(N3CCCC3=O)cc2)c1 32776907 NQRHOMPJKUITQR-UHFFFAOYSA-N 334.375 2.971 30 40 EFEB CC(=O)[C@H]1CC[C@H]2[C@@H]3C[C@@H](O)C4=CC(=O)CC[C@]4(C)[C@H]3C(=O)C[C@]12C 4416464 OQHBUJSFKDUFCW-VTPSHUEJSA-N 344.451 2.873 30 40 EFEB CCNC(=S)N/N=C/c1ccc(-c2cccc(C(=O)OC)c2C)o1 6655083 HNOLQCCGZUSPFW-VXLYETTFSA-N 345.424 2.860 30 40 EFEB N#C[C@H](C(=O)c1ccc(OC(F)(F)F)cc1)C(=O)N1CCCCC1 103502474 VOOHZWRJENOZMM-CYBMUJFWSA-N 340.301 2.920 30 40 EFEB Cc1ccc(C(=O)N2CCN([C@@H](C#N)C3CCCCC3)CC2)cn1 54344924 DKDVZFKMYLDECM-SFHVURJKSA-N 326.444 2.620 30 40 EFEB COc1ccc2ccccc2c1/C=N/N1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1 104626084 SQTZQACLJCCSRC-ASSVNYGOSA-N 346.386 2.989 30 40 EFEB CCc1cccc(-n2c(SCCC#N)nnc2N2CCOCC2)c1 12533476 BCAHGRHDLICJDV-UHFFFAOYSA-N 343.456 2.672 30 40 EFEB C/N=C1/S[C@H](CC(=O)Nc2cc(Cl)cc(Cl)c2)C(=O)N1C 102958557 QIZMBWYHLFUBCH-OIRDJALBSA-N 346.239 2.882 30 40 EFEB Cc1ccc(S(=O)(=O)N/N=C/C2=CC3[C@H]4C=CC2C=C[C@@H]34)cc1 104283325 LRDQQJDNKXYMRI-LCUGCNLTSA-N 326.421 2.804 30 40 EFEB C=CCNC(=O)[C@@H](C)Sc1nnc(-c2ccc(OC)cc2OC)o1 8255423 HFBYRBPFHYFLAX-SNVBAGLBSA-N 349.412 2.537 30 40 EFEB COc1cc(C(=O)/C=C/c2ccc(O)cc2)ccc1S(C)(=O)=O 57809999 KTSIDMJSTAGREA-WEVVVXLNSA-N 332.377 2.700 30 40 EFEB N#Cc1ccccc1/C=C/C(=O)Nc1ccn(Cc2ccccn2)n1 58197514 ILTMQUFLVAUZTJ-CMDGGOBGSA-N 329.363 2.850 30 40 EFEB Cc1nn(-c2ccccc2)nc1C(=O)OCCOc1ccc(C#N)cc1 12985819 BRGKATYSBAVHLQ-UHFFFAOYSA-N 348.362 2.683 30 40 EFEB Cc1cc(C(=O)N(CCC#N)Cc2ccccn2)nn1C(C)(C)C 69538970 WOPONHQVTOSSAD-UHFFFAOYSA-N 325.416 2.898 30 40 EFEB C=CCNC(=O)c1ccccc1NC(=O)c1ccccc1[N+](=O)[O-] 8554511 YONBYFBOCAUWDM-UHFFFAOYSA-N 325.324 2.763 30 40 EFEB CCOc1cc(/C=N/n2cn[nH]c2=S)cc(Br)c1O 5444433 SVZKGCMJMPXNOC-LHHJGKSTSA-N 343.206 2.690 30 40 EFEB CC(C)(C)OC(=O)NCC(=O)[C@@H](C#N)c1nc2ccccc2s1 67786083 SACZINCDBNSFIX-SNVBAGLBSA-N 331.397 2.997 30 40 EFEB Cc1nn(C)c(Cl)c1CN1CCN([C@H](C#N)c2ccccc2)CC1 84012381 CCBHOCYJTCUSFA-QGZVFWFLSA-N 343.862 2.764 30 40 EFEB C=CCSc1nc(=O)c2c(n1C)N=C(O)C[C@@H]2c1ccc(O)cc1 9320026 AJZAVSUFZJOMDY-GFCCVEGCSA-N 343.408 2.888 30 40 EFEB CCOc1cc(/C=N/N(C)C)ccc1OS(=O)(=O)c1ccccc1 408948213 CGWMIKATMNQRAS-QGOAFFKASA-N 348.424 2.749 30 40 EFEB COc1ccccc1N/N=C(/C(=O)c1ccccc1)N1CCOCC1 20274892 SZPBCBXQNBDXMA-VZCXRCSSSA-N 339.395 2.636 30 40 EFEB CC(C)C(=O)NCCN(C)C(=O)Nc1ccc(C(C)(C)C#N)cc1 95981839 YOAGDVCWAKHSLD-UHFFFAOYSA-N 330.432 2.724 30 40 EFEB C=CCOc1cc(C(=O)NCc2cnn(C)c2C)cc2occc12 72240218 UXBFBGSLYXTPJJ-UHFFFAOYSA-N 325.368 2.970 30 40 EFEB COc1ccc(Cn2nc(C)cc2NC(=O)c2cc(C#N)cn2C)cc1 81548419 OYLMCVUNTBMLSH-UHFFFAOYSA-N 349.394 2.711 30 40 EFEB Cc1[nH]c2ccccc2c1/C=N/N1C(=O)[C@H]2[C@@H]3C=C[C@H]([C@@H]4C[C@H]34)[C@H]2C1=O 226662402 IKZCSAPFNLJAJB-WYIMOMOFSA-N 345.402 2.863 30 40 EFEB N#Cc1nccnc1O[C@H]1CCCN(C(=O)c2cc3ccccc3o2)C1 225482203 RDJNVBLCKLYYMT-AWEZNQCLSA-N 348.362 2.778 30 40 EFEB C[C@H]1CN(S(=O)(=O)CC2(C#N)CC2)c2cc(Cl)ccc2O1 97379571 HSAGMFINEYOWDG-JTQLQIEISA-N 326.805 2.561 30 40 EFEB COCCNC(=S)N/N=C/c1cc(C)n(-c2ccc(C)cc2)c1C 6299838 AVNYLBSRVRTCAR-UDWIEESQSA-N 344.484 2.847 30 40 EFEB C=CCNC(=O)CSc1nc2ccccc2c(=O)n1CCCC 3580189 AFFDIGPARFRNNW-UHFFFAOYSA-N 331.441 2.591 30 40 EFEB Cc1nn(CCC#N)c(C)c1CCC(=O)N1CCO[C@H]2CCCC[C@@H]21 46490290 FJOUHHCUADRQRK-ROUUACIJSA-N 344.459 2.516 30 40 EFEB C[C@@H]1COCCN1CCC(=O)Nc1sc2c(c1C#N)CCCCC2 26451314 AZGZVDUFWAUNOW-CYBMUJFWSA-N 347.484 2.938 30 40 EFEB C[C@H]1CN(C[C@@H]2CCCN2C(=O)Nc2cccc(C#N)c2)C[C@@H](C)O1 58017498 SYPSXSGKQUTWJB-DAYGRLMNSA-N 342.443 2.664 30 40 EFEB N#Cc1cccnc1NC[C@@H]1CCN(c2ncnc3ccsc23)C1 65474011 UDVCOXIWBUHOSE-LBPRGKRZSA-N 336.424 2.896 30 40 EFEB CN(CC(=O)Nc1cc(F)cc(F)c1)C(=O)Nc1cccc(C#N)c1 67012854 FAOQDJJVHGSVQZ-UHFFFAOYSA-N 344.321 2.939 30 40 EFEB Cc1nn(C)c(C)c1NC(=O)CNc1cc(C#N)ccc1OC(F)F 86205936 INANLLUJQCYIDA-UHFFFAOYSA-N 349.341 2.561 30 40 EFEB CS(=O)(=O)/N=C(\O)c1cc(Br)cc2ccccc12 78611881 BRUFDXYPGBCNLE-UHFFFAOYSA-N 328.187 2.867 30 40 EFEB CCN(C[C@H]1CCN(C(=O)c2ccc(C#N)cc2)C1)CC(F)(F)F 81448157 OTLZLBSKSKUGOM-CQSZACIVSA-N 339.361 2.905 30 40 EFEB Cc1nsc(NC(=O)[C@@H]2[C@H](C(F)(F)F)[C@H]3CC[C@H]2O3)c1C#N 574168099 IYVRPVJAQHVZEY-DOLQZWNJSA-N 331.319 2.618 30 40 EFEB COc1ccc(N(C[C@@H]2CO2)S(=O)(=O)c2ccc(C)cc2)cc1 380664 FQLUWXFICBSXDG-MRXNPFEDSA-N 333.409 2.598 30 40 EFEB CC(C)Oc1ccccc1CC(=O)[C@H](C#N)C(=O)N1CCCCC1 101930132 SWUDRKXMVZMQDA-INIZCTEOSA-N 328.412 2.738 30 40 EFEB CS[C@@H]1CCC[C@H]1N(C)CCS(=O)(=O)c1ccc(C#N)cc1 110659016 HIKIYZCYPCFYFS-HZPDHXFCSA-N 338.498 2.548 30 40 EFEB COc1ccc(/C=C2\Oc3cc(OCC(=O)O)ccc3C2=O)cc1 12890169 TZBMDXZADURIQF-PXNMLYILSA-N 326.304 2.775 30 40 EFEB biogenic CCCCOCCCN1CC(=O)C(c2nc3ccc(C)cc3[nH]2)=C1N 5182908 OXXFQEKGXAKFKO-UHFFFAOYSA-N 342.443 2.590 30 40 EFEB N#CC1(NC(=O)C/C=C/c2ccc(F)cc2)CCC2(CC1)OCCO2 81685339 VUDHFALMHGOLMR-OWOJBTEDSA-N 344.386 2.925 30 40 EFEB CC1=NNC(=O)/C1=N\Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 16949188 ASWRNFLWIYFJFY-UHFFFAOYSA-N 338.211 2.998 30 40 EFEB Cc1oc(NC(=O)[C@H](C)N2CCC[C@H](c3ccn[nH]3)C2)c(C#N)c1C 72270675 RAGPDDWRNSKHKR-JSGCOSHPSA-N 341.415 2.698 30 40 EFEB O/C(=N\c1nnc(-c2ccc(Br)o2)o1)C1=COCCO1 38552622 HIBKIQQWLYPFRM-UHFFFAOYSA-N 342.105 2.568 30 40 EFEB C[C@@H]1O[C@H](C)[C@H](C(=O)NC2(c3cccc(C#N)c3)CCOCC2)[C@@H]1C 529517113 GXPNNHMZQHUNDJ-BASYENTBSA-N 342.439 2.740 30 40 EFEB COc1cc(C#N)ccc1OCCOc1ccc2c(c1)CN(C)C2=O 534332352 SISCTJCTJFQCQM-UHFFFAOYSA-N 338.363 2.610 30 40 EFEB CN1CCN(c2ccc(N=C(O)c3ccnc(C4CC4)c3)nc2)CC1 329350661 WWPGFLGEFBEHMM-UHFFFAOYSA-N 337.427 2.742 30 40 EFEB C[C@@H](c1ccc(Cl)cc1)[C@H](C)N(C)S(=O)(=O)N(C)CCC#N 96446711 CUXJAZZSOSHRCH-OLZOCXBDSA-N 343.880 2.854 30 40 EFEB C[C@@H](CN1CCCCC1)/N=C(/O)Nc1cn(C)nc1C(F)(F)F 331312974 BDDYWDQBKFEFMH-JTQLQIEISA-N 333.358 2.639 30 40 EFEB CCCN(CC#N)C(=O)c1cc(F)ccc1I 69487302 REPVJNYMSQSOSZ-UHFFFAOYSA-N 346.143 2.806 30 40 EFEB CC1=CC[C@H](/C(C)=C/CC[C@](C)(O)/C=C2/C(=O)C(C)=C[C@H]2O)OC1=O 77257637 WALMEPYKXGNNSY-NWHYFRQXSA-N 346.423 2.542 30 40 EFEB biogenic,in-vitro C=CCCS(=O)(=O)Nc1ccn(Cc2cccc3cccnc23)n1 95428137 GXPWDMCZSKFDMW-UHFFFAOYSA-N 342.424 2.797 30 40 EFEB Cn1nccc1Nc1cc(B2OC(C)(C)C(C)(C)O2)c(Cl)cn1 1857793246 WNOVDFJWITVMDM-UHFFFAOYSA-N 334.616 2.511 30 40 EFEB C=CCN1C(=O)COc2ccc(-c3csc(NC(C)=O)n3)cc21 19820157 WQPOAHXKIOMQJG-UHFFFAOYSA-N 329.381 2.680 30 40 EFEB CCNC(=S)N/N=C/c1ccc(OCc2ccccc2C#N)cc1 6349358 XRPBNWUOMCMNEZ-CIAFOILYSA-N 338.436 2.955 30 40 EFEB N#Cc1cc2ccccc2nc1N1CCC(N2CCC[C@H]2CO)CC1 1776001435 RTVTVWFSAWOELT-SFHVURJKSA-N 336.439 2.532 30 40 EFEB CSc1ncc(C#N)c(N2CCC[C@H](N(C)C(=O)C(C)(C)C)C2)n1 2087128266 COZFTLKJBNTLFJ-ZDUSSCGKSA-N 347.488 2.543 30 40 EFEB N#Cc1ccc(S(=O)(=O)NCc2ccc(-c3ccoc3)o2)cc1 575610416 MIBXPRUDSIZISD-UHFFFAOYSA-N 328.349 2.890 30 40 EFEB O=C(C[C@H]1S/C(=N\C2CCCC2)NC1=O)Nc1ccccc1F 2665163 UFRUGQGPTFGEAK-CYBMUJFWSA-N 335.404 2.685 30 40 EFEB C=CCc1ccc(OCC(=O)N2CCO[C@@H]3CCCC[C@H]32)c(OC)c1 46484510 NMUJWWYTKJLXBZ-IAGOWNOFSA-N 345.439 2.973 30 40 EFEB Cc1cccc(NC(=O)CN2C(=O)CS/C2=C/C(=O)C(C)(C)C)c1 104897509 ZNTXAQQUKBMZCK-RQZCQDPDSA-N 346.452 2.966 30 40 EFEB COc1ccnc(N/N=C2/C(=O)Nc3ccc(-c4ccccc4)cc32)n1 43956581 WYSNHIQGZGUDPG-UHFFFAOYSA-N 345.362 2.921 30 40 EFEB N#C[C@@H](C(=O)C1=NO[C@@H](c2ccccc2)C1)c1nnc2n1CCCCC2 58267306 AJNBREJZRUERRR-GOEBONIOSA-N 349.394 2.698 30 40 EFEB Cc1ccc(C#N)cc1NC(=O)NCCc1nnc2n1CCCCC2 58453175 HPZBGADCOQWDRR-UHFFFAOYSA-N 338.415 2.549 30 40 EFEB O=C(NC(=O)c1ccccc1)NC(F)(F)C(F)(F)C(F)(F)F 2311523 UUKZZRGZERGFSU-UHFFFAOYSA-N 332.175 2.916 30 40 EFEB N#C[C@@H](C(=O)[C@@H]1CC(c2ccccc2)=NO1)c1nc2ccccc2[nH]1 48813589 RVNZSZNUYHKOIJ-GUYCJALGSA-N 330.347 2.932 30 40 EFEB Cc1nc(C)n(C[C@@H]2CCCN(CCOc3ccccc3C#N)C2)n1 69842226 KIDKYWNZCBWDGP-QGZVFWFLSA-N 339.443 2.558 30 40 EFEB N#Cc1cnn(CCSc2nnc(Cc3ccccc3F)o2)c1 71911303 LAAPIXGZBDQFQF-UHFFFAOYSA-N 329.360 2.660 30 40 EFEB Cc1ccccc1[C@@H]1C[C@@H]1C(=O)N1CCN(c2ccc(C#N)cn2)CC1 95400022 VWAHGWWARAHSTQ-OALUTQOASA-N 346.434 2.714 30 40 EFEB CC(=O)c1sc(NC(=O)CSc2ncccn2)c(C#N)c1C 409120859 WMLDUAQRDGRUBC-UHFFFAOYSA-N 332.410 2.652 30 40 EFEB CN(CC#N)S(=O)(=O)c1cc(Cl)ccc1OCC1CCC1 195576952 CLOSXTYKBIDDMU-UHFFFAOYSA-N 328.821 2.663 30 40 EFEB C#C[C@@H](NC(=O)c1cc(Cl)c2c(c1)OCCCO2)C1CCOCC1 583651617 PLQHANRLPOQDCK-OAHLLOKOSA-N 349.814 2.660 30 40 EFEB Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N1CC[C@@H]2CCCC[C@@H]2C1 52895172 XDUZWTSIYHKMOP-JKSUJKDBSA-N 341.455 2.835 30 40 EFEB N#Cc1cc(S(=O)(=O)N2CCC[C@@H]2c2ccccn2)ccc1F 69564380 GEODJBLLLWZLMB-MRXNPFEDSA-N 331.372 2.618 30 40 EFEB COC(=O)C[C@@]1(O)C(=O)C=C(c2ccccc2)N1c1ccc(C)cc1 16292653 PJZFLTPUYIHROA-HXUWFJFHSA-N 337.375 2.677 30 40 EFEB N#Cc1cccc(N2CCN(c3ccc(-c4cccs4)nn3)CC2)n1 1888922131 YIDHUCPSUSRFKX-UHFFFAOYSA-N 348.435 2.798 30 40 EFEB COc1ccc(NC(=O)[C@@H]2CCCN2/C=C/C(=O)C(F)(F)F)cc1 4175683 KSITXJRPNOYZBH-FROQITRMSA-N 342.317 2.743 30 40 EFEB CCCCCC(=O)N(O)[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1=O 101123051 ZAMVBYSBDZJLIX-CYBMUJFWSA-N 338.791 2.770 30 40 EFEB C[C@H]1c2cccc(/C(O)=N/S(=O)(=O)c3cccnc3)c2O[C@@H]1C 75797342 VKQOYHNROQYOSC-GHMZBOCLSA-N 332.381 2.660 30 40 EFEB N#Cc1ccccc1N1CCN(C(=O)[C@H]2CCOc3ccccc32)CC1 76805621 MDTBHYYTOXRNMP-SFHVURJKSA-N 347.418 2.773 30 40 EFEB C=CCNC(=O)NC(=O)CN[C@@H](C)c1ccc(Cl)cc1Cl 57326960 XZQLTLHYNXDBIL-VIFPVBQESA-N 330.215 2.656 30 40 EFEB Cc1c([C@H](C)NC(=O)CSCc2ccc(C#N)cc2)cnn1C 48124149 YAZJMKZUZDKMCG-LBPRGKRZSA-N 328.441 2.711 30 40 EFEB Cc1ccc(C[C@@H](C#N)Sc2nnnn2-c2ccc(O)cc2)cc1 12880461 OEUHNXCQZIVNLG-INIZCTEOSA-N 337.408 2.903 30 40 EFEB CCC[C@@H](C)C1(CC)C(=O)NC(=Nc2cccc(OC)c2)NC1=O 6204807 BRYQSIBPKPQMTM-GFCCVEGCSA-N 331.416 2.761 30 40 EFEB C=CCCO[C@H](C)C(=O)Nc1cc(C(C)(C)C)nn1-c1ncccn1 65490356 RZUSCAVAYFIBIN-CYBMUJFWSA-N 343.431 2.880 30 40 EFEB CN(CCc1ccccc1)C(=O)c1ccc(-n2ncc(C#N)c2N)cc1 66240351 DTSPLEAGRLOLQY-UHFFFAOYSA-N 345.406 2.641 30 40 EFEB CC(C)Oc1ccc(CNC(=S)N/N=C/c2cccnc2)cc1 8829421 XIIGCTAOANXTKS-UDWIEESQSA-N 328.441 2.867 30 40 EFEB CC(=O)N1CC[C@H](C(=O)Oc2ccc(-c3ccc(C#N)cc3)cc2)C1 79017641 ZVBFDQIZLKGICA-SFHVURJKSA-N 334.375 2.999 30 40 EFEB C/N=C(/NCc1nc(C)no1)NCC1(c2ccccc2)CCCC1 79349630 BPHWMPUZZRSEBV-UHFFFAOYSA-N 327.432 2.555 30 40 EFEB Cc1cc(C)c(C#N)c(NCc2cccc(NC(=O)CN(C)C)c2)n1 89599257 NCDPTFUXJMMUNH-UHFFFAOYSA-N 337.427 2.682 30 40 EFEB Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H](C)Cc1ccsc1 75121860 PMJFMRUTLAVADT-NSHDSACASA-N 343.452 2.605 30 40 EFEB CCc1ccc([C@@H]2[C@H](S(=O)(=O)c3ccc(C)cc3)[C@@]2(N)C#N)cc1 218457877 WJAUWXCKIULOMZ-CEXWTWQISA-N 340.448 2.718 30 40 EFEB CC(C)(C)c1ccc(C(=O)N2CCc3[nH]c(=O)c(C#N)cc3C2)cc1 225683211 BLGUKBCINTWTBK-UHFFFAOYSA-N 335.407 2.743 30 40 EFEB CC[C@H](C#N)S(=O)(=O)N(C)C1CCN(C2CCC(C)CC2)CC1 95439658 IAHXRRRDJXIDFS-BDVYOWHSSA-N 341.521 2.593 30 40 EFEB CC1=CC(=O)[C@@H](C(=O)/C=C/c2cccc(Br)c2)C(=O)O1 23640461 ZOALIJLVCRHSJJ-VBROQKIQSA-N 335.153 2.677 30 40 EFEB COc1ccc([C@H](C#N)C(=O)c2cc(OC)c3c(c2)OCCO3)cc1 85409895 LDPXJLFKJXSYAO-HNNXBMFYSA-N 339.347 2.965 30 40 EFEB C=CCNC(=O)[C@@H]1CCCN1C(=O)c1cc(Cl)cc(Cl)c1 40504693 QPKBGLOOZGCRHF-ZDUSSCGKSA-N 327.211 2.900 30 40 EFEB N#Cc1c(-c2ccccc2)c(-c2ccccc2)nn(CCC(=O)O)c1=O 1585093 BSTGBPNGQOADOT-UHFFFAOYSA-N 345.358 2.924 30 40 EFEB N#Cc1ccc(/C=C\C(=O)N2CCC[C@H]2c2nnc3ccccn23)cc1 103329253 WHCOJYQLTNQVPF-MQNTZWLQSA-N 343.390 2.978 30 40 EFEB COc1ccc([C@H]2O[C@]3(C)OC(=N)[C@]2(C#N)C(C#N)(C#N)[C@@H]3C)cc1 101027574 KNBJGGAZDRQYCX-USJGZYJXSA-N 336.351 2.670 30 40 EFEB N#C[C@H](NC(=O)[C@@H]1C[C@@H]1c1cccc(C(F)(F)F)c1)[C@H]1CCOC1 108077618 RFEGWFFGTZUWPH-MYPMTAMASA-N 338.329 2.854 30 40 EFEB C=CCNC(=O)[C@@H](C)N(C)CCCc1cc(-c2ccccc2)no1 58344232 SCKBYIRJFILZAU-OAHLLOKOSA-N 327.428 2.897 30 40 EFEB C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](CN(C)CC4OCCO4)[C@H]3C[C@@H]12 59475822 DRPJZGANZIVCHP-YNIGFRRXSA-N 349.471 2.605 30 40 EFEB biogenic C[C@]1(C(=O)OCC(=O)Nc2ccc(C#N)cc2)CC1(Cl)Cl 3502239 YRKLYYVFDPKIRG-CYBMUJFWSA-N 327.167 2.624 30 40 EFEB N#CCCN(Cc1ccco1)C(=S)NCc1ccc2c(c1)OCO2 6640555 YYPUVNSGNLJIKE-UHFFFAOYSA-N 343.408 2.799 30 40 EFEB N#Cc1ccc(NC(=O)COc2cccc(N3CCCC3=O)c2)cc1 7063956 AZNPMJFOIOLQPH-UHFFFAOYSA-N 335.363 2.703 30 40 EFEB Cn1cc([C@H]2CN(c3ccc(Br)cc3C#N)CCO2)cn1 96008506 HLGFMQFBYPMDNB-OAHLLOKOSA-N 347.216 2.632 30 40 EFEB N#C[C@@H](C1CCCCC1)N1CCN(C(=O)CCc2ccccn2)CC1 71841949 GYQLOEOJOZOJJR-IBGZPJMESA-N 340.471 2.631 30 40 EFEB CCn1cc([C@@H]2OCC[C@H]2CNCc2ccc(OC)c(C#N)c2)cn1 78880452 BTQWICPEPKKKFN-HNAYVOBHSA-N 340.427 2.651 30 40 EFEB COc1ccc([C@@H](C#N)C(=O)c2cc(OC)c3c(c2)OCO3)cc1 66089822 KJYNNLFVAYHMAZ-CQSZACIVSA-N 325.320 2.923 30 40 EFEB N#Cc1cccc(CSc2nc3cc(Cl)ccc3c(=O)n2N)c1 71768832 ISDXJRXRPULUKL-UHFFFAOYSA-N 342.811 2.928 30 40 EFEB N#Cc1cccc(N[C@@H]2CO[C@]3(CCCN(Cc4ccoc4)C3)C2)n1 96048305 MLLXNQVDFDOQNK-PKOBYXMFSA-N 338.411 2.782 30 40 EFEB Cc1ccc(N2CCCN(Cc3cccc(C#N)c3F)CC2)nn1 611371661 XKXDRYZVVKYYOV-UHFFFAOYSA-N 325.391 2.508 30 40 EFEB C#CCOc1ccc(N(C)S(=O)(=O)c2ccc(CC#N)cc2)cc1 80752024 BUFUIGWWQVOPJX-UHFFFAOYSA-N 340.404 2.590 30 40 EFEB Cc1ccc(-n2nnnc2[C@H](C#N)C(=O)c2cc(F)cc(F)c2)cc1 16311419 KKAWFSJNWXRDBN-OAHLLOKOSA-N 339.305 2.739 30 40 EFEB N#CCCN(C(=O)CSc1ncccc1C(=O)O)c1ccccc1 5560686 ANIRTAJKRUSTHK-UHFFFAOYSA-N 341.392 2.819 30 40 EFEB CCOC(=O)CC(=O)CSc1nc(C)cc(C(F)(F)F)c1C#N 2489622 CDTJPFSMFGBOIT-UHFFFAOYSA-N 346.330 2.895 30 40 EFEB CC1(C)[C@H]2CC[C@@]1(CS(=O)(=O)Nc1cccc(C#N)c1)C(=O)C2 102229695 MCWJJBAIZZZRRX-SUMWQHHRSA-N 332.425 2.695 30 40 EFEB C/N=C1/S/C(=C\c2cc(Br)ccc2O)C(=O)N1C 59104664 PYRXWIVXFONREB-NVWBTOBJSA-N 327.203 2.687 30 40 EFEB N#Cc1cc(S(=O)(=O)Nc2ccc(C(=O)O)cc2)ccc1Cl 55548581 PFERBVHDXROBDI-UHFFFAOYSA-N 336.756 2.711 30 40 EFEB C[C@H](NC(=O)COC(=O)c1cccc(C#N)c1)c1ccc(F)cc1 3545716 GMTVVAMUWKFHET-LBPRGKRZSA-N 326.327 2.732 30 40 EFEB NC(=S)/C(=N/Nc1ccc(Cl)cc1Cl)C(=O)N1CCCC1 4476677 DIJYPRLNEIRPCP-WQRHYEAKSA-N 345.255 2.670 30 40 EFEB C[C@H]1[C@H](c2ccccc2)OC[C@@H](C)N1CC(=O)NC1(C#N)CCCC1 69697762 SFJACAHCMHXUCA-JTDSTZFVSA-N 341.455 2.789 30 40 EFEB N#Cc1nccnc1N[C@H]1CCN(c2ccccc2Br)C1 71894577 ZWDTULRPAROUPO-NSHDSACASA-N 344.216 2.802 30 40 EFEB C=CCOc1cccc(/C=N/N2C(=O)[C@H]3[C@H]4C=C[C@@H]([C@H]5C[C@H]54)[C@H]3C2=O)c1 408592126 XRMLVSOWGAXNIJ-YRLUDSIJSA-N 348.402 2.638 30 40 EFEB C=C(C)[C@H]1OCC[C@@H]1CNC(=O)N1CCc2c(cccc2OC)C1 281799703 MMRVTDCCDLKTRS-RDTXWAMCSA-N 330.428 2.744 30 40 EFEB C=CC[C@@H](C(=O)N(C)CCc1nc(O)c(C)c(O)n1)c1ccccc1 1616032832 UHHPDIFRHUVCNZ-OAHLLOKOSA-N 341.411 2.557 30 40 EFEB O=C(Nc1cccc(C#Cc2ccccn2)c1)N[C@H]1CC[C@@H](C(=O)O)C1 647696417 IVIVUOZHYBRZDD-QAPCUYQASA-N 349.390 2.856 30 40 EFEB Cc1nc(N2CCN(c3ccc(C#N)c(C)n3)CC(C)C2)ccc1C#N 576345748 VPCBTDOLKOCFLF-UHFFFAOYSA-N 346.438 2.800 30 40 EFEB COC(=O)c1ccoc1CO/N=C/C(=O)Nc1ccccc1Cl 32899453 KCMIFCOEAUTGNM-CAOOACKPSA-N 336.731 2.861 30 40 EFEB CCOC(=O)C1=C(N)OC2=C(C(=O)CCC2)[C@H]1c1cccc(F)c1 494938 LGJBRXHVCLGYHI-CQSZACIVSA-N 331.343 2.680 30 40 EFEB Cc1ccc(N2C[C@@H](C(=O)[C@@H](C#N)c3cc(C)nc(C)n3)CC2=O)cc1 41574744 KBQUXPCDJDYFAI-RDJZCZTQSA-N 348.406 2.631 30 40 EFEB CCOc1ccc(/C=C/C(=O)[C@H]2C(=O)C=C(C)OC2=O)cc1OCC 103841185 GPJGXGYXIHOPHI-IWHGQQBYSA-N 344.363 2.712 30 40 EFEB CC[C@]1(c2ccc(Cl)cc2)NC(=O)N(C[C@H](C#N)CCC#N)C1=O 24088523 SKBMRNJEDIBVHW-YVEFUNNKSA-N 344.802 2.941 30 40 EFEB O=C1Nc2cc3c(cc2/C1=N\Nc1ncccc1Cl)OCCCO3 54884255 KJMBMSPNZUWAPX-UHFFFAOYSA-N 344.758 2.665 30 40 EFEB CN1C(=S)S[C@@](C)(/[N+]([O-])=C/c2cccc([N+](=O)[O-])c2)C1(C)C 3668043 JVHRRIFYMPBRGR-SLVCOGOPSA-N 339.442 2.982 30 40 EFEB CCS[C@@H]1C(C(=O)c2ccccc2C)=C(CC(=O)O)C(=O)N1C 62716289 VRRNUBVVEDIBAN-QGZVFWFLSA-N 333.409 2.500 30 40 EFEB N#CC1(NC(=O)COc2ccc(Br)cc2F)CCCC1 5102190 WGRQFTJATVVQLK-UHFFFAOYSA-N 341.180 2.920 30 40 EFEB N#Cc1ccc(NC(=O)[C@@H]2CC(=O)N(CCc3ccccc3)C2)cc1 8757221 YDTHONBTKGENPE-QGZVFWFLSA-N 333.391 2.588 30 40 EFEB COC(=O)[C@H](c1cccc(C#N)c1)N(C)CC[C@@H]1CCCCN1C 83213689 XCMUOPFVLYBORR-ROUUACIJSA-N 329.444 2.579 30 40 EFEB CCCCC[C@@H](O)CC(=O)O[C@@H](C)C(=O)NC1(C#N)CCCCC1 72290041 KBBRPDYSMFZNKS-LSDHHAIUSA-N 338.448 2.592 30 40 EFEB Cc1nc(CN2CCC(CNC(=O)C3(C#N)CCCC3)CC2)oc1C 71896867 SLAHVLZXWHUUJF-UHFFFAOYSA-N 344.459 2.704 30 40 EFEB N#Cc1cc(N2CCCN(Cc3cscn3)CC2)ccc1[N+](=O)[O-] 97379574 BGCUCOMVBXRLMA-UHFFFAOYSA-N 343.412 2.635 30 40 EFEB CC[C@H](O)[C@@H]1CCCCN1S(=O)(=O)c1cc(Cl)ccc1C#N 95433061 JQCDWOVQGHIGAE-KBPBESRZSA-N 342.848 2.526 30 40 EFEB CC/N=C(/NCCc1csc(C)n1)NCc1cc(C#N)ccc1F 95962848 QQSWTYTULADVFO-UHFFFAOYSA-N 345.447 2.760 30 40 EFEB CCN(CCC#N)C(=O)c1ccc(S(=O)(=O)c2ccccc2)s1 89969181 DAXAWBWRHWXFCF-UHFFFAOYSA-N 348.449 2.957 30 40 EFEB C/N=C(/NCc1nccn1C)NCC1(c2ccccc2)CCCC1 79349167 BHEYUHRVRWYEAU-UHFFFAOYSA-N 325.460 2.597 30 40 EFEB C#Cc1cccc(N(Cc2ccco2)C(=O)Cn2cc(C3CC3)nn2)c1 96472362 DOPVMHHSLUURKK-UHFFFAOYSA-N 346.390 2.963 30 40 EFEB N#C[C@]1(c2ccccn2)CCCN(C(=O)COc2ccccc2F)C1 585113353 SBCVIWZOFOVANN-LJQANCHMSA-N 339.370 2.683 30 40 EFEB Cc1ccc(C(=O)N2CCN([C@H](C#N)C3CCCCC3)CC2)cn1 54344927 DKDVZFKMYLDECM-GOSISDBHSA-N 326.444 2.620 30 40 EFEB COc1cc(/C=C\C(=O)c2cccc(=O)c(O)c2)cc(OC)c1OC 5395889 OQBXGNMPIGQKBI-FPLPWBNLSA-N 342.347 2.674 30 40 EFEB C=CCN(C1CCCC1)S(=O)(=O)c1ccc(N2CCCC2=O)cc1 70019323 AKKUVJJMNKELLO-UHFFFAOYSA-N 348.468 2.933 30 40 EFEB N#CCc1ccc(OCC(=O)Nc2ccc(-n3ccnc3)cc2)cc1 58158679 NEXLGJGDUAQEBJ-UHFFFAOYSA-N 332.363 2.956 30 40 EFEB C[C@H]1CCCC[C@@H]1NC(=O)CO/N=C(/N)Cc1ccccc1Cl 58439643 VGYFGKQYHVKREA-WFASDCNBSA-N 337.851 2.866 30 40 EFEB CC(=O)c1cccc(NC(=O)[C@H](C)OC(=O)c2ccc(C#N)cc2)c1 3474171 JDZNOOQZPBHXJZ-ZDUSSCGKSA-N 336.347 2.945 30 40 EFEB CN(C)S(=O)(=O)c1ccc(Oc2ccc([N+](=O)[O-])cc2C#N)cc1 39316630 FIIZAYNZVYMPMX-UHFFFAOYSA-N 347.352 2.509 30 40 EFEB COc1ccc(C)cc1CN(C)S(=O)(=O)c1ccc(C#N)cc1 15365631 OYWHEZNEKQERBQ-UHFFFAOYSA-N 330.409 2.696 30 40 EFEB C#CCN1CCC(C(=O)Nc2ccc(NC(C)=O)cc2Cl)CC1 67945340 DJQAZKNHNIWCPK-UHFFFAOYSA-N 333.819 2.582 30 40 EFEB CS(=O)(=O)Cc1ccc(CNc2ccc([N+](=O)[O-])c(C#N)c2)cc1 97144530 SENCWKQGTJVONR-UHFFFAOYSA-N 345.380 2.623 30 40 EFEB C[C@H](CC(=O)NC1(C#N)CCOCC1)C(=O)c1ccc(Cl)cc1 95992077 HRJGBNQFLRMOHO-GFCCVEGCSA-N 334.803 2.738 30 40 EFEB Cc1cccc(N2C(=O)NC(=O)[C@H](C=Nc3ccccc3C)C2=O)c1 408528105 RNVIRUZPUFXIBD-HNNXBMFYSA-N 335.363 2.905 30 40 EFEB Cc1ccc([C@@H]2[C@@H](S(=O)(=O)c3ccc(C)cc3)[C@]2(C#N)CO)cc1 218346883 HGWPRNMHYSLDSG-GUDVDZBRSA-N 341.432 2.745 30 40 EFEB N#Cc1ccc(CNc2cccc(CN3CCC(C(N)=O)CC3)c2)cc1 122710663 HUXUHUICLDGKNC-UHFFFAOYSA-N 348.450 2.868 30 40 EFEB C=CCSc1nc(N)c(C#N)c(COc2ccccc2OC)n1 223690841 AXRSUUIPPLNAIX-UHFFFAOYSA-N 328.397 2.796 30 40 EFEB C#CCCCC(=O)N(Cc1ncc[nH]1)c1cncc(Br)c1 585124919 ADUOWQKPUOUYHG-UHFFFAOYSA-N 347.216 2.904 30 40 EFEB COC[C@@]1(C(N)=O)CCCN1Cc1ccc(-c2ccccc2C#N)cc1 591648463 XJUVLGWTFKTFPL-OAQYLSRUSA-N 349.434 2.692 30 40 EFEB N#Cc1ccnc(OC[C@H]2CCCN(c3nc(C4CC4)ns3)C2)c1 1776007770 DNFRZSVVGMMWAK-ZDUSSCGKSA-N 341.440 2.978 30 40 EFEB N#CCCN(C(=O)COC(=O)c1cccc(F)c1)c1ccccc1 3255310 SVQKHRQJGYTRIQ-UHFFFAOYSA-N 326.327 2.929 30 40 EFEB CC(C)CCC[C@@H](C)NC(=O)CSc1nc(N)c(C#N)cc1C#N 23584692 NJZMXGDPGSAEDX-GFCCVEGCSA-N 345.472 2.830 30 40 EFEB CCOC(=O)c1sc(NC(=O)c2snnc2C)c(C#N)c1C 27788969 SKQKHISEJYUTHA-UHFFFAOYSA-N 336.398 2.517 30 40 EFEB CC(=O)c1ccc(N2CCN(C(=O)c3cccc(C#N)c3)CC2)cc1 3350981 NOGXFMCGGRRQGI-UHFFFAOYSA-N 333.391 2.723 30 40 EFEB C#CCN1CCC(C(=O)N[C@@H](C)COc2c(C)cccc2C)CC1 65576815 DOVMUGUHBBNKPN-KRWDZBQOSA-N 328.456 2.532 30 40 EFEB CC(C)CCN(C(=O)c1ccc(-n2ncc(C#N)c2N)cc1)C1CC1 66240315 XMUBEUKGVQQQTJ-UHFFFAOYSA-N 337.427 2.977 30 40 EFEB C=CCc1cc(/C=N/n2c(S)nnc2CC)cc(OCC)c1O 408860773 DVJMEHUQHCKSME-LICLKQGHSA-N 332.429 2.844 30 40 EFEB C=CCNC(=O)[C@H](C)Sc1nc2ccccc2c(=O)n1C1CC1 7042200 VCIHCEFHZZUJDL-NSHDSACASA-N 329.425 2.514 30 40 EFEB C=CCN(c1ccccc1)S(=O)(=O)c1ccc(OC)c([N+](=O)[O-])c1 9726244 YGYPLTWTERJSEX-UHFFFAOYSA-N 348.380 2.985 30 40 EFEB N#CCCN(Cc1cccnc1)C(=O)Nc1cccc([N+](=O)[O-])c1 72306512 DQHNBAXULYBQOJ-UHFFFAOYSA-N 325.328 2.938 30 40 EFEB N#Cc1ccc(C(=O)NCc2nccn2CCCc2ccccc2)[nH]1 89830571 LGDCMDKLJISBDK-UHFFFAOYSA-N 333.395 2.646 30 40 EFEB Cc1ccc(S(=O)(=O)N/N=C/c2cn(C)c3ccccc23)cc1 38208054 JHFKJHPBPOFJPZ-WOJGMQOQSA-N 327.409 2.799 30 40 EFEB Cc1nn(C)c(Oc2ccc(C#N)cc2)c1I 95704909 RMDPITCJOFOJIC-UHFFFAOYSA-N 339.136 2.997 30 40 EFEB Cc1cc(C)nc(-n2cc(C(=O)OCc3cccc(C#N)c3)c(C)n2)n1 96442038 OCTURZPMLWADIM-UHFFFAOYSA-N 347.378 2.816 30 40 EFEB COc1ccc(CN(CC(=O)N[C@](C)(C#N)C(C)C)C2CC2)cc1 7662032 XOLZIIMOTACFGJ-LJQANCHMSA-N 329.444 2.714 30 40 EFEB CN(C)C(=O)COc1cccc(CNc2cccc(F)c2C#N)c1 52429366 SIDNZSOFPLTYAI-UHFFFAOYSA-N 327.359 2.776 30 40 EFEB C=CCN(c1ccc(C(=O)N[C@@H]2C[C@@H]3CC[C@@H]2C3)cc1)S(C)(=O)=O 100402053 JKKJOITZJVEORZ-FRFSOERESA-N 348.468 2.557 30 40 EFEB N#Cc1cc(NC(=O)c2ccccc2)c(=O)n2c1[nH]c1ccccc12 102920191 PWQUOJXKRQQUHS-UHFFFAOYSA-N 328.331 2.905 30 40 EFEB COc1ccc([C@H]2CCN(S(=O)(=O)c3ccc(C#N)cc3)C2)cc1 58190728 QMDZCAAQUYDGJL-INIZCTEOSA-N 342.420 2.745 30 40 EFEB Cc1nc(N=C2NCN([C@H]3CCCC[C@H]3C)CN2)nc2ccccc12 17016453 NEEOQUZPWWKPOF-DYVFJYSZSA-N 338.459 2.914 30 40 EFEB C[C@@H]1CN(CC2CCN(Cc3ccc(C#N)cc3)CC2)C[C@@H](C)O1 69451248 LAENBUABNKSUGE-IAGOWNOFSA-N 327.472 2.879 30 40 EFEB N#Cc1ccccc1NC(=O)Cn1nnc(-c2ccccc2Cl)n1 5327012 RRFWPSPYBOVETB-UHFFFAOYSA-N 338.758 2.504 30 40 EFEB CN(C)c1nc(N/N=C/c2ccco2)nc(Nc2ccc(F)cc2)n1 5319437 LWWBPIPRXUWXEP-VCHYOVAHSA-N 341.350 2.859 30 40 EFEB CCN1C(C(=O)c2ccccc2)=C(OC)c2ccccc2S1(=O)=O 6759531 QSUULKCVMVVLNE-UHFFFAOYSA-N 343.404 2.909 30 40 EFEB C=CCOc1ccc(C(=O)N2CCC[C@H]2[C@H]2CCCN2C)cc1OC 69632823 DHSAAURSJSQJBG-SJORKVTESA-N 344.455 2.959 30 40 EFEB Cc1nc(N=C2NCN(CCc3ccccc3)CN2)nc2ccccc12 19324126 LJKNHSHLLQNVSV-UHFFFAOYSA-N 346.438 2.578 30 40 EFEB Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N(C)[C@@H]1CCc2ccccc21 72245329 GMZDGFWTOKCKMG-LJQANCHMSA-N 349.434 2.942 30 40 EFEB C=CCC[C@@H]1NC(=O)N(Cc2ccccc2-n2nc(C)cc2C)C1=O 577844735 XYKBVBYBYMGZCW-INIZCTEOSA-N 338.411 2.876 30 40 EFEB CS[C@H]1CC[C@@H](N(C)CCS(=O)(=O)c2ccc(C#N)cc2)C1 96448415 LZDIOOAPKGVCRX-CABCVRRESA-N 338.498 2.548 30 40 EFEB C=CCN(Cc1cccc(C#N)c1)S(=O)(=O)N1CCCCCC1 63310481 QMXQBMSRQDQWMP-UHFFFAOYSA-N 333.457 2.667 30 40 EFEB C#CCCC1(CCC(=O)N2CC[C@H](C(=O)O)[C@H]3CCCC[C@@H]32)N=N1 1616031274 KEDIADMRZFXVJU-ILXRZTDVSA-N 331.416 2.834 30 40 EFEB C=CCNc1nnc(SCC(=O)N2C[C@@H](C)C[C@H](C)C2)s1 5785066 ZKPJFSHKZUNGGS-QWRGUYRKSA-N 326.491 2.733 30 40 EFEB Cn1cccc1/C(O)=N/S(=O)(=O)c1cccc(C(F)(F)F)c1 40129893 LUXKGHPOVVENFT-UHFFFAOYSA-N 332.303 2.737 30 40 EFEB CC1=C(C(=O)c2ccccc2)[C@@H](c2ccc3c(c2)OCO3)NC(=O)N1 373876 FXPOUXRCSRECNM-QGZVFWFLSA-N 336.347 2.926 30 40 EFEB Cc1csc([C@H](C#N)C(=O)CSc2nc(C(C)(C)C)n[nH]2)n1 23107623 RUOYRDNNTUVJHL-SECBINFHSA-N 335.458 2.836 30 40 EFEB COC(=O)CCn1nc(C)c(/C=C/C(=O)c2ccc(C#N)cc2)c1C 58356698 OMKYFAWMUJAKNN-CMDGGOBGSA-N 337.379 2.831 30 40 EFEB Cc1onc2c(=O)n(C[C@@H](C#N)CCC#N)nc(-c3ccccc3)c12 58342813 OUEVGAVWBPSKKY-CYBMUJFWSA-N 333.351 2.803 30 40 EFEB COc1cc(OC)cc(N2CC[C@H](CNc3cnccc3C#N)C2)c1 91738962 SKTAPAQDFIAZJC-CQSZACIVSA-N 338.411 2.909 30 40 EFEB CCOc1ccc(/C=C2\S/C(=N/C(C)=O)NC2=O)cc1OCC 4695870 LKXVHVLJSZCHSS-ZROIWOOFSA-N 334.397 2.590 30 40 EFEB C#CCCCCC(=O)N[C@H](CC(=O)OC)c1ccc(OC)c(OC)c1 95983766 FEJGMCYQXYFFJG-OAHLLOKOSA-N 347.411 2.618 30 40 EFEB C[C@@H]1CCCCN1C(=O)Cn1c(C#N)cc(N)c1Cc1ccccc1 225859055 VJDFWTKHXPYTDD-OAHLLOKOSA-N 336.439 2.934 30 40 EFEB CSCCN(C)S(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1 225709731 CWSUXIBERCJWLG-UHFFFAOYSA-N 338.376 2.561 30 40 EFEB CO[C@@]1(C(O)=Nc2nc(CN3CCC[C@@H](C)C3)cs2)CCOC1 330015773 ONMVHWITQNSJSY-WBMJQRKESA-N 339.461 2.769 30 40 EFEB COC(=O)c1sc(N=C(O)c2[nH]nnc2-c2ccccc2)nc1C 330031608 AXZJVWKSUXQRNK-UHFFFAOYSA-N 343.368 2.660 30 40 EFEB C=CCOC[C@H]1CN(Cc2ccc(OC)cc2)Cc2nccn2C1 96187835 XPQKHEAJIVBJPW-KRWDZBQOSA-N 327.428 2.726 30 40 EFEB C#C[C@](C)(CC)NC(=O)CCCc1nc(-c2ccc(OC)cc2)no1 585110288 VGDLXOKZFLESMV-LJQANCHMSA-N 341.411 2.986 30 40 EFEB N#Cc1ccnc(N2CC[C@H](Oc3ccncc3Br)C2)c1 1776008739 OJMPTSOKWRAWEQ-LBPRGKRZSA-N 345.200 2.768 30 40 EFEB N#Cc1cc2c(nc1N1C[C@H]3CN(c4ccccn4)C[C@@H]3C1)CCCC2 2298061986 RHRLTFLUUSUKBH-QZTJIDSGSA-N 345.450 2.800 30 40 EFEB N#C[C@@H](C(=O)c1ccc(Cn2cncn2)cc1)c1nc2ccccc2o1 41541645 LBBHNRQANMTQBP-HNNXBMFYSA-N 343.346 2.958 30 40 EFEB C[C@H]1c2cccn2CCN1CC(=O)Nc1sc2c(c1C#N)CCC2 58172486 GAOWSIUFBIECGX-LBPRGKRZSA-N 340.452 2.925 30 40 EFEB COc1ccccc1/N=C(\S)N1CCN(c2ccccn2)CC1 8691197 JXEKPIMBKKZNHI-UHFFFAOYSA-N 328.441 2.830 30 40 EFEB Cc1oc(-n2cccc2)c(C#N)c1C(=O)N1CCC[C@@H](n2cccn2)C1 65609644 WPFOULZUUFRTLZ-OAHLLOKOSA-N 349.394 2.924 30 40 EFEB N#Cc1ncn(-c2nc(-c3cccnc3)nc3sc4c(c23)CCC4)n1 14272246 XUEMMHQILSKQGI-UHFFFAOYSA-N 345.391 2.694 30 40 EFEB COc1cc(C#N)ccc1OCC(=O)Nc1cccc(-c2ncc[nH]2)c1 69951734 YPQDWYPSZHMPIR-UHFFFAOYSA-N 348.362 2.974 30 40 EFEB CCC(=O)N1CCC[C@H](C(=O)[C@H](C#N)c2nc3ccccc3o2)C1 71803552 HIVOSVFBJRDTCM-STQMWFEESA-N 325.368 2.653 30 40 EFEB Cc1ncc(CO/N=C(/N)c2cccnc2N2CCCCC2)s1 84290643 BGZWNEQRNNOCAA-UHFFFAOYSA-N 331.445 2.674 30 40 EFEB CCC(=O)N1CCN([C@@H](C#N)c2ccc(Br)cc2)CC1 89941724 OENRPGAMSDSNHR-AWEZNQCLSA-N 336.233 2.568 30 40 EFEB N#C[C@@H](C(=O)c1cnn(-c2ccc(F)cc2)n1)c1nc2ccccc2[nH]1 121529510 PGDKHLMVGNWWLZ-ZDUSSCGKSA-N 346.325 2.773 30 40 EFEB O=C(O)c1cc(/N=C\c2ccc(N3CCOCC3)c(F)c2)ccc1O 409127100 CGBISPFVRSTTEB-JAIQZWGSSA-N 344.342 2.817 30 40 EFEB Cc1ccccc1C[C@H](C)C(=O)N[C@H]1CCN(c2ccncc2C#N)C1 1096387837 BXCBYDWGOAECRJ-LPHOPBHVSA-N 348.450 2.835 30 40 EFEB N#CCN1CCN(C(=O)c2cc(-c3ccccn3)ccc2Cl)CC1 95438342 AGZVGZWXFKGIPR-UHFFFAOYSA-N 340.814 2.683 30 40 EFEB N#C[C@H]1CN(C(=O)c2cc(Cl)ccn2)CCN1Cc1ccccc1 84536102 SMXMDLHQRZJKQZ-INIZCTEOSA-N 340.814 2.585 30 40 EFEB COc1ccc(-n2nnnc2C/C=N/Nc2ccc(Cl)cc2)cc1 5675994 ODTNZFWNCSGHRH-WOJGMQOQSA-N 342.790 2.965 30 40 EFEB N#Cc1ccnc(OC[C@H]2CCCN(c3ncnc4ncccc34)C2)c1 1776009313 CYMXRICKZDEONV-HNNXBMFYSA-N 346.394 2.587 30 40 EFEB C=CCN1C(=O)CCC12CCC(NC(=O)C1CC(F)(F)C1)CC2 2055819445 XAVOSRXCMVJCIO-UHFFFAOYSA-N 326.387 2.638 30 40 EFEB COCc1cc(C)nc(N/N=C/c2ccc(NC(C)=O)cc2)c1C#N 33686158 ZWGUSYPXBXVGBQ-KEBDBYFISA-N 337.383 2.813 30 40 EFEB N/C(=N/Cc1ccco1)NCCCNc1ccc(C(F)(F)F)cn1 58111877 FHUNXNSXXDFZOT-UHFFFAOYSA-N 341.337 2.600 30 40 EFEB COc1cc(C#N)ccc1OCC(=O)NCCc1ccc(Cl)cc1 3410702 MJXILDCNIANOTP-UHFFFAOYSA-N 344.798 2.958 30 40 EFEB COc1ccc(CCNC(=O)Nc2cccc(OCC#N)c2)cc1 48516517 RSAWCQDXSSFRLR-UHFFFAOYSA-N 325.368 2.962 30 40 EFEB Cc1ccccc1/C=N/OCC(=O)N1CCN(c2ccccc2)CC1 5689002 BQFLEYMBLSHRPO-RCCKNPSSSA-N 337.423 2.694 30 40 EFEB CN(C[C@@H](c1cccs1)N1CCOCC1)c1ncccc1C#N 72276381 HGGIRQCPZGOQNC-HNNXBMFYSA-N 328.441 2.524 30 40 EFEB C[C@@H](CC(=O)N1CCN(c2oc(C3CC3)nc2C#N)CC1)C1CC1 95955486 SJAVHLVTRWBGFH-LBPRGKRZSA-N 328.416 2.508 30 40 EFEB CN(C)[C@H](CN/C=C1\C(=O)Oc2ccccc2C1=O)c1cccs1 1547201047 RUEVSGBFYXZBII-QLKUMGTLSA-N 342.420 2.626 30 40 EFEB CCc1ccc(NC(=O)[C@H](C#N)C(=O)c2cnn3c2CCCC3)cc1 125610861 ZBNRRLOUEWMGKJ-OAHLLOKOSA-N 336.395 2.743 30 40 EFEB Cc1ccc2cc(C#N)c(NCCNC(=O)c3cccnc3)nc2c1 35312178 RIECHZPQETVSLO-UHFFFAOYSA-N 331.379 2.652 30 40 EFEB C=CCO[C@H]1CCN(C(=O)c2cccc(C#N)c2)[C@H]1Cc1ccncc1 96200777 DOLHCBCZCRJVLI-PMACEKPBSA-N 347.418 2.982 30 40 EFEB N#Cc1cncc(N2C[C@H]3CC[C@H]2[C@@H]2CN(Cc4ccccc4)C[C@H]32)n1 585091417 GURSEAFPJAVQIY-AFYVEPGGSA-N 345.450 2.695 30 40 EFEB C=CCN(Cc1ccccc1F)C(=O)Nc1cnn(CCOC)c1 56636901 FGPGLNGXALUPOI-UHFFFAOYSA-N 332.379 2.889 30 40 EFEB N#Cc1cc(Br)ccc1NCC1(O)CCSCC1 96008472 CPHIUKPLYCFIOG-UHFFFAOYSA-N 327.247 2.991 30 40 EFEB CC/C(=N\NS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1 4683688 PRTJYFDLWOCLTK-FOCLMDBBSA-N 333.369 2.687 30 40 EFEB COc1ccc(OC)c(/C=N/Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1 4402279 NIRXTWRZXFJKSI-CXUHLZMHSA-N 346.299 2.966 30 40 EFEB CCN(C[C@H](C)C#N)C(=O)COC(=O)c1oc2ccccc2c1C 50195480 UARVGKLFNOLXPQ-GFCCVEGCSA-N 328.368 2.906 30 40 EFEB CCCc1cc(=O)oc2c(C)c(O)c(-c3ccc(C#N)c(=O)[nH]3)cc12 11866515 IIARWRJAVKXTST-UHFFFAOYSA-N 336.347 2.987 30 40 EFEB CCOC(=O)c1sc(N)c(C#N)c1COC(=O)[C@@H]1CC=CCC1 6291327 LFCVBOWUJNAIQN-SNVBAGLBSA-N 334.397 2.778 30 40 EFEB Cc1ccc(-c2c[n+](CC(=O)Nc3nccs3)c3n2CCC3)cc1 27526081 UHFRLBHYAVCJJD-UHFFFAOYSA-O 339.444 2.792 30 40 EFEB N#CC1(NC(=O)CN2CCc3cc([N+](=O)[O-])ccc32)CCCCCC1 42665805 RHQGKWDEGOXAOB-UHFFFAOYSA-N 342.399 2.690 30 40 EFEB N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)[C@H]2CC=CCC2)CC1 24380997 XXEXZIRQFXZNJO-WMZOPIPTSA-N 327.403 2.891 30 40 EFEB N#Cc1ccc(-c2ccc(OS(=O)(=O)c3c[nH]cn3)cc2)cc1 76018095 WEUFJYLEXJEUMZ-UHFFFAOYSA-N 325.349 2.716 30 40 EFEB CC(=O)N(C(C)=O)c1c(C#N)c2ccccn2c1C(=O)c1ccccc1 27546150 MKJGCZYRICFNEP-UHFFFAOYSA-N 345.358 2.941 30 40 EFEB CCOc1cc(C#N)ccc1OCC(=O)Nc1nc2ccccc2[nH]1 17304428 NJWRSXJAXXEHRY-UHFFFAOYSA-N 336.351 2.851 30 40 EFEB Cc1cc(C)cc(-n2ccnc2SCC(=O)N(C)CCC#N)c1 7056545 RRLOGQBJPWKFCS-UHFFFAOYSA-N 328.441 2.953 30 40 EFEB N#Cc1cc(Br)ccc1NC[C@@]1(CCO)CCOC1 96008520 PCCYRCPIVPIKPB-CQSZACIVSA-N 325.206 2.522 30 40 EFEB Cn1cc([C@H]2CCCN2C(=O)c2cn(CC#N)c3ccccc23)cn1 72255004 HANSKTFBAZJKOL-QGZVFWFLSA-N 333.395 2.876 30 40 EFEB COc1cc(C=Nn2cnnc2)c([N+](=O)[O-])cc1OCCC(C)C 254441393 YYKZWJGIXNANOZ-UHFFFAOYSA-N 333.348 2.502 30 40 EFEB Cc1cc2c(NC(=O)[C@H]3COc4ccccc4C3)n[nH]c2cc1C#N 1639798901 FLZLKYHHXJPXMI-CQSZACIVSA-N 332.363 2.933 30 40 EFEB Cc1csc(NC(=O)C2CCN(c3ccc(C#N)cn3)CC2)n1 40481357 IGKABFCBUVCEDQ-UHFFFAOYSA-N 327.413 2.573 30 40 EFEB COc1ccc(CNC(=O)[C@@H](C#N)C(=O)c2cc(C)cc(F)c2)cc1 101372610 NPMKPHGOLQMLMV-KRWDZBQOSA-N 340.354 2.782 30 40 EFEB Cc1cccc(NC(=O)[C@@H](C#N)C(=O)CCc2c(C)nn(C)c2C)c1 103504135 NEDYCCLZCYEDFJ-KRWDZBQOSA-N 338.411 2.626 30 40 EFEB COc1ccc([C@@H](CC(=O)Nc2ccc(C#N)cc2)NC(C)=O)cc1 8705657 GJSZGLLYHCTRSS-GOSISDBHSA-N 337.379 2.773 30 40 EFEB C=CCN(Cc1ccc(C#N)cc1)C(=O)Cn1c(=O)oc2ccccc21 65585755 XBFMPXMZXFVGHH-UHFFFAOYSA-N 347.374 2.681 30 40 EFEB COC(=O)c1ccc(F)cc1S(=O)(=O)Nc1cc(C#N)ccc1C 66584078 MRWWQVCHTYGRLH-UHFFFAOYSA-N 348.355 2.593 30 40 EFEB CC1=CC(=O)C[C@H]2[C@@]1(O)CC[C@@H](C)[C@]21C[C@H](c2ccoc2)OC1=O 37538979 DLHZVTVUHATYAU-XCHHOXJDSA-N 330.380 2.950 30 40 EFEB biogenic,in-vitro N#C[C@@H](NC(=O)c1cccc2c1OCCO2)c1ccc(F)cc1F 79352455 GTWKPXOLTRLNLN-CQSZACIVSA-N 330.290 2.731 30 40 EFEB CC(=N\O)/C(=N\NS(=O)(=O)c1ccccc1)c1ccc(C)cc1 5543052 ZKSXQKQGKPFUQL-BSEKWEKLSA-N 331.397 2.528 30 40 EFEB CCc1n[nH]c(=S)n1/N=C/c1cc(Br)ccc1O 5557198 QDOWBSVWXPNDII-AWNIVKPZSA-N 327.207 2.853 30 40 EFEB C#CCN1C(=O)N(Cc2ccc(F)cc2)S(=O)(=O)c2ccccc21 1889028865 QUHSBSYCQPIMPX-UHFFFAOYSA-N 344.367 2.590 30 40 EFEB N#Cc1ccccc1S(=O)(=O)NC[C@@H]1CCCN1c1ccccc1 217867893 IKSANLINNKCJEW-KRWDZBQOSA-N 341.436 2.506 30 40 EFEB C[C@H](N)CN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@H]1c1ccccc1 20314911 GWZPLKZYTXNBKM-SUMWQHHRSA-N 336.391 2.612 30 40 EFEB CCOCc1ccccc1CNS(=O)(=O)c1ccc(C#N)cc1 30519175 TXCKVJSQXUGFQP-UHFFFAOYSA-N 330.409 2.573 30 40 EFEB COc1c2c(cc3c1[C@H](C#CC1(O)CCCCC1)N(C)CC3)OCO2 20412175 QKNPQYQRDNBGRV-HNNXBMFYSA-N 343.423 2.652 30 40 EFEB biogenic COc1ccc(N2CCCN(c3nnc(C)c(C)c3C#N)CC2)cc1 52511658 RSYMCZRSRFSOHS-UHFFFAOYSA-N 337.427 2.690 30 40 EFEB C=CCN1C(=O)[C@@H](CC)S/C1=N/S(=O)(=O)c1ccc(C)cc1 101219180 DPFMMCMFPRBPEU-UWZWCOGJSA-N 338.454 2.580 30 40 EFEB N#Cc1ccc(C(=O)Nc2cc3c(cc2Cl)NC(=O)CO3)cc1 33193790 VJGWGDNYBHDGCA-UHFFFAOYSA-N 327.727 2.795 30 40 EFEB C=CCOc1ccc(CN(C)C(=O)[C@H](C)NC(=O)c2ccoc2)cc1 48181381 LUTFJFZXIPYKGJ-AWEZNQCLSA-N 342.395 2.621 30 40 EFEB COc1cccc([C@H]2O[C@]3(C)OC(=N)[C@@]2(C#N)C(C#N)(C#N)[C@H]3C)c1 102726137 NTIDUYYKZFRVAA-XBLNEZIDSA-N 336.351 2.670 30 40 EFEB Cc1ccc(N=C[C@H]2C(=O)NC(=O)N(c3ccccc3F)C2=O)cc1 408528158 STQWQHFQCQAWJC-ZDUSSCGKSA-N 339.326 2.736 30 40 EFEB C=CCNC(=O)CN[C@H](c1ccc(F)cc1)c1ccc(OC)cc1 69918678 WFLDWNVQMUTCSA-LJQANCHMSA-N 328.387 2.816 30 40 EFEB C/C(=N\N=C1/NC(=O)[C@@H](CC(=O)O)S1)c1ccc2ccccc2c1 4576762 RLVBMKVIIBPSBY-LEBHLANCSA-N 341.392 2.626 30 40 EFEB COc1ccc2c(/C=N/NS(=O)(=O)c3ccc(C)cc3)c[nH]c2c1 5576499 PEIHAQGPCWKGRI-YBFXNURJSA-N 343.408 2.797 30 40 EFEB COc1cc(C#N)ccc1OCC(=O)N(C)Cc1cccc(F)c1 5629863 SMTHUMYTZYVPKP-UHFFFAOYSA-N 328.343 2.743 30 40 EFEB Cc1nc(N=C2NCN(Cc3ccccc3)CN2)nc2c(C)cccc12 19324509 YEWDZGOMPSDIFP-UHFFFAOYSA-N 346.438 2.844 30 40 EFEB C#CCOc1cc(CNC(=O)/C=C/c2cnc(C)s2)ccc1OC 96405688 OLAVBAKTCCUUDF-SOFGYWHQSA-N 342.420 2.802 30 40 EFEB Cc1nc(/C=C/c2cnn(C)c2)sc1C(=O)/C=C/c1cnn(C)c1 71862746 LECNSIOSSUUFPX-YDFGWWAZSA-N 339.424 2.985 30 40 EFEB Cc1ccc(N(CCC#N)C(=O)CS(=O)(=O)C2CCCC2)cc1C 79000243 VRGWQJBVOUJPSH-UHFFFAOYSA-N 348.468 2.908 30 40 EFEB Cc1nn(-c2ccc(Br)cc2)cc1C(=O)N(C)CCC#N 95448596 GSPPBDSGKXNWBJ-UHFFFAOYSA-N 347.216 2.929 30 40 EFEB C=CCCC[C@@H]1NC(=O)[C@@H](c2ccc(C(F)(F)F)cc2)NC1=O 1614626286 ZAKCYYZJBNVKBI-QWHCGFSZSA-N 326.318 2.717 30 40 EFEB COc1ccc(O)c(/C=N/CC/N=C/c2cc(OC)ccc2O)c1 98086187 XWAZYZAEYOMRJH-AYKLPDECSA-N 328.368 2.653 30 40 EFEB C=CCNC(=O)[C@]1(Cc2cc(-c3ccc(C)cc3)no2)CCCN1 19696494 CQYIOMKCHTYTOI-LJQANCHMSA-N 325.412 2.617 30 40 EFEB N#Cc1cccc(C(=O)N2CC[C@H](Oc3cnc4ccccc4n3)C2)c1 618255644 UXNWXCLYWYPUIJ-INIZCTEOSA-N 344.374 2.795 30 40 EFEB CC(C)NC(=O)[C@@H](C#N)C(=O)[C@H](C)Oc1ccccc1C(F)(F)F 100730465 GOGCLLQBMAKKSG-QWRGUYRKSA-N 342.317 2.706 30 40 EFEB N#Cc1ccccc1N1CCCN(C(=O)Cc2ccccc2O)CC1 69492909 DWQKKHNSRZUXIR-UHFFFAOYSA-N 335.407 2.545 30 40 EFEB Cc1nn(CCC#N)c(C)c1CCC(=O)Nc1nc2ccccc2[nH]1 24049497 BWNYMKICCNFACS-UHFFFAOYSA-N 336.399 2.861 30 40 EFEB C=CCc1cccc2cc(C(=O)N3C[C@@H](C)O[C@H](C)C3)c(=O)oc12 11565756 HCZBNNXBJCJAER-CHWSQXEVSA-N 327.380 2.771 30 40 EFEB CC(C)[C@@](C)(C#N)NC(=O)COc1ccc(Br)cc1 5861078 XRUPHJMTPJIBBD-CQSZACIVSA-N 325.206 2.882 30 40 EFEB N#Cc1nc(N2CCC(C(=O)NCc3ccco3)CC2)ccc1Cl 67370668 OJLXGYXSTYBBNV-UHFFFAOYSA-N 344.802 2.732 30 40 EFEB N#Cc1ccccc1-c1ccc(CNC(=O)CN2CCCCC2=O)cc1 91101436 NUTADQCJWYGGGF-UHFFFAOYSA-N 347.418 2.854 30 40 EFEB N#Cc1ccc(NCC(=O)N2CCC(OC3CCCC3)CC2)cc1 71851730 CMUJYSXNNYYVHY-UHFFFAOYSA-N 327.428 2.920 30 40 EFEB COCc1ccc([C@@H]2CCCN2C(=O)Nc2ccn(CCC#N)n2)o1 97161645 UABGGJALXZGHCH-AWEZNQCLSA-N 343.387 2.905 30 40 EFEB C=CCOc1ccc(C(=O)N[C@H](CC)c2noc(C)n2)cc1OC 72309370 TWUZJJZFVXTLPO-CYBMUJFWSA-N 331.372 2.833 30 40 EFEB C[C@H](OC(=O)[C@@H]1CC(=O)N(CC(F)(F)F)C1)c1ccc(C#N)cc1 75093813 JVKXWLRNXLRVLM-GXFFZTMASA-N 340.301 2.573 30 40 EFEB CCOC(=O)C1=C(NC(=O)CC)S/C(=C\c2ccc(C)o2)C1=O 409091970 RZAGHOIEPROINI-FLIBITNWSA-N 335.381 2.546 30 40 EFEB CC(C)[C@@H]1N(C(=O)NCc2ccc(C#N)s2)CC12CCOCC2 565415879 GXDAITVLSZCYOO-HNNXBMFYSA-N 333.457 2.966 30 40 EFEB CN(Cc1ccc(C#N)cc1)[C@H]1CCN(c2sccc2C#N)C1=O 83168412 IUCZEOIILFMCOS-INIZCTEOSA-N 336.420 2.729 30 40 EFEB CCN(CCC#N)C(=O)CNc1cc(F)cc(Br)c1 88534245 AWQJXUXOUWAFGD-UHFFFAOYSA-N 328.185 2.762 30 40 EFEB C=CCCC(=O)N1[C@H]2CC[C@@H]1CC(S(=O)(=O)c1ccccc1)C2 96121826 MHQNECVPTCTLAX-FKEKPDDDSA-N 333.453 2.949 30 40 EFEB COc1ccc(CNCCc2nc3ccc(F)cc3n2C)cc1C#N 96447827 HXDMKIHGJXOJJD-UHFFFAOYSA-N 338.386 2.925 30 40 EFEB C[C@H](CC#Cc1cccnc1)OC(=O)CN1CCCCCCC1=O 585136111 QTNLIVSMYSYJNX-MRXNPFEDSA-N 328.412 2.548 30 40 EFEB COCCn1c(S[C@@H](C)C#N)nc2sc3c(c2c1=O)CCC3 5430085 QVTZPFZLPJEBLO-VIFPVBQESA-N 335.454 2.597 30 40 EFEB N#Cc1nccnc1O[C@H]1CC[C@H](NC(=O)c2cccs2)CC1 244970175 HNCADESSXTWKBA-HAQNSBGRSA-N 328.397 2.530 30 40 EFEB O=C(COc1cccc(Br)c1)NCC#Cc1ccccc1 32899021 BRSGLVHPWATPLV-UHFFFAOYSA-N 344.208 2.996 30 40 EFEB CC(=O)N[C@H](C/C(O)=N/c1nc(C(F)(F)F)n[nH]1)c1ccccc1 26252846 CTXHLLBQWQERFH-SNVBAGLBSA-N 341.293 2.679 30 40 EFEB CCOc1cccc(C(=O)/C=C/c2cnc(N3CCOCC3)nc2)c1 65606666 YVOOLWNIOGUTJK-VOTSOKGWSA-N 339.395 2.608 30 40 EFEB CC(C)[C@](C)(C#N)NC(=O)COc1ccccc1Br 5999911 JHEWNXDPWUWPQU-AWEZNQCLSA-N 325.206 2.882 30 40 EFEB CCC(=O)N[C@@H]1CCCN(c2ccc(Br)cc2C#N)C1 96008441 ODGRANDHALDLBC-CYBMUJFWSA-N 336.233 2.816 30 40 EFEB N#C[C@H](NC(=O)[C@@H]1CCOC1)c1ccc(OCc2ccccc2)cc1 69516674 QBZRUEYOFKGOOG-MJGOQNOKSA-N 336.391 2.983 30 40 EFEB N#CCN1CCC(CNC(=O)[C@H]2CCCC[C@H]2C(F)(F)F)CC1 89817946 KYVRTKAMWADWMK-UONOGXRCSA-N 331.382 2.707 30 40 EFEB C=CCNC(=O)c1ccn(COc2ccc(Br)cc2)n1 28235375 KGILFTZOFZCZTF-UHFFFAOYSA-N 336.189 2.598 30 40 EFEB C/C(=C\c1cnn(Cc2ccccc2)c1)c1nc(C)c(C#N)c(=O)[nH]1 193613242 LBKQTHAQIRMUFL-MDWZMJQESA-N 331.379 2.755 30 40 EFEB CCOCC[C@H]1CCOC2(C1)CN(C(=O)c1cccc(C#N)c1)C2 575404173 LTAWSIOBGTUTIW-HNNXBMFYSA-N 328.412 2.606 30 40 EFEB O=C(O)C[C@H]1S/C(=N\N=C\c2ccco2)N(c2ccccc2)C1=O 1022885 IYIYQTSVISWHQU-YMIXRYHOSA-N 343.364 2.593 30 40 EFEB Cc1nc(C)c(F)c(OCC2CCN(c3cccc(C#N)n3)CC2)n1 1888864350 RHKGLBIAFGRLBL-UHFFFAOYSA-N 341.390 2.795 30 40 EFEB Cc1cnc([C@@H](NS(=O)(=O)c2cccc(C#N)c2)C2CC2)s1 96428445 CYCGJQFRFFQXQW-AWEZNQCLSA-N 333.438 2.753 30 40 EFEB COCCCn1c(SCC#N)nc2sc3c(c2c1=O)CCC3 4169098 HVVMGTNVBLYORW-UHFFFAOYSA-N 335.454 2.599 30 40 EFEB CC1(C)[C@H]2CC[C@@]1(C(=O)N1CCCCCC1)c1nc(C#N)c(C#N)nc12 101107547 QHIYPSJSPSSACP-RBZFPXEDSA-N 349.438 2.778 30 40 EFEB CCCCCCCCCCN(CCOCCO)C(=O)CCC(=O)O 100924224 MSQUHBMGRSXFSB-UHFFFAOYSA-N 345.480 2.829 30 40 EFEB N#Cc1c(N)cc(N)nc1SCc1ccn(-c2cccc(F)c2)n1 57265350 ZCPCDMWJWQLVLM-UHFFFAOYSA-N 340.387 2.735 30 40 EFEB COc1cc(Cl)c(NCC(=O)N[C@](C)(C#N)C(C)C)cc1OC 11100384 SMYWSMDOVRHCGT-MRXNPFEDSA-N 339.823 2.824 30 40 EFEB Fc1ccccc1/C=N\n1cnnc1N/N=C/c1ccccc1F 4472959 LPGUUDFQUNDZCU-QOLNZVEYSA-N 326.310 2.885 30 40 EFEB C[C@@H](OC(=O)c1ccc(Cl)nc1)C(=O)Nc1cccc(C#N)c1 6634867 XMSMUPKDQWPWBO-SNVBAGLBSA-N 329.743 2.791 30 40 EFEB CN1C(=S)S[C@H](/[N+]([O-])=C\c2cccc([N+](=O)[O-])c2)C1(C)C 4785759 XVMNAWISONYYBU-UXYFDLPDSA-N 325.415 2.592 30 40 EFEB Cc1ccc2nc(N=C3NCN(Cc4ccccc4)CN3)nc(C)c2c1 19324132 MHBXXPYXADBVHA-UHFFFAOYSA-N 346.438 2.844 30 40 EFEB CSc1ccc(/C=N/n2c(S)nnc2-c2cc(C)n[nH]2)cc1 9349708 MPEQJYSRQHXLCD-OVCLIPMQSA-N 330.442 2.869 30 40 EFEB COc1ccccc1/C=C/C(=O)c1cc(S(N)(=O)=O)ccc1C 71911267 IGRGADULBQPYHG-CSKARUKUSA-N 331.393 2.547 30 40 EFEB C/N=C(\NCc1ncccc1C)N[C@@H](C)c1cc(OC)ccc1OC 85789878 MSWGISYHHUPKDU-AWEZNQCLSA-N 342.443 2.833 30 40 EFEB CC(C)(C#N)C(=O)/N=c1\[nH]ccn1Cc1ccc(Br)cc1 89620842 DHPUOJJTLUYXNL-UHFFFAOYSA-N 347.216 2.604 30 40 EFEB CCCCCCC[C@]1(C(=O)OCC)C[C@@H](CSC(=N)N)OC1=O 33358357 ABCDBOKKOWMMLP-BLLLJJGKSA-N 344.477 2.839 30 40 EFEB C=CCc1cccc(C(C)C)c1NC(=O)N1CC(NC(=O)COC)C1 252500397 SUOHDJLGZBEGCD-UHFFFAOYSA-N 345.443 2.517 30 40 EFEB C/C(=N/Nc1ncc(Br)cn1)c1ccc([N+](=O)[O-])cc1 4595571 NZDFPVSQAXBENE-PXNMLYILSA-N 336.149 2.983 30 40 EFEB COC(=O)C1=C(N)OC2=C(C(=O)CC(C)(C)C2)[C@H]1c1cccc(F)c1 62222 VJYVKZCFKBMULR-CQSZACIVSA-N 345.370 2.926 30 40 EFEB N#Cc1cccnc1N1CCC(CNC(=O)c2ccsc2)CC1 70929020 FFLJOGAOIJNGON-UHFFFAOYSA-N 326.425 2.661 30 40 EFEB N#Cc1ccc(OCc2ccc(S(=O)(=O)N3CCCC3)o2)cc1 40536219 KGYBCDRQDYHDTJ-UHFFFAOYSA-N 332.381 2.515 30 40 EFEB C=C(C)C[C@H]1N(c2ccc(F)cc2)C(=O)[C@H]2[C@@H](C(=O)O)[C@H]3C=C[C@@]21O3 100223701 WOALJGRKQHMPHP-FDQIELQPSA-N 343.354 2.532 30 40 EFEB C[C@@H](OC(=O)c1ccc(C#N)cc1)C(=O)Nc1ccc(Cl)cn1 3474447 QOEXNRJAXWIUQV-SNVBAGLBSA-N 329.743 2.791 30 40 EFEB CNC(=O)COc1ccc(CNc2c(F)cc(C#N)cc2F)cc1 65564938 SYQFERXNDHDJBD-UHFFFAOYSA-N 331.322 2.573 30 40 EFEB CCOC(=O)N1C/C(=C/c2cccnc2)C(=O)/C(=C/c2cccnc2)C1 7586948 PFQHCALZLOGCIC-BUOZRGFLSA-N 349.390 2.985 30 40 EFEB CCOc1cc(C#N)ccc1OCC(=O)Nc1ccc(C)cc1O 16229465 UGJWJQLWWATHAH-UHFFFAOYSA-N 326.352 2.989 30 40 EFEB N#Cc1ccc(OCC(=O)N2CCCc3cc([N+](=O)[O-])ccc32)cc1 16709309 OBGMPIDJNFNVDB-UHFFFAOYSA-N 337.335 2.825 30 40 EFEB N#CCn1cc(C(=O)N2CCC[C@H]2Cn2cccn2)c2ccccc21 72233928 YXRBGVAJWHFGMN-HNNXBMFYSA-N 333.395 2.666 30 40 EFEB CC[C@H](CS(=O)(=O)c1ccccc1)NC(=O)C1(C#N)CCCCC1 95434669 DBYYVZZEPQQXOR-OAHLLOKOSA-N 348.468 2.829 30 40 EFEB CSCCC/N=C(/NCc1ccco1)NCc1c(C)noc1C 95962611 XTIIHWANZXGIES-UHFFFAOYSA-N 336.461 2.873 30 40 EFEB N#Cc1ccc(F)cc1CN1CCN(C(=O)c2ccccc2F)CC1 95965737 TYMSGYUHKAGGBN-UHFFFAOYSA-N 341.361 2.794 30 40 EFEB CCn1cc(/C(O)=N/S(=O)(=O)c2c(Cl)cccc2Cl)cn1 89305829 LBTWXIJOISSNSI-UHFFFAOYSA-N 348.211 2.903 30 40 EFEB Cc1cc(F)c(Br)cc1S(=O)(=O)N(C)[C@H](C)CC#N 189947304 VSUFZMWBBSCRBQ-SECBINFHSA-N 349.225 2.819 30 40 EFEB Cc1ccc([C@@H]2[C@H](S(=O)(=O)c3ccc(C)cc3)[C@]2(C#N)C=O)cc1 218445117 PXQUULOJWGSJQP-CEXWTWQISA-N 339.416 2.952 30 40 EFEB Cc1cc(C)n(Cc2cccc(N[C@@H](C)C(=O)N(C)CCC#N)c2)n1 79030853 CMKAOIGJUBOFEY-INIZCTEOSA-N 339.443 2.721 30 40 EFEB Cc1ccc([C@H]2[C@@H](S(=O)(=O)c3ccccc3)[C@@]2(C#N)C=O)cc1 225657611 SZDNNPGDLFEIKU-KSZLIROESA-N 325.389 2.644 30 40 EFEB C=CCN1C(=O)CCC12CCC(NC(=O)c1ccc(C)nc1)CC2 96228569 NNQZUFFQZVXUFI-UHFFFAOYSA-N 327.428 2.610 30 40 EFEB N#Cc1ccccc1NC1CCN(C(=O)CCc2ccncc2)CC1 585130839 DFYLMSWTZPAXOC-UHFFFAOYSA-N 334.423 2.989 30 40 EFEB Cc1cc(C)n(CC(=O)Nc2ccc(C#N)cc2Br)n1 78996136 ILCGASDGKBINIF-UHFFFAOYSA-N 333.189 2.773 30 40 EFEB C/C(=N\NC(=S)NCc1ccccc1)c1cccc([N+](=O)[O-])c1 5119852 HNKKZGDFRHDULE-LDADJPATSA-N 328.397 2.983 30 40 EFEB C#CCn1/c(=N/C(=O)c2ccn(CC)n2)sc2c(C)cc(C)cc21 101068086 AIAJEVNMNMZQKV-HNENSFHCSA-N 338.436 2.910 30 40 EFEB Cc1nc(C)n(C[C@@H]2CCCCN2Cc2ccc(F)cc2C#N)n1 69597904 MBGZJZLDTGLTDI-SFHVURJKSA-N 327.407 2.960 30 40 EFEB CN(C(=O)CN1CCC[C@H](c2nc3ccccc3o2)C1)C(C)(C)C#N 29826568 YMNCMSUSBWYWNM-AWEZNQCLSA-N 340.427 2.768 30 40 EFEB CCc1ncncc1/C(O)=N/S(=O)(=O)c1c(C)c(C)cc(C)c1C 75799093 MUDBPZYRIOTATM-UHFFFAOYSA-N 347.440 2.966 30 40 EFEB COCCCNC(=O)[C@H](C#N)C(=O)c1cc2c(F)cccc2s1 103502874 GLCKXWJKELWWNU-LLVKDONJSA-N 334.372 2.516 30 40 EFEB N#Cc1c(NC(=O)[C@H]2C[C@H]2c2cccc(F)c2)nc2n1CCS2 78789141 OSOSMXXYKBQVJD-RYUDHWBXSA-N 328.372 2.742 30 40 EFEB N#Cc1cn(CCOC[C@@H]2CCCO2)c2ccc(Cl)cc2c1=O 78931861 JPGUZTNYVXHFSA-AWEZNQCLSA-N 332.787 2.722 30 40 EFEB C[C@@H](Oc1ccc(C#N)cc1)C(=O)Nc1ccccc1Cn1cncn1 55968881 URJKVQRKVUGIKK-CQSZACIVSA-N 347.378 2.604 30 40 EFEB COc1ccc([C@@H]2[C@H]3CCCC[C@@]3(O)CCN2CC#N)cc1OC 59299605 XIIIERLRZPQPKY-ATZDWAIDSA-N 330.428 2.895 30 40 EFEB CN1C(=O)/C(=C\c2nc(C#N)c(N3CCCCCC3)o2)SC1=S 5215419 ZNCPCSGPOSBQSK-DHZHZOJOSA-N 348.453 2.758 30 40 EFEB CN(Cc1ccc(Br)o1)C(=O)CNc1ccc(C#N)cc1 65620876 BSJVGESIERZHHO-UHFFFAOYSA-N 348.200 2.984 30 40 EFEB CCOC(=O)C1=C(C)NC(=O)[C@@H](C#N)[C@@H]1c1ccc(SC)cc1 4770795 YPAJFSODZRYGEU-ZFWWWQNUSA-N 330.409 2.599 30 40 EFEB C=CCOc1ccc(C(=O)Oc2cc(=O)n3cccc(C)c3n2)cc1 72427450 ZQGHJBCPTOONEE-UHFFFAOYSA-N 336.347 2.787 30 40 EFEB C=C(C)CN(CC)C(=O)Nc1ccc(F)cc1CS(C)(=O)=O 95414292 DVQNJNNLRUCRCN-UHFFFAOYSA-N 328.409 2.800 30 40 EFEB CCOC[C@]1(C#N)[C@@H](S(=O)(=O)CC)[C@@H]1c1ccc(Cl)cc1 218391144 ZIILAHBQBJDNEC-KKUMJFAQSA-N 327.833 2.787 30 40 EFEB C#CCOc1ccc(CN2C[C@@H]3CCCN3C[C@H]2C)cc1OCC 72324757 WJPAOBOBAWJFKI-AEFFLSMTSA-N 328.456 2.766 30 40 EFEB N#Cc1c(-c2ccccc2)nnn1Cc1nnc(C2CC2)n1C1CC1 1616034716 MODTZDJKLUOFIT-UHFFFAOYSA-N 331.383 2.669 30 40 EFEB Cc1ccc(NC(=O)/C=N/O[C@@H](C)C(=O)Nc2cc(C)on2)c(C)c1 15368569 QMJBDJOEYXRLDA-VVSAQIQQSA-N 344.371 2.568 30 40 EFEB N#Cc1nccnc1N1CCC(COc2ccncc2Cl)CC1 1889093035 GXPGQTSXMLMJTM-UHFFFAOYSA-N 329.791 2.692 30 40 EFEB N#Cc1nc(-c2ccco2)oc1N1CCN(CCc2ccncc2)CC1 40511249 DFFPDBHMTXUVEO-UHFFFAOYSA-N 349.394 2.566 30 40 EFEB C=C(C)C#C[C@@](O)(C(=O)O[C@H]1CN2CCC1CC2)C1CCCCC1 1640754 JMTZQKLHHPNCSG-ICSRJNTNSA-N 331.456 2.515 30 40 EFEB CCN1C(=O)[C@H](CC(=O)O)S/C1=N/c1cc(Cl)ccc1OC 107037604 ONFZGMYIMNHAQA-QPQCVSCISA-N 342.804 2.775 30 40 EFEB CC[C@H]1CN2CC[C@H]1C[C@@H]2CNC(=S)Nc1ccc(C#N)cc1 8254548 SRLGWCYJRDYROK-YQQAZPJKSA-N 328.485 2.965 30 40 EFEB biogenic,in-vitro Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N1CC[C@@H]2CCCC[C@H]2C1 52895177 XDUZWTSIYHKMOP-HOTGVXAUSA-N 341.455 2.835 30 40 EFEB CN1CC[C@@H](NC(=O)c2ccc(C#N)cn2)[C@H]1c1ccc(Cl)cc1 110696566 PIUVJWGREBGLGN-NVXWUHKLSA-N 340.814 2.782 30 40 EFEB N#Cc1ccc(CN(Cc2cccs2)[C@@H]2CCS(=O)(=O)C2)cc1 57896179 JUOVLCIFLUEMLU-MRXNPFEDSA-N 346.477 2.809 30 40 EFEB C#CCN(Cc1ccco1)C(=O)CCCc1ccc2c(c1)CC(=O)N2 69780337 NVWCGVMMWOMEHF-UHFFFAOYSA-N 336.391 2.759 30 40 EFEB CC(=O)N1CCCN(C(=O)c2ccccc2-c2ccccc2C#N)CC1 65499879 VFLHBMYNMCYZRT-UHFFFAOYSA-N 347.418 2.920 30 40 EFEB Cc1cccc2nc(CNC(=O)NCc3cc(C#N)ccc3F)cn12 72304213 FZNHSBAIEMZWDU-UHFFFAOYSA-N 337.358 2.653 30 40 EFEB CN(Cc1nc2ccccc2s1)c1ncnc2c1cnn2CCC#N 97200384 IJLJTEUVVDPAKR-UHFFFAOYSA-N 349.423 2.986 30 40 EFEB N#CCN1CCC(CNC(=O)[C@H]2C[C@@]23CCCc2ccccc23)CC1 95406956 KDNHVJJZRVFAIF-TZIWHRDSSA-N 337.467 2.632 30 40 EFEB CC(C)(C)[C@H](NC(=O)Cn1cnc(C#N)c1C#N)c1cccs1 126193256 BUCJSOACYQREQC-OAHLLOKOSA-N 327.413 2.592 30 40 EFEB N#Cc1cccc(N[C@H]2CO[C@@]3(CCN(Cc4ccsc4)C3)C2)n1 96047662 USPBKFNLMRPHCN-AEFFLSMTSA-N 340.452 2.860 30 40 EFEB Cc1cccc([C@H](C)CNC(=O)C(=O)Nc2ccc(F)c(C#N)c2)c1 96422107 BGDFFHGTVIZRKV-CYBMUJFWSA-N 339.370 2.864 30 40 EFEB N#Cc1nn(-c2ccc([N+](=O)[O-])cc2)nc1N1CCc2ccccc2C1 256047009 JPVCTBRVBCGQSE-UHFFFAOYSA-N 346.350 2.610 30 40 EFEB O=C(/C=C/c1ccc(O)c(O)c1)CC(=O)/C=C/c1ccc(O)c(O)c1 1651128 OJFGQVZAISEIPG-IJIVKGSJSA-N 340.331 2.764 30 40 EFEB in-vitro COC(=O)C1=C(C)Nc2sc(C#N)c(N)c2[C@@H]1c1ccncc1 9341227 YGRBIADPUPPQEV-GFCCVEGCSA-N 326.381 2.601 30 40 EFEB COc1cc(NCC(=O)N[C@@](C)(C#N)C(C)C)c(OC)cc1Cl 40461262 QSJISDJZROYMAX-INIZCTEOSA-N 339.823 2.824 30 40 EFEB COc1ccc(CNC(=O)[C@H](C)Oc2cccc(C#N)c2)cc1OC 52438506 ACJYBZYPXDIBQM-ZDUSSCGKSA-N 340.379 2.659 30 40 EFEB C[C@@](C#N)(NC(=O)COc1ccc(F)cc1Br)C1CC1 21605665 CZYXBDSJLCIIMC-AWEZNQCLSA-N 341.180 2.775 30 40 EFEB COC(=O)CC(=O)CSc1nc(-c2ccccc2)ccc1C#N 6368270 ZPKSESNHAIBUBX-UHFFFAOYSA-N 326.377 2.845 30 40 EFEB N#Cc1cccc(OCC(=O)NC[C@H]2CCN(c3ccccc3)C2)c1 52667665 WYCZTCHVUQPQID-QGZVFWFLSA-N 335.407 2.580 30 40 EFEB O=C(C[n+]1cccc(C(=O)c2ccccc2)c1)c1cccc([N+](=O)[O-])c1 3202963 YJBUDVHXPUZTQF-UHFFFAOYSA-N 347.350 2.996 30 40 EFEB N#Cc1ccc(C(=O)OCC(=O)NCc2ccc(F)cc2Cl)cc1 57471959 RFUBZGFDVNJKFS-UHFFFAOYSA-N 346.745 2.824 30 40 EFEB N#Cc1ccc(NC(=O)CSc2nnc(-c3ccco3)o2)cc1 3268720 WVISLHUTIGWZEW-UHFFFAOYSA-N 326.337 2.932 30 40 EFEB CN(C)c1ccccc1NC(=O)C1CCN(c2ccc(C#N)cn2)CC1 44911966 PEOUGOKKXCLTFT-UHFFFAOYSA-N 349.438 2.874 30 40 EFEB C[C@H]1CN(CC(=O)/C=C2/N(C)c3ccccc3C2(C)C)[C@H](C)CO1 48248361 WONFWFCZLMJUER-LILRULDKSA-N 328.456 2.976 30 40 EFEB N#Cc1ccc(N2CCC(C(=O)NCc3cccnc3)CC2)c(F)c1 91480791 YQQMRMRSCCTJSC-UHFFFAOYSA-N 338.386 2.625 30 40 EFEB Cc1ccc(S(=O)(=O)/N=C(\O)[C@H](C)OC[C@@H]2CCCCO2)s1 64099868 UBFQOWDICQYKFR-RYUDHWBXSA-N 347.458 2.676 30 40 EFEB Cc1ccc(C(=O)NC2(C#N)CCC3(CC2)OCCO3)cc1Cl 69876472 IQPLDZATDFSHGG-UHFFFAOYSA-N 334.803 2.958 30 40 EFEB C=CCN(Cc1cccs1)C(=O)CN1CCC[C@@H]1c1cnn(C)c1 69847101 ZHEJRNBLSNEBEN-QGZVFWFLSA-N 344.484 2.833 30 40 EFEB N#Cc1cccnc1NC[C@H]1CCN(c2cnc3ccccc3n2)C1 65474159 JDIMJKWSHONMJH-CQSZACIVSA-N 330.395 2.835 30 40 EFEB C=CCOc1ccc(C(=O)N2CCCC[C@H]2CN2CCCC2=O)cc1 69920843 HQFCRJNEVPXJEX-KRWDZBQOSA-N 342.439 2.869 30 40 EFEB Cc1ccc2c(c1C)OC[C@@H]2NS(=O)(=O)Cc1cccc(C#N)c1 71888412 PESQGALPMNUPLO-KRWDZBQOSA-N 342.420 2.728 30 40 EFEB N#Cc1ccc(C(F)(F)F)nc1N[C@H]1CCO[C@@]2(CCOC2)C1 95458049 VEWYVXWQOHGTLY-FZMZJTMJSA-N 327.306 2.722 30 40 EFEB CC(=O)N1CC[C@@H](NCc2cccc(OCCCC#N)c2)[C@H](C)C1 89937572 OOEVSGOUOVRPFU-DNVCBOLYSA-N 329.444 2.716 30 40 EFEB CC/C(=N/NS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1)c1ccccc1 34107050 OVVDLPZTWPDLQZ-ICFOKQHNSA-N 347.396 2.996 30 40 EFEB C=CCNC(=O)CSc1nc2cc(OCC)ccc2cc1C#N 35311860 DBRHXVXEHKCGEC-UHFFFAOYSA-N 327.409 2.899 30 40 EFEB C[C@@H](c1cccc(C#N)c1)N1CCN(CCO[C@H]2CCCCO2)CC1 225531865 PGVPDUWMMAECOX-PXNSSMCTSA-N 343.471 2.780 30 40 EFEB Cn1ncc(/C(O)=N/S(=O)(=O)c2ccsc2)c1-c1ccccc1 96491256 JGFSUFWABPOGFI-UHFFFAOYSA-N 347.421 2.842 30 40 EFEB N#CC1(C#N)[C@@H](c2cccnc2)O[C@]23CCCCC[C@@H]2[C@@]1(C#N)C(=N)O3 5927209 PWRHDKABVDIAPR-LTDCPUDJSA-N 347.378 2.981 30 40 EFEB C/C(=N\NS(=O)(=O)c1ccc(C)cc1)c1ccc([N+](=O)[O-])cc1 6275387 MSIJYMGYDIADFV-FOWTUZBSSA-N 333.369 2.606 30 40 EFEB COC(=O)CNC(=O)c1ccccc1Sc1ccccc1C#N 30772420 MSLXRUROEDPCDM-UHFFFAOYSA-N 326.377 2.612 30 40 EFEB C=CC[C@@H]1N(c2ccc(Cl)cc2)C(=O)[C@H]2[C@@H](C(=O)O)[C@H]3C=C[C@]21O3 4237657 WGDQBYXYDMCISA-SUKQMUEJSA-N 345.782 2.656 30 40 EFEB CC(C)[C@@H](NC(=O)c1ccccc1)C(=O)N(C)Cc1ccc(C#N)cc1 25114718 UCNIZGOQSLADFO-LJQANCHMSA-N 349.434 2.971 30 40 EFEB O=C1C[C@H](c2ccco2)CC2=C1[C@@H](c1ccccn1)n1ncnc1N2 22608655 CABOPSFYMHKHQG-PIGZYNQJSA-N 333.351 2.682 30 40 EFEB C=CCNC(=O)CN1c2ccccc2[C@H](C(=O)N[C@H](C)CC)C[C@@H]1C 58201541 COMBULIRYMFJFQ-HLLBOEOZSA-N 343.471 2.586 30 40 EFEB N#Cc1ccc(NC[C@H]2CCN(CCOc3cccc(C#N)c3)C2)nc1 65502521 CDDRPXRPCJAQHW-GOSISDBHSA-N 347.422 2.638 30 40 EFEB C=CCn1c(S[C@H](C)C(=O)OC)nc2ccc(Cl)cc2c1=O 5449901 RMOIHFFICIDHQM-SECBINFHSA-N 338.816 2.890 30 40 EFEB N#Cc1ccc(NCC2CCN(C[C@H](O)c3ccccc3)CC2)nc1 69779206 WMPZRFPESOZVGF-IBGZPJMESA-N 336.439 2.811 30 40 EFEB C[C@H](NC(=O)CC1CCCCC1)C(=O)N[C@@H](C#N)c1ccsc1 71847762 ACWIJQKPKIJCGN-WFASDCNBSA-N 333.457 2.904 30 40 EFEB COc1c([C@@H]2CCCN2CCOc2ccc(C#N)cc2)c(C)nn1C 72253649 YGQDVFNMTFOONW-KRWDZBQOSA-N 340.427 2.825 30 40 EFEB COc1cccc(C2(CNS(=O)(=O)CC3(C#N)CC3)CCCC2)c1 97144352 SPBKFPXFRAWGKF-UHFFFAOYSA-N 348.468 2.730 30 40 EFEB N#C[C@@]1(NC(=O)CCSc2cc(F)ccc2F)CCSC1 95394865 QCISUEXNJFCOTD-AWEZNQCLSA-N 328.409 2.962 30 40 EFEB N#Cc1cc(S(N)(=O)=O)ccc1NCc1ccc2ccccc2c1 95403111 QFUYNPDGZMCJGO-UHFFFAOYSA-N 337.404 2.971 30 40 EFEB COc1ccc(C#N)cc1CN1CCC[C@@H]1CC(=O)c1cnn(C)c1 95977653 KHYQGTWETGKONA-QGZVFWFLSA-N 338.411 2.538 30 40 EFEB Cc1cc(C)c(S(=O)(=O)Nc2ccc(F)c(C#N)c2)cc1C(=O)O 75572938 KHSFKLVMJCIGDR-UHFFFAOYSA-N 348.355 2.813 30 40 EFEB COc1ccccc1OCCN1C(=O)/C(=N\O)c2c(C)cccc21 46085131 GBCPVXWYHOLMHO-ZPHPHTNESA-N 326.352 2.608 30 40 EFEB CC(=O)[C@]1(O)CC[C@@H]2[C@H]3C[C@@H](O)C4=CC(=O)CC[C@]4(C)[C@@H]3CC[C@@]21C 254383274 BDQPONLPDKZVNG-KDSIWERNSA-N 346.467 2.809 30 40 EFEB C=CCn1cc(C=NN2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)c2ccccc21 254745603 XLWQJNOLXOZJFU-KODHJQJWSA-N 345.402 2.968 30 40 EFEB CC1(C)OB(c2cccn2C(=O)OCc2ccccc2)OC1(C)C 299803589 CEWNZPSKEYLZNH-UHFFFAOYSA-N 327.189 2.972 30 40 EFEB CC(=O)[C@]12O[C@H]1C[C@@H]1[C@H]3CCC4=CC(=O)CC[C@@]4(C)[C@@H]3[C@@H](O)C[C@]12C 584578786 XPOFTPYDSZJRKX-DQFVEZSESA-N 344.451 2.826 30 40 EFEB COc1cc(OC)c(OC)cc1/C=N/C[C@@H]1COc2ccccc2O1 2116374 PYMSSXKLRDHDOS-DGURAOSJSA-N 343.379 2.971 30 40 EFEB biogenic COc1ccc(CCN[C@@H](c2ccc(C#N)cc2)P(=O)(O)O)cc1 12949492 KNQNRJFWNMQEKV-QGZVFWFLSA-N 346.323 2.575 30 40 EFEB N#Cc1ccc(CN2CCC(COc3cnccn3)CC2)c(F)c1 1849689451 ZQKGGIMHDRUFSX-UHFFFAOYSA-N 326.375 2.778 30 40 EFEB O=[N+]([O-])c1cccc(/C=N/c2ccc(N3CCOCC3)cc2)c1O 354757 JBWJSWWVPRRRHP-LDADJPATSA-N 327.340 2.888 30 40 EFEB N#Cc1nccnc1O[C@H]1CC[C@H](NC(=O)c2ccc(F)cc2)CC1 245020809 MIFRXEKJNBODSR-SHTZXODSSA-N 340.358 2.607 30 40 EFEB Cc1nnc(NC(=O)CSc2nc3ccccc3cc2C#N)s1 1331020 DJXHDIBDYGCWNL-UHFFFAOYSA-N 341.421 2.997 30 40 EFEB CCCNc1c(N/C(O)=N/CCCOC)c(=O)oc2ccccc12 28048822 RFXPIEAQUBZEDD-UHFFFAOYSA-N 333.388 2.977 30 40 EFEB N#CCN(Cc1ccccc1)C(=O)c1ccc(-c2ccncc2)[nH]c1=O 58327105 WZKZIFYYMVLSOM-UHFFFAOYSA-N 344.374 2.603 30 40 EFEB N#Cc1cccc(NC(=O)Cn2cc(-c3ccc([N+](=O)[O-])cc3)cn2)c1 69977278 UTGGMYGDQPQAFZ-UHFFFAOYSA-N 347.334 2.969 30 40 EFEB N#Cc1ccc(Cl)cc1NS(=O)(=O)c1cccc(C(=O)O)c1 13011944 MRBJPYWQGASDIZ-UHFFFAOYSA-N 336.756 2.711 30 40 EFEB CN(C)c1ccc(/C=N/Nc2nnc(-c3ccccc3)c(O)n2)cc1 4158754 DDCKLQRUXJEGOO-XDHOZWIPSA-N 334.383 2.756 30 40 EFEB Cc1cc(C(=O)Cn2cnc(C#N)n2)c(C)n1Cc1cccs1 14143439 MAQNCOSMZZJCCI-UHFFFAOYSA-N 325.397 2.561 30 40 EFEB O=[N+]([O-])c1cccnc1N/N=C/c1cc(Br)ccc1O 4675270 RYGDDFFVLCIJBH-VIZOYTHASA-N 337.133 2.904 30 40 EFEB CCNCC#CCOC(=O)[C@](O)(c1ccccc1)C1CCCCC1 5852926 SNIBJKHIKIIGPR-FQEVSTJZSA-N 329.440 2.611 30 40 EFEB world COC(=O)c1ccc(-n2c(C)cc(/C=N/n3cnnc3)c2C)c(C)c1 408936309 PCPLQINNGOKZEH-ZVBGSRNCSA-N 337.383 2.663 30 40 EFEB C/N=C(\NCCc1ccncc1C)N[C@@H](C)c1ccccc1OC 95438565 VRELJIUXSCFPGJ-HNNXBMFYSA-N 326.444 2.867 30 40 EFEB COC1=CC(=O)C[C@@H](C)[C@]12Oc1c(Cl)c(OC)cc(O)c1C2=O 33986284 KTICLSBYPHKDMM-QZTNRIJFSA-N 338.743 2.507 30 40 EFEB in-vitro CCS(=O)(=O)c1cnc(S)c(C#N)c1-c1ccc([N+](=O)[O-])cc1 96510090 YFSCPSDXRSRNQK-UHFFFAOYSA-N 349.393 2.611 30 40 EFEB C=CCOC[C@]12CCCO[C@@H]1CCN(C(=O)c1cc(C)[nH]c1C)C2 96039736 YOGJNZGAJJGADJ-IEBWSBKVSA-N 332.444 2.845 30 40 EFEB CCC[C@H](C#N)NC(=O)[C@@H]1Cc2ccccc2O[C@H]1C(F)(F)F 602296980 MMSWXMRQDHBTSU-YRGRVCCFSA-N 326.318 2.977 30 40 EFEB C#Cc1cccc(N(C(=O)Cc2ccc(-n3cnnn3)cc2)C(C)C)c1 69870448 UTMKNUNTOKBSFH-UHFFFAOYSA-N 345.406 2.628 30 40 EFEB Cn1cc([C@H]2CCCN2CCC(=O)Nc2sccc2C#N)cn1 69972283 GWCMADPYTRKARY-CQSZACIVSA-N 329.429 2.519 30 40 EFEB O=C1Nc2ccccc2/C1=N/N=C/c1cc(Br)ccc1O 160821 YUUOZECVZZSAST-CAOOACKPSA-N 344.168 2.930 30 40 EFEB C[C@@H](NC(=O)NCc1ccnc(-n2cccn2)c1)c1ccc(C#N)cc1 31124222 JLKANNBJLJBWEX-CQSZACIVSA-N 346.394 2.699 30 40 EFEB COc1ccc(CN2CCN(C(=O)C3(C#N)CCCC3)CC2)cc1F 32233724 WAJCNVOCNNBWCT-UHFFFAOYSA-N 345.418 2.562 30 40 EFEB CCOc1cc(/C=N/c2ccc(N(C)C)cc2)ccc1OCC(N)=O 361103 SRJGAABBTKMMCT-CIAFOILYSA-N 341.411 2.766 30 40 EFEB C=CCOC(=O)C1=C(C)Nc2ncnn2[C@H]1c1ccc(Cl)cc1 4071538 GCXQYOHPXRJFDA-AWEZNQCLSA-N 330.775 2.950 30 40 EFEB C[C@@H](C(=O)NC1CCCC1)N1CCCN(c2ccccc2C#N)CC1 52801043 YGQQEPRYOXQSSV-INIZCTEOSA-N 340.471 2.518 30 40 EFEB NC(=O)c1ccc(CO/N=C(/N)c2cccc(C(F)(F)F)c2)cc1 54181970 JYYHTNQZDCOKGS-UHFFFAOYSA-N 337.301 2.641 30 40 EFEB N#Cc1ccc(N2CCN(c3cnccn3)CC2)cc1C(F)(F)F 70040273 WRXDQYXNYGWURT-UHFFFAOYSA-N 333.317 2.694 30 40 EFEB O=C(O)C[C@@H]1S/C(=N/N=C\c2ccco2)N(c2ccccc2)C1=O 100142644 IYIYQTSVISWHQU-PQNKOENISA-N 343.364 2.593 30 40 EFEB N#Cc1ccc([C@@H]2[C@H](C(=O)O)CC(=O)N2CCc2ccccc2)cc1 69493752 MHRAEHAOQNBWQS-IEBWSBKVSA-N 334.375 2.775 30 40 EFEB C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CN(C)CC4OCCO4)[C@H]3C[C@@H]12 61997586 DRPJZGANZIVCHP-ISIBIEBGSA-N 349.471 2.605 30 40 EFEB biogenic Cn1cc([C@@H]2CCCN2CCC(=O)Nc2sccc2C#N)cn1 69972279 GWCMADPYTRKARY-AWEZNQCLSA-N 329.429 2.519 30 40 EFEB CC/N=C1\S[C@@H](CC(=O)Nc2cccc(OCC)c2)C(=O)N1CC 4700751 VMXWRPKZJJHCOS-DNZUHHBVSA-N 349.456 2.754 30 40 EFEB N#Cc1cc(N[C@H]2CCCN(C(N)=O)C2)nc2ccc(Cl)cc12 97108328 OVWGFQXLBQUSFH-LBPRGKRZSA-N 329.791 2.715 30 40 EFEB C#CCNC(=O)[C@@H](C)Sc1cc(Br)ccc1OC 89478430 BGQOKMQBGKIZIZ-SECBINFHSA-N 328.231 2.688 30 40 EFEB Cc1cc(Cl)ccc1NC(=O)CO/N=C(/N)Cc1cccnc1 89589124 MYJRTXMPLOCVDP-UHFFFAOYSA-N 332.791 2.513 30 40 EFEB C=CCNc1ncc(C(=O)Nc2n[nH]c3ccc([N+](=O)[O-])cc23)s1 89887964 VOHJOIRHCPBKQB-UHFFFAOYSA-N 344.356 2.778 30 40 EFEB C[C@@H](NC(=O)N1CCc2ccccc2[C@H]1CO)c1cccc(C#N)c1 89905162 VJURVEYQKNIUKG-AUUYWEPGSA-N 335.407 2.921 30 40 EFEB C[C@H]1CCCC[C@@]12NC(=O)N(Cc1cn3ccccc3c1C#N)C2=O 40040803 AQEQVKRKBIRJKX-ORAYPTAESA-N 336.395 2.812 30 40 EFEB O=S(=O)(/N=C(\O)[C@@H]1CC=CCC1)c1cnn(Cc2ccccc2)c1 96452593 NJJQSSLLOWTUSP-OAHLLOKOSA-N 345.424 2.933 30 40 EFEB C=CCNc1nc(C(=O)OCC(=O)NCCC2=CCCCC2)cs1 3568766 LKBOREIOUGRKDR-UHFFFAOYSA-N 349.456 2.905 30 40 EFEB N#Cc1ccsc1NC(=O)COc1ccc(N2CCCC2=O)cc1 16961740 TXCLVHDPNYBKFF-UHFFFAOYSA-N 341.392 2.764 30 40 EFEB C=CCN1C(=O)CCC12CCC(NC(=O)CCc1ccc[nH]1)CC2 1565556055 LTUYGZUWLNDQNX-UHFFFAOYSA-N 329.444 2.553 30 40 EFEB CC(=O)C1=C(O)C(=O)N(Cc2cccnc2)[C@H]1c1ccc(F)cc1 78107 BRIJSVYAVZOMQN-INIZCTEOSA-N 326.327 2.705 30 40 EFEB CC(=O)N(CCC(=O)N[C@H](C#N)c1ccsc1)Cc1ccccc1 69845970 OBOSDCUQPLICNT-QGZVFWFLSA-N 341.436 2.868 30 40 EFEB Cn1ncc(/N=C/c2ccc(F)cc2)c1C(=O)NCc1ccco1 2798318 SCKOQTVPKZWSRV-DJKKODMXSA-N 326.331 2.833 30 40 EFEB COC(=O)C[C@H]1CCCCN1CC(=O)Nc1ccc(C#N)c(Cl)c1 54394363 PSCQDVPMSAAEQW-CQSZACIVSA-N 349.818 2.568 30 40 EFEB CS(=O)(=O)N(CCOc1ccc(F)cc1)c1cccc(C#N)c1 23617339 IAVXENHHCVNTBH-UHFFFAOYSA-N 334.372 2.542 30 40 EFEB COc1cc([C@@H](C)Nc2nnc(C)c(C)c2C#N)ccc1OCCO 44977069 MJFVIPOYORDBKQ-CYBMUJFWSA-N 342.399 2.518 30 40 EFEB O=C1/C(=C/c2cccs2)Oc2c1ccc(O)c2CN1CCOCC1 2207037 NVHXGLKOTSOFGS-YBEGLDIGSA-N 343.404 2.902 30 40 EFEB C=CCc1ccccc1OC[C@@H](O)CN1CCC(c2cn[nH]c2)CC1 65464280 RGRSMCYGKUBAFB-IBGZPJMESA-N 341.455 2.758 30 40 EFEB C=CCOc1ccc(/C=C2\NC(=S)N(CC)C2=O)cc1OCC 409005569 FXAOYMYBBFUKIE-RAXLEYEMSA-N 332.425 2.728 30 40 EFEB CN(C)CCNC(=O)c1cccc(CNc2cccc(F)c2C#N)c1 66816512 PHZVCTIZWPIGDI-UHFFFAOYSA-N 340.402 2.601 30 40 EFEB N#Cc1ccc(NC(=O)C(=O)N2CC[C@H](c3cccc(F)c3)C2)cc1 71859265 HTHBEXQCQHXJFP-HNNXBMFYSA-N 337.354 2.652 30 40 EFEB CCOC1CCN(C(=O)c2c(C)oc(-n3cccc3)c2C#N)CC1 71820672 QPEXWNVDTWPVQK-UHFFFAOYSA-N 327.384 2.892 30 40 EFEB CCc1cc(NS(=O)(=O)c2ccc(C#N)cc2Cl)nc(C)n1 97140403 ZKSZOJXEXMNDOQ-UHFFFAOYSA-N 336.804 2.673 30 40 EFEB COC(=O)c1ccc(/N=C/c2ccc(N3CCOCC3)o2)c(C)c1 409013933 OPTLLXCJVUARNU-XDHOZWIPSA-N 328.368 2.962 30 40 EFEB Cc1nc(C)c(S(=O)(=O)/N=C(\O)[C@H]2C[C@@H]2c2ccco2)s1 96446949 MTPZKXPUJRSSDH-UWVGGRQHSA-N 326.399 2.802 30 40 EFEB C[C@@H](C(=O)Nc1ccccc1C#N)N(C)Cc1nccn1C(F)F 96443500 NSUBZWHRLZYDLG-NSHDSACASA-N 333.342 2.609 30 40 EFEB N#C[C@H](C(=O)NC1CC1)C(=O)[C@H]1C[C@H]1c1cccc(C(F)(F)F)c1 245339410 SOACJDFEQJYOHK-IHRRRGAJSA-N 336.313 2.796 30 40 EFEB C#CCCCC(=O)Nc1nc(C(=O)OCC)c(Br)s1 585126196 ROYHDXMNGVKLEG-UHFFFAOYSA-N 345.218 2.824 30 40 EFEB CCOc1cc(/C=C2/C(=O)ON=C2C)cc(Br)c1O 94764 KMWVKLKQXPVEIU-RUDMXATFSA-N 326.146 2.870 30 40 EFEB Cc1ccc(C#N)c(N2CCN(c3ncnc4sccc34)CC2)n1 160481326 XFBRBSIBMQABCO-UHFFFAOYSA-N 336.424 2.593 30 40 EFEB C=CCOC[C@H]1CN(CCc2ccccc2)Cc2nnn(CC)c21 2055747758 UWMZWEUZWCQFJQ-QGZVFWFLSA-N 326.444 2.643 30 40 EFEB COc1ccc(/C=N/[C@@H](C)CNS(=O)(=O)c2ccc(C)cc2)cc1 102547862 QUKRVYVFLFFLAD-SJPXOZHESA-N 346.452 2.790 30 40 EFEB C[C@H](Oc1ccccc1C#N)/C(O)=N/c1nc(-c2ccccn2)n[nH]1 53526779 KRCTWADXMFOYKJ-NSHDSACASA-N 334.339 2.794 30 40 EFEB CC(C)Oc1ccc(C#N)cc1NC(=O)[C@@H]1[C@@H](C(=O)O)[C@H]2C=C[C@H]1C2 103767873 JZFWPXOPVURGOW-PYTWLRIVSA-N 340.379 2.807 30 40 EFEB C[C@]12C[C@@H](O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@@]43C)[C@@H]1CC[C@]21OCC1=O 118936511 RCHAJOCTTNTLHW-IJKQGUKSSA-N 342.435 2.603 30 40 EFEB O=[N+]([O-])c1cc(/C=N/Nc2nc3ccccc3[nH]2)cc([N+](=O)[O-])c1 408918474 KZKNSCNFRMBDAH-OVCLIPMQSA-N 326.272 2.825 30 40 EFEB C/N=C1/S[C@H](CC(=O)Nc2cccc3ccccc23)C(=O)N1C 12624260 ZOTZOKJSBDKOAG-IAFNSTAXSA-N 327.409 2.728 30 40 EFEB N#Cc1cccc(CN(Cc2cccs2)[C@@H]2CCS(=O)(=O)C2)c1 48234745 IKQNUJGRAWDFBT-MRXNPFEDSA-N 346.477 2.809 30 40 EFEB Cc1ccccc1C(=O)CN1C(=O)N[C@](C)(c2ccc(C#N)cc2)C1=O 48354408 KESHNRSJKFDKAS-HXUWFJFHSA-N 347.374 2.517 30 40 EFEB N#Cc1cccc(NC(=O)COC(=O)Cc2ccc(Cl)cc2)c1 5613894 VZGQSOWXLILMSZ-UHFFFAOYSA-N 328.755 2.936 30 40 EFEB CN(CCOc1ccc(Cl)cc1)CC(=O)NC1(C#N)CCCC1 5937919 BJRYJDMSQFJTLC-UHFFFAOYSA-N 335.835 2.603 30 40 EFEB N#Cc1nccnc1N1CCN([C@H](c2ccccc2)C(F)(F)F)CC1 95396201 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COc1ccc(C(=O)/C=C2/Nc3ccc([N+](=O)[O-])cc3OC2=O)cc1 100338360 MRSUNNBJSWKJHT-NTEUORMPSA-N 340.291 2.701 30 40 EFEB CSc1ncccc1C(=O)OCC(=O)Nc1sccc1C#N 3509959 ACDCMVBDPPOBCN-UHFFFAOYSA-N 333.394 2.532 30 40 EFEB C#CCOc1ccc(F)cc1NC(=O)N1CCC[C@@H](c2ncc[nH]2)C1 96435296 SCPQKJUIGLPIHN-CYBMUJFWSA-N 342.374 2.972 30 40 EFEB CS(=O)(=O)c1ccc(C(=O)N(CCC#N)c2ccc(F)cc2)cc1 71893407 LBGLZLAQROVIKB-UHFFFAOYSA-N 346.383 2.790 30 40 EFEB N#Cc1ccc(OCC(=O)Nc2ccccc2N2CCCC2=O)cc1 9653652 CNDBMPLLKRIKTI-UHFFFAOYSA-N 335.363 2.703 30 40 EFEB Cc1cc(N2CCN(c3ncccc3Cl)CC2)c(C#N)c(C)n1 84076911 PYXFNLOJWKZSPU-UHFFFAOYSA-N 327.819 2.945 30 40 EFEB N#Cc1cc(NC(=O)NCc2ccon2)ccc1OCC(F)(F)F 84350528 BMMHWBXEPWJFRS-UHFFFAOYSA-N 340.261 2.809 30 40 EFEB C=C[C@@H](C)[C@@H](NC(=O)c1ccc(Br)c(F)c1)C(=O)OC 95459599 JMWJMCSEJYFOTP-PRHODGIISA-N 344.180 2.682 30 40 EFEB COc1ccc([C@@H]2[C@@H](C=O)[C@@H]2S(=O)(=O)c2ccc(C)cc2)cc1 218115147 HNVVXYXHMCZPPI-KURKYZTESA-N 330.405 2.758 30 40 EFEB C[C@@H](C#N)CN(C)Cc1cc2c(cc1Br)OCCO2 49001115 DJAFVAUZUGZZKH-JTQLQIEISA-N 325.206 2.812 30 40 EFEB C=CCOc1ccccc1C(=O)NCC(C)(C)[C@]1(O)CCCOC1 585113887 POXSVCUAUREGMY-IBGZPJMESA-N 333.428 2.549 30 40 EFEB N#C[C@]1(CO)[C@H](c2ccccc2)[C@H]1S(=O)(=O)c1ccc(Cl)cc1 242574950 NLPBNIVXKUFUDM-ZACQAIPSSA-N 347.823 2.782 30 40 EFEB COc1ccccc1OCC#CCNC(=O)c1ccc(F)c(F)c1 90610363 DRTXBFZAVNNDSS-UHFFFAOYSA-N 331.318 2.786 30 40 EFEB C#CCOc1ccccc1CN(C)C(=O)c1cc(C(C)C)n(C)n1 95405770 QAWPWEMQPHKGIV-UHFFFAOYSA-N 325.412 2.828 30 40 EFEB CC(C)CCNc1c(C#N)c2c(c3nncn13)CN(C(C)C)CC2 20677881 ZOHZYSPOCVSHKF-UHFFFAOYSA-N 326.448 2.825 30 40 EFEB C=CCOc1cccc(NC(=O)N[C@H]2[C@H]3CC[C@@H](C3)[C@H]2C(=O)OC)c1 101509657 XKDDIFSHBOCOMS-CLROSIBMSA-N 344.411 2.961 30 40 EFEB COc1ccc(C[C@@H](C#N)C(=O)Nc2cccc(C)n2)cc1OC 419801 NXLNPCKNGUKDSL-AWEZNQCLSA-N 325.368 2.728 30 40 EFEB N#Cc1cc(NCCCNc2ncccn2)nc2ccc([N+](=O)[O-])cc12 76062692 SSSJSSWCHGWDPV-UHFFFAOYSA-N 349.354 2.719 30 40 EFEB CC1(C)CC(=O)C2=C(C1)OC(N)=C([N+](=O)[O-])[C@@H]2c1ccc(C#N)s1 4476368 DJQPANGAHQCECF-CYBMUJFWSA-N 345.380 2.781 30 40 EFEB Cc1nn(CCC(=O)Nc2ccc(Cl)cc2F)c(=O)c(C#N)c1C 12817985 GLLXMUXURIWQGH-UHFFFAOYSA-N 348.765 2.553 30 40 EFEB COc1c2c(cc3c1[C@@H](Nc1ccccc1C#N)N(C)CC3)OCO2 4000501 CTFGTJIDRGRBCD-IBGZPJMESA-N 337.379 2.894 30 40 EFEB biogenic Cc1cc(C)nc(-n2ncc(C#N)c2NC(=O)/C=C/c2ccccc2)n1 6669584 PFLOWSKJKOTBFA-CMDGGOBGSA-N 344.378 2.803 30 40 EFEB Cc1csc([C@H](C#N)C(=O)CSc2nnnn2C2CCCC2)n1 8075214 QNOCAIXPRCIJOM-LLVKDONJSA-N 348.457 2.522 30 40 EFEB C[C@@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)c1ccc(C#N)cc1 71890132 JVBNKHGHHSWJTP-CYBMUJFWSA-N 329.400 2.640 30 40 EFEB O=[N+]([O-])[C@@H]1C[C@H]1/C(O)=N/S(=O)(=O)c1ccc(-c2ccccc2)cc1 78989184 HRPJCARKKAZIOU-HUUCEWRRSA-N 346.364 2.664 30 40 EFEB CCN1CCN(C[C@H](C)CNc2ccc3cc(C#N)ccc3n2)CC1 195575065 APWIBCMBXOVBTF-MRXNPFEDSA-N 337.471 2.792 30 40 EFEB N#Cc1c[nH]c(C(=O)NCc2nccn2CCCc2ccccc2)c1 81933089 JJPYVMLVTQORTQ-UHFFFAOYSA-N 333.395 2.646 30 40 EFEB C=CCN1CC[C@H](Sc2nnc(CCc3ccccc3)o2)C1=O 225571792 AOLHVBGSZNXJSR-AWEZNQCLSA-N 329.425 2.734 30 40 EFEB CCCNc1ccc(C#N)cc1NC(=O)CCCCN1CCOCC1 95412983 QUGFIWATWKHTPA-UHFFFAOYSA-N 344.459 2.821 30 40 EFEB C#CCCCC(=O)Nc1nccc(F)c1I 585126262 UKQISFMYWFXIJN-UHFFFAOYSA-N 332.116 2.567 30 40 EFEB N#C[C@]1(N)[C@H](c2ccc(Cl)cc2)[C@H]1S(=O)(=O)c1ccccc1 252516359 SEXBEOZDBGOYQP-OAGGEKHMSA-N 332.812 2.501 30 40 EFEB C=CC/N=C1\S[C@@H](CC)C(=O)N1S(=O)(=O)c1ccc(C)cc1 18036742 ZJDWCHRJZCPTOP-PVEMMZBWSA-N 338.454 2.580 30 40 EFEB C=CCN(Cc1cccs1)C(=O)c1ccc(-c2nnn[nH]2)cc1 40464683 CSLGPGRXVIFYDH-UHFFFAOYSA-N 325.397 2.757 30 40 EFEB O=C(C[C@H]1S/C(=N\C2CCCCC2)NC1=O)NCc1ccccc1 21133144 HUGDHDNEPUKJCW-OAHLLOKOSA-N 345.468 2.613 30 40 EFEB C=CCn1c(=O)c2ccccc2n2c(=S)n(CN(CC)CC)nc12 12554628 GZBVKKKYALYWPY-UHFFFAOYSA-N 343.456 2.665 30 40 EFEB Cc1ccc2oc(N3CCN(c4nnc(C)c(C)c4C#N)CC3)nc2c1 105790407 JFTFBYMTYSPMIH-UHFFFAOYSA-N 348.410 2.741 30 40 EFEB C=CCNC(=S)N/N=C/c1cc2ccc(OC)cc2nc1Cl 3281852 MDKKNSXVOXIKPV-GIJQJNRQSA-N 334.832 2.881 30 40 EFEB COc1cc(/C=C/C(=O)N(CC#N)CC#N)ccc1OCC(C)C 57684080 VDIDKRVXHYQOJF-FNORWQNLSA-N 327.384 2.619 30 40 EFEB Cc1cnn(C[C@@H]2CCCN2CCC(=O)Nc2sccc2C#N)c1 70040499 UZJVJWUKHIRIIL-HNNXBMFYSA-N 343.456 2.618 30 40 EFEB C(=N/Nc1nncc2ccccc12)\c1ccc(N2CCOCC2)cc1 5119689 JUQNYDSCGATJCI-DEDYPNTBSA-N 333.395 2.912 30 40 EFEB O=[N+]([O-])c1cccc(N/N=C/c2ccc(N3CCOCC3)cc2)c1 4866802 NNRLZDQFBNPUON-QGOAFFKASA-N 326.356 2.877 30 40 EFEB C=CCN(CC=C)C(=O)COC(=O)c1cc(Cl)cc(Cl)c1N 7814388 LFWMJCBIFQTGJE-UHFFFAOYSA-N 343.210 2.933 30 40 EFEB C#CCNC(=O)CC(=O)N[C@@H](c1ccccc1)c1ccc(Cl)cc1 97235698 RLSLAJAVLLHYOG-IBGZPJMESA-N 340.810 2.685 30 40 EFEB Cc1nc(-c2ccccc2I)n(CCC#N)n1 95974833 YTVYQLDKNJIREB-UHFFFAOYSA-N 338.152 2.772 30 40 EFEB O=[N+]([O-])c1cc(/C=N\Nc2ccccc2)ccc1N1CCOCC1 409008342 WEWMDSKYYDJXNL-AQTBWJFISA-N 326.356 2.877 30 40 EFEB COc1cc(/C=N/c2cccc(C(=O)O)c2)ccc1O[C@@H](C)C(=O)O 409010520 KUNDXZTTXYAIOR-VSMYLPJWSA-N 343.335 2.996 30 40 EFEB COc1cccc(S(=O)(=O)/N=C(\O)[C@](C)(OC)c2ccccc2)c1 78611967 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30 40 EFEB C#CCNC(=O)N1CCC[C@H](c2nc(-c3ccc(Cl)cc3)no2)C1 69619013 STVHBGZMRRQFSR-ZDUSSCGKSA-N 344.802 2.912 30 40 EFEB N#CCCn1ncc2c(Nc3ccc(N4CCCC4=O)cc3)ncnc21 97200067 RKQQKPVMMJHCFP-UHFFFAOYSA-N 347.382 2.610 30 40 EFEB CCN(CC)CCOC1CCN(C(=O)Nc2cccc(C#N)c2)CC1 72931276 BDUODTIMDUFCNQ-UHFFFAOYSA-N 344.459 2.913 30 40 EFEB C[C@]12C=CC(=O)C=C1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@]2(O)C(=O)CO 13509538 BVAYTJBBDODANA-OBQKJFGGSA-N 344.451 2.587 30 40 EFEB biogenic,in-vitro Cc1nnc(SCC(=O)Nc2sc3c(c2C#N)CCCC3)[nH]1 5677432 QICAMTNDPPZFHU-UHFFFAOYSA-N 333.442 2.656 30 40 EFEB C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)CCC1CCCCC1 160936673 FRFCRPVAGJFMBR-OAHLLOKOSA-N 341.459 2.746 30 40 EFEB Cc1nc(C)c(CN2C[C@@H]3CN(c4ncccc4C#N)C[C@H]3C2)s1 2086934247 BZROVMQUZWCEJZ-HZPDHXFCSA-N 339.468 2.595 30 40 EFEB CCn1c(=O)c2ccccc2n2c(COc3ccccc3C#N)nnc12 31556767 PWOCMKVAGIFVNP-UHFFFAOYSA-N 345.362 2.515 30 40 EFEB Cc1nc(C)n(C[C@H]2CCCCN2CCOc2ccc(C#N)cc2)n1 69875295 ACBSOESOOJCIAY-GOSISDBHSA-N 339.443 2.700 30 40 EFEB COC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1cnn(C)c1C 102605490 NKOOPOUKMOBSMY-INIZCTEOSA-N 343.427 2.506 30 40 EFEB N#Cc1cccc(CNC(=O)Nc2nnc(-c3ccccn3)s2)c1 47790577 KAEWOQDORJMDPS-UHFFFAOYSA-N 336.380 2.793 30 40 EFEB C=CCN(CCc1ccccc1)C(=O)c1ccc(S(C)(=O)=O)cc1 58168345 FGJFIPUUTMIERC-UHFFFAOYSA-N 343.448 2.961 30 40 EFEB COc1ccc(/C=C/C(=O)OCC(=O)Nc2cccc(C#N)c2)cc1 3391703 XUCHAQFXKHYLNO-JXMROGBWSA-N 336.347 2.762 30 40 EFEB C=CCNC(=O)N1CCC[C@H](c2nc(-c3ccc(F)cc3)no2)C1 65607593 SULOQAFQKPINMW-ZDUSSCGKSA-N 330.363 2.951 30 40 EFEB Cc1ccc(N2CC(=O)C(c3nc4ccccc4n3C)=C2N)c(C)c1 4749806 ZAKNVPUVVMPAEL-UHFFFAOYSA-N 332.407 2.907 30 40 EFEB CC[C@@H]1CCCN(C(=O)NC2CCN(c3ccc(C#N)cn3)CC2)C1 67090587 AMCCMYFOAFUAAX-OAHLLOKOSA-N 341.459 2.754 30 40 EFEB C#Cc1cccc(N(Cc2ccco2)S(=O)(=O)C[C@H]2CCCO2)c1 71909460 QFGUIBAXXSCCSL-GOSISDBHSA-N 345.420 2.776 30 40 EFEB N#C[C@@H](NC(=O)c1n[nH]c2ccccc2c1=O)c1cccc(Cl)c1 72287880 DYLWNQVAHQQRAA-CQSZACIVSA-N 338.754 2.571 30 40 EFEB N#CCc1cccc(C(=O)NC[C@@H](c2cccnc2)N2CCCC2)c1 84364214 SSEZNUKOVUCYFK-IBGZPJMESA-N 334.423 2.715 30 40 EFEB CSc1[nH]c(=O)c(C(=O)N2CCC[C@H]2C2CCCC2)cc1C#N 89493797 ADGKDQVOQKYBCB-AWEZNQCLSA-N 331.441 2.763 30 40 EFEB CCO[C@@H]1C[C@H](/N=C(/O)N2CCCC[C@@H]2c2cn[nH]c2)[C@]12CCCO2 329441456 AMDJARHWSHQQHB-KYHPRHEASA-N 348.447 2.577 30 40 EFEB C[C@H](CC(=O)N1CCN([C@@H](C#N)c2ccccc2)CC1)c1ccncc1 97379015 GHSKRBYYJXXIQG-XLIONFOSSA-N 348.450 2.984 30 40 EFEB C=CCN1C[C@@H]2CN(Cc3cccc(F)c3)CCC[C@]2(C(=O)O)C1 96185192 AXVFKTCKUKEXIC-LPHOPBHVSA-N 332.419 2.610 30 40 EFEB Cn1nc(C(=O)N2CCC[C@](C#N)(c3ccccn3)C2)c2ccccc21 529519319 QCEORECHAOCFDH-HXUWFJFHSA-N 345.406 2.666 30 40 EFEB N#Cc1nccnc1O[C@H]1CCN(C(=O)CCC2CCCCC2)C1 225798964 TYSWAIUKFSRYAT-HNNXBMFYSA-N 328.416 2.688 30 40 EFEB O/C(CCc1ccc2c(c1)OCO2)=N\c1nc(C(F)(F)F)n[nH]1 40493750 IBMUFNGABGPKSS-UHFFFAOYSA-N 328.250 2.773 30 40 EFEB C[C@@H](NC(=O)CC1CCCCC1)C(=O)N[C@@H](C#N)c1ccsc1 71847763 ACWIJQKPKIJCGN-DOMZBBRYSA-N 333.457 2.904 30 40 EFEB CC(=O)N1CCc2cc(C(=O)[C@@H](C#N)c3nc4ccccc4[nH]3)ccc21 41495496 IFJRMENDIURBGJ-OAHLLOKOSA-N 344.374 2.962 30 40 EFEB CN1C(=S)SC(C)(C)[C@H]1/[N+]([O-])=C/c1ccc([N+](=O)[O-])cc1 1309761 CJDCUEUQJDOLDW-SHLUWWQESA-N 325.415 2.592 30 40 EFEB Cc1nn(Cc2cn3cc(Cl)cc(Cl)c3n2)c(=O)c(C#N)c1C 58213779 DGZVYMOVHGDPQE-UHFFFAOYSA-N 348.193 2.735 30 40 EFEB N#CCNC(=O)CN[C@H](c1ccc(Br)cc1)C1CCC1 95984555 XHCRDAFGWQPLJQ-HNNXBMFYSA-N 336.233 2.520 30 40 EFEB N#CCCN(CC1CC1)C(=O)Nc1ccc(N2CCCC2=O)cc1 78468658 YHDNVIVBRYNOFJ-UHFFFAOYSA-N 326.400 2.971 30 40 EFEB O=c1sc2c(n1C[C@@H]1CO1)SC[C@@H]1COc3ccccc3[C@@H]21 32597587 CVHMRDCNMUHILY-CWSCBRNRSA-N 333.434 2.555 30 40 EFEB N#Cc1ccc(Oc2cnc(C#N)cn2)c(I)c1 225577190 POSDSJGOVCHQSL-UHFFFAOYSA-N 348.103 2.617 30 40 EFEB N#Cc1ccc(N2C[C@]3(CCN(Cc4cccnc4)C3)CC2=O)cc1 96238840 FCJXYTMYNKXCKD-HXUWFJFHSA-N 332.407 2.582 30 40 EFEB Cn1cc(CN[C@H]2CCO[C@@H]2c2ccnn2-c2ccccc2)cc1C#N 583616625 UNQZOHFOSPKUMH-ICSRJNTNSA-N 347.422 2.702 30 40 EFEB N#Cc1cc(NC(=O)N[C@H]2CC[C@H](O)CC2)ccc1OC(F)(F)F 282559381 AAHUISBGAAEUCI-UMSPYCQHSA-N 343.305 2.882 30 40 EFEB N#Cc1cccc2c1CCN2C(=O)[C@H]1[C@H]2CC[C@@H](O2)[C@@H]1C(F)(F)F 591521748 UOBNQBGCWZWUNE-KBXIAJHMSA-N 336.313 2.803 30 40 EFEB C[C@@H]1CO[C@H](c2ccccc2)CN1S(=O)(=O)c1cccc(C#N)c1 66934636 NQCVIFUTOQVPDB-KDOFPFPSSA-N 342.420 2.709 30 40 EFEB N#C[C@@H]1C(=O)Nc2nn(-c3ccccc3)c(O)c2[C@@H]1c1cccs1 14163298 VECLYMWMCMMIDQ-AAEUAGOBSA-N 336.376 2.863 30 40 EFEB N#Cc1ccc(N2C[C@@H]3CCN(c4nc5cnccc5s4)[C@@H]3C2)nc1 1889179484 OLJRPDDNOMJEDH-DZGCQCFKSA-N 348.435 2.673 30 40 EFEB CC(=O)NCCc1ccc(C(=O)COc2cccc(C#N)c2)s1 40012651 TWWULOZEJUXSLM-UHFFFAOYSA-N 328.393 2.560 30 40 EFEB N#Cc1c(NC(=O)[C@@H]2[C@@H](C(=O)O)[C@H]3C=C[C@H]2CC3)sc2c1CCC2 102345818 OZJNFSGUQNDZEB-CHPZLBCBSA-N 342.420 2.960 30 40 EFEB C=CCN1C(=O)NC(=O)/C(=C\Nc2cc(Cl)cc(Cl)c2)C1=O 12062401 ILWAZOQXPMMVOH-YRNVUSSQSA-N 340.166 2.554 30 40 EFEB Cc1ccc(N2C[C@H](C(=O)[C@@H](C#N)c3cc(C)nc(C)n3)CC2=O)cc1 41574743 KBQUXPCDJDYFAI-WBVHZDCISA-N 348.406 2.631 30 40 EFEB N#Cc1ccccc1N1CCCN(C(=O)CCc2nccs2)CC1 55254735 NZCPMXJMOIHDPO-UHFFFAOYSA-N 340.452 2.686 30 40 EFEB Cn1ccnc1C(=O)[C@@H](C#N)C(=O)c1ccc(OC(F)(F)F)cc1 119508442 WEAVLYHOCSPEKS-NSHDSACASA-N 337.257 2.524 30 40 EFEB CC(=O)/C(=C\NC(=S)c1ccncc1)C(=O)Nc1ccccc1C 104301753 JUJCIXUFANKCRJ-RVDMUPIBSA-N 339.420 2.767 30 40 EFEB Cc1nccn1-c1ncccc1NC(=O)[C@H](C)Oc1cccc(C#N)c1 58329242 PXGSHRQTRKLAHE-ZDUSSCGKSA-N 347.378 2.853 30 40 EFEB CC(C)(C)CN(CCC#N)C(=O)Nc1ccc(N2CCOCC2)nc1 69705341 LCFAAAQDJINRAC-UHFFFAOYSA-N 345.447 2.712 30 40 EFEB C=CCOc1cc([C@@H]2CC(=O)Nc3nc(N)sc32)ccc1OC 15082059 QGWWLQVPSFVMPU-JTQLQIEISA-N 331.397 2.773 30 40 EFEB Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H]1CCCc2occc21 72273594 YGYLRPWVNVNCOY-MRXNPFEDSA-N 339.395 2.583 30 40 EFEB CN(C)S(=O)(=O)/N=C(\O)[C@H]1C[C@H]1c1ccccc1C(F)(F)F 71822567 MGWNKWXWCBTQGN-UWVGGRQHSA-N 336.335 2.572 30 40 EFEB CCn1nc(C)c(S(=O)(=O)N(c2ccccc2)[C@H](C)C#N)c1C 95404028 NZCSQBPPDPOGDP-GFCCVEGCSA-N 332.429 2.627 30 40 EFEB COc1csc(C(=O)Nc2ccc(-n3cc(C#N)c(N)n3)cc2)c1 95406013 BENDJLSUPCRUEI-UHFFFAOYSA-N 339.380 2.649 30 40 EFEB Cc1ccc(N=C[C@@H]2C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)cc1 408526521 CUBXUIQUEFHWPK-MRXNPFEDSA-N 335.363 2.905 30 40 EFEB N#C[C@]1(C=O)[C@@H](c2ccc(Cl)cc2)[C@H]1S(=O)(=O)c1ccccc1 242592163 OKCXJLPUBDQSNT-BBWFWOEESA-N 345.807 2.989 30 40 EFEB N#C[C@]1(N)[C@@H](c2ccc(Cl)cc2)[C@H]1S(=O)(=O)c1ccccc1 252516360 SEXBEOZDBGOYQP-XHSDSOJGSA-N 332.812 2.501 30 40 EFEB O=C(/C(=C\N1CCCC1)c1nnnn1-c1ccccc1)c1ccccc1 4371208 JNGGZHBKOUQKJZ-OBGWFSINSA-N 345.406 2.982 30 40 EFEB CC1(C)Cc2c(C#N)c(N3CCOCC3)nc(-c3ccco3)c2CO1 20790675 GSGJWZFUZTYXQU-UHFFFAOYSA-N 339.395 2.901 30 40 EFEB CC(=O)N[C@H](CC(=O)N(C)C1(C#N)CCC1)c1ccc(Cl)cc1 58431384 GIBYSFKXWIMPCU-OAHLLOKOSA-N 333.819 2.812 30 40 EFEB N#Cc1cc(N[C@@H]2CCCN(C(N)=O)C2)nc2ccc(Cl)cc12 97108327 OVWGFQXLBQUSFH-GFCCVEGCSA-N 329.791 2.715 30 40 EFEB N#CC1(NC(=O)COc2ccc([N+](=O)[O-])cc2Cl)CCCCC1 3447764 ROJLANWAPCKQIN-UHFFFAOYSA-N 337.763 2.970 30 40 EFEB Cc1cccc(CS(=O)(=O)Nc2nn(C(C)(C)C)cc2C#N)c1 97140265 DFDUZERAWYIWDJ-UHFFFAOYSA-N 332.429 2.760 30 40 EFEB C=CCN1C(=O)N/C(=C/c2ccc(N3CCCCC3)c(F)c2)C1=O 409139975 CGXKJVBCISCVHV-NTCAYCPXSA-N 329.375 2.895 30 40 EFEB C[C@H](Cn1cncn1)NCc1cccc(OCc2cccc(C#N)c2)c1 67504732 GSAKUQQRVPTAFI-MRXNPFEDSA-N 347.422 2.907 30 40 EFEB N#Cc1ccsc1NC(=O)COC(=O)c1c[nH]c2ccccc12 7508549 AFKQZUREZDZPMT-UHFFFAOYSA-N 325.349 2.897 30 40 EFEB Cc1nnc(N2CCC[C@@H](C(=O)NC3CCCCC3)C2)c(C#N)c1C 68321320 PZPRBDRFUULCGA-OAHLLOKOSA-N 341.459 2.630 30 40 EFEB CCOC(=O)c1ccc(NS(=O)(=O)c2ccccc2C#N)cc1 16124898 RTVXRFBHVJNUFY-UHFFFAOYSA-N 330.365 2.536 30 40 EFEB CC/N=C(/NCc1noc(C)n1)N1CC=C(c2ccccc2)CC1 88918519 ZINPILWXVDNXFW-UHFFFAOYSA-N 325.416 2.633 30 40 EFEB Cc1ccccc1N1C(=O)NC(=O)[C@@H](C=Nc2ccccc2F)C1=O 408527662 PORDOONRPYUUOM-GFCCVEGCSA-N 339.326 2.736 30 40 EFEB Cc1c(C#N)c(SCC(=O)N[C@@](C)(C#N)C(C)C)nc2c1CCC2 9154634 DKMSMGIETHEIDI-SFHVURJKSA-N 342.468 2.897 30 40 EFEB C=CCOC[C@H]1c2nnn(CC3CC3)c2CCN1Cc1ccco1 96060583 NHDCUOIGEQGWGI-KRWDZBQOSA-N 328.416 2.583 30 40 EFEB Cc1cccc(N2CC[C@@]3(CC(=O)N(c4ccc(C#N)cc4)C3)C2)n1 96238828 BLQOMXLEEKQIGF-HXUWFJFHSA-N 332.407 2.895 30 40 EFEB Cc1cc(C)c(C#N)c(NC[C@@H]2CCCN(C)[C@H]2c2cncn2C)n1 583618217 SFABISUUKXZBFP-MAUKXSAKSA-N 338.459 2.799 30 40 EFEB N#CCOc1ccc(CN2CCCC[C@H]2CCn2ccnn2)cc1 1616034426 FQHMITLADBHELN-KRWDZBQOSA-N 325.416 2.625 30 40 EFEB N#Cc1ccnc(OC[C@H]2CCCN(c3ncc(Cl)cn3)C2)c1 1776008120 ZRRBLLISZJXGKQ-ZDUSSCGKSA-N 329.791 2.692 30 40 EFEB CCNc1nc(NCC)nc(NN=C2C3CC4CC(C3)CC2C4)n1 20932305 NJAUKKBDHDITFE-UHFFFAOYSA-N 329.452 2.959 30 40 EFEB Cc1cc(NC(=O)c2ccc(C#N)cc2)nc2nc(C(F)(F)F)nn12 32736021 LRFIWCIKDFGRSZ-UHFFFAOYSA-N 346.272 2.576 30 40 EFEB CC(C)[C@](C)(C#N)NC(=O)CN1CC=C(c2ccc(O)cc2)CC1 53815124 IGBOPQRQIGPIQP-IBGZPJMESA-N 327.428 2.536 30 40 EFEB Cc1occc1C(=O)N1CCN(Cc2ccc(C#N)cc2F)CC1 56513436 GUABDEVXGICTIR-UHFFFAOYSA-N 327.359 2.557 30 40 EFEB O=C(NCC#Cc1cccc(C(F)(F)F)c1)N[C@@H]1C[C@H]2CC[C@H]1O2 110681133 UDRPFEBSLQXGAG-RBSFLKMASA-N 338.329 2.676 30 40 EFEB C#Cc1cccc(N(Cc2cccs2)C(=O)[C@H]2COCCO2)c1 69658414 NHGCZNSXHSSIMX-QGZVFWFLSA-N 327.405 2.678 30 40 EFEB N#Cc1ccc(NC(=O)COC(=O)Cc2ccsc2)cc1Cl 6423581 AJUWIFFUULKYSO-UHFFFAOYSA-N 334.784 2.998 30 40 EFEB COc1cc(C#N)ccc1Oc1ccc2nnc(C(F)(F)F)n2n1 14159941 SRSPPARMEZYPFD-UHFFFAOYSA-N 335.245 2.816 30 40 EFEB CCOC(=O)Cn1c(C)c(/C=N/n2cn[nH]c2=S)c2ccccc21 4739874 FXVBPXAZPSXGDZ-QGMBQPNBSA-N 343.412 2.649 30 40 EFEB COc1cc(NC(=O)[C@@H](C)Oc2ccc(C#N)cc2)cc(OC)c1 5681821 NNCZKZRVVGLFGO-GFCCVEGCSA-N 326.352 2.981 30 40 EFEB C[C@@](C#N)(NC(=O)CSc1nc(-c2ccccc2F)n[nH]1)C1CC1 4879255 VIBTWVINLXPIFF-INIZCTEOSA-N 345.403 2.511 30 40 EFEB CN(Cc1cnn(-c2ccccc2)c1)C(=O)COc1ccc(C#N)cc1 7831174 OEBOGSPDZABWFW-UHFFFAOYSA-N 346.390 2.781 30 40 EFEB C=CCO[C@H](C)C(=O)Nc1cc(C(=O)OCC)ccc1-n1ccnc1 69128188 NFRIBRBUAVIHSE-CYBMUJFWSA-N 343.383 2.579 30 40 EFEB CC(=O)NC[C@H]1CN(Cc2ccc(-c3ccccc3C#N)cc2)CCO1 71910684 KSJVZUHRSGEUAA-FQEVSTJZSA-N 349.434 2.562 30 40 EFEB C#CCCOc1ccc(CNCc2c(C)nn(CCOC)c2C)cc1 72282417 VYVDUDRHANEDEI-UHFFFAOYSA-N 341.455 2.838 30 40 EFEB COCCN(CCC#N)C(=O)c1ccc(F)c(Br)c1 78949429 QEEPUKCLCUNZJX-UHFFFAOYSA-N 329.169 2.590 30 40 EFEB C[C@H]1C[C@H]1C(=O)NCCC(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 72499539 HUHJDHLNVPFDFA-JOYOIKCWSA-N 339.317 2.678 30 40 EFEB CC[C@@H](Sc1ccccc1)/C(O)=N/S(=O)(=O)c1cnn(C)c1 78984579 DAGWDRCQNZDVFP-CYBMUJFWSA-N 339.442 2.636 30 40 EFEB C=CCNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)Cc1ccccc1 222760246 UBQCPHFDIFHTOZ-QGZVFWFLSA-N 336.435 2.949 30 40 EFEB C=C(C)C[C@H](NC(C)=O)C(=O)NCCc1ccc(OC(C)C)cc1 585100246 MMMDRBBBWWGJQV-SFHVURJKSA-N 332.444 2.603 30 40 EFEB Cc1ccc2ncc(CN3CCCN(c4ncccc4C#N)CC3)n2c1 95982484 UAGDOJXNPBCIPO-UHFFFAOYSA-N 346.438 2.622 30 40 EFEB COc1ccc(C[C@@H]2S/C(=N\N=C/c3cccs3)NC2=O)cc1 19554439 JCBUCMHNESYHIN-XGHPXPSOSA-N 345.449 2.921 30 40 EFEB CC(=O)[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@H](O)C[C@@]21C 895760 LCZBQMKVFQNSJR-WMKCGOMXSA-N 346.467 2.809 30 40 EFEB C=CCc1ccccc1OC[C@H](O)Cn1c(=O)n(C)c2ccccc21 32760062 ZTKWOUFWCVJONB-MRXNPFEDSA-N 338.407 2.508 30 40 EFEB C=CCOc1ccc(/C=C2/SC(NC(C)=O)=NC2=O)cc1OCC 2812541 DKAXCZIBTPVTIK-XNTDXEJSSA-N 346.408 2.757 30 40 EFEB CC(=O)c1ccc(NC(=O)N2CCN(c3cc(C#N)ccn3)CC2)cc1 25234343 RIQQLNLAVRQVCM-UHFFFAOYSA-N 349.394 2.510 30 40 EFEB Cc1nnc(NC[C@H](O)CO[C@@H](C)c2ccccc2)c(C#N)c1C 44976145 QDBDFWIZQJXICR-HOCLYGCPSA-N 326.400 2.516 30 40 EFEB COc1ccc(NC(C)=O)cc1NC(=O)COc1cccc(C#N)c1 8200300 XPIQXWBYTLGFJR-UHFFFAOYSA-N 339.351 2.543 30 40 EFEB CC(C)Cc1nc(/C(O)=N/S(=O)(=O)c2cccc(C#N)c2)cs1 64100183 JTENFDAKVFARAJ-UHFFFAOYSA-N 349.437 2.907 30 40 EFEB Cc1nc(C)n(C[C@@H]2CCCCN2Cc2ccc(C#N)cc2F)n1 69596138 GMOUINIFXTYMQG-KRWDZBQOSA-N 327.407 2.960 30 40 EFEB Cc1cc(N/N=C/c2cccc(Cl)c2)nc(N2CCOCC2)n1 4856515 TXCGHYPGAKPLFT-WOJGMQOQSA-N 331.807 2.721 30 40 EFEB CNC(=O)CSc1nc2c(c(C(F)(F)F)c1C#N)CCCC2 8992546 JLXFIQCYFGXICD-UHFFFAOYSA-N 329.347 2.689 30 40 EFEB C[C@@H](Nc1ccn(CC(F)(F)F)n1)C(=O)Nc1cccc(C#N)c1 96003874 BDGGHDJITHVSOU-SNVBAGLBSA-N 337.305 2.756 30 40 EFEB Cc1nc(C(=O)N2CCN([C@H](C#N)C3CCCCC3)CC2)cs1 71833089 RYWVQOAJBXYTLZ-MRXNPFEDSA-N 332.473 2.682 30 40 EFEB CN(C)c1cccc([C@H]2CCCN2CC(=O)NC2(C#N)CCCC2)c1 71912076 QSFJTJLMQACWHB-GOSISDBHSA-N 340.471 2.842 30 40 EFEB CC[C@H](CC#N)NC(=O)Nc1cccn(Cc2ccc(F)cc2)c1=O 97377735 KGYXILASQDOPSV-OAHLLOKOSA-N 342.374 2.849 30 40 EFEB COCCCN/C(=N/[C@H](C)c1cccs1)NCC[C@H]1CCCO1 75583314 FJDCCHBKVMYBCN-HUUCEWRRSA-N 339.505 2.950 30 40 EFEB N#Cc1ccc(N2CCC(COc3cc(C4CC4)ncn3)CC2)nc1 1565521800 ATELCPLRXGSWGH-UHFFFAOYSA-N 335.411 2.916 30 40 EFEB COc1ccc(NC(=O)NCC#CCN(C(C)C)C(C)C)cc1OC 75164520 QZHBHASEJNCDDB-UHFFFAOYSA-N 347.459 2.948 30 40 EFEB CCCCNC(=O)[C@H](C)N1CCC(Nc2ccccc2C#N)CC1 585116457 XEFQLKKWCWQJGW-HNNXBMFYSA-N 328.460 2.739 30 40 EFEB CN(C)c1ccc([C@@H]2CCCN2Cc2cc(F)ccc2C#N)nn1 591625158 ZCVSBQCSPNEAKO-KRWDZBQOSA-N 325.391 2.890 30 40 EFEB N#CCn1cc(NC(=O)CCc2ccc(Br)cc2)cn1 95407179 BFMIUVFTVGJWEO-UHFFFAOYSA-N 333.189 2.740 30 40 EFEB O=C(O)/C(O)=C/C(=O)c1ccc(Br)c(Br)c1 106679561 JKJIYBBDTVEGTF-WTKPLQERSA-N 349.962 2.921 30 40 EFEB N#CCN(C(=O)COC(=O)C[C@@H]1C[C@H]2CC[C@@H]1C2)c1ccccc1 7646520 MQXIFTFTCLAQHJ-XHSDSOJGSA-N 326.396 2.913 30 40 EFEB N#CC1(C#N)[C@H](c2ccncc2)O[C@@]23CCCC[C@@H]2[C@@]1(C#N)C(=N)O3 102715153 KPADPFKCWHSRJR-IDCJVQTKSA-N 333.351 2.590 30 40 EFEB CC/N=C(\NC[C@@H]1CCN(C)C1)NC[C@H](C)c1ccc(F)c(F)c1 108353581 NDWVMTDZPANZTF-KBPBESRZSA-N 338.446 2.575 30 40 EFEB COc1ccc(NC(=O)CN(C)Cc2cc(C#N)ccc2F)cc1 12688526 FNTNYCYPSSRVRF-UHFFFAOYSA-N 327.359 2.776 30 40 EFEB CCOc1ccc(/N=C(/NC(C)=O)Nc2nc(C)cc(C)n2)cc1 2183202 ZJIQBIXGHAXABP-UHFFFAOYSA-N 327.388 2.728 30 40 EFEB C=CCO[C@@H](C)/C(O)=N/S(=O)(=O)c1ccccc1Br 49302318 MNVLTVCLTNAYMX-VIFPVBQESA-N 348.218 2.685 30 40 EFEB N#CCSc1nc2cc(Cl)ccc2c(=O)n1C[C@@H]1CCCO1 5571418 OBCGXKOQPYFSIL-NSHDSACASA-N 335.816 2.845 30 40 EFEB C[C@H](OC(=O)c1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(C#N)cc1 5673896 SFFODBWZBNBCEJ-NSHDSACASA-N 339.307 2.650 30 40 EFEB C=CC[N+](C)(C)CCOC(=O)C(O)(c1ccccc1)c1ccccc1 67194139 XVHJTOTUNNEYHO-UHFFFAOYSA-N 340.443 2.728 30 40 EFEB C=CCn1nnnc1NCc1cc(Br)ccc1OCC 7601899 ISVMGVHFMLNJJX-UHFFFAOYSA-N 338.209 2.632 30 40 EFEB Cc1nc(C(F)(F)F)ccc1C(=O)[C@@H](C#N)C(=O)Nc1ccccn1 195281506 WCTCKZALFISKBI-LLVKDONJSA-N 348.284 2.765 30 40 EFEB Cc1cccc(N2CC[C@]3(CC(=O)N(c4ccc(C#N)cc4)C3)C2)n1 96238827 BLQOMXLEEKQIGF-FQEVSTJZSA-N 332.407 2.895 30 40 EFEB O/C(Cc1ccc2c(c1)OCCCO2)=N\c1nc([C@@H]2CCCO2)n[nH]1 95475083 ZODBAZQQKUQIDY-ZDUSSCGKSA-N 344.371 2.648 30 40 EFEB C=CCN1CCN(C(=O)Cc2cccc(OC)c2)Cc2cccnc21 96260847 GKTIDEFIBGJBQB-UHFFFAOYSA-N 337.423 2.668 30 40 EFEB O=c1c2ccccc2nc(O)n1N=Cc1c(O)ccc2ccccc12 254840548 LYIUMYYWDJCYKZ-UHFFFAOYSA-N 331.331 2.843 30 40 EFEB Cc1cc(C#N)ccc1C(=O)N1CCC[C@H]1c1ccc(N(C)C)nn1 591657306 MPKOUKPLSKINLE-KRWDZBQOSA-N 335.411 2.700 30 40 EFEB CCOC(=O)Cc1csc(CNc2ccc(Cl)c(C#N)n2)n1 1647631132 UTODSVKDNKLRJM-UHFFFAOYSA-N 336.804 2.781 30 40 EFEB COCC1(C2CCC2)CN(C(=O)NCc2ccc(C#N)c(F)c2)C1 596618306 KKELAHMIHJSSQM-UHFFFAOYSA-N 331.391 2.655 30 40 EFEB C#CCN(Cc1cc(=O)n2ccccc2n1)[C@H]1CCc2ccccc21 40539382 IEGUYXGITINJCC-IBGZPJMESA-N 329.403 2.817 30 40 EFEB CCCC(=O)N1CCN(c2nc(C)c3c(c2C#N)CCCC3)CC1 20591101 MUHDQIBMKNWRTC-UHFFFAOYSA-N 326.444 2.589 30 40 EFEB CC1(C)C(=O)Nc2ccccc2N1C(=O)COc1ccc(C#N)cc1 2653327 KGEBPWACDTZJDB-UHFFFAOYSA-N 335.363 2.701 30 40 EFEB C=CCNS(=O)(=O)c1cccc(C(=O)Nc2ccc(C)cc2)c1 8286884 XRAQCFLKVIBWEF-UHFFFAOYSA-N 330.409 2.712 30 40 EFEB COc1c2c(cc3c1[C@H](C/C(=N/O)c1ccco1)N(C)CC3)OCO2 33900877 GKUBHQFQPYRCII-QXGSTRBFSA-N 344.367 2.815 30 40 EFEB biogenic O=C(O)c1ccccc1/C=N/n1c(-c2cccnc2)n[nH]c1=S 1296643 AODBFMRPXXWURZ-RQZCQDPDSA-N 325.353 2.583 30 40 EFEB CC(C)(C)n1cc(N[C@@H]2CCN(c3sccc3C#N)C2=O)cn1 186257468 QTRMEOFPKOUQOY-CYBMUJFWSA-N 329.429 2.789 30 40 EFEB Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N1c2ccccc2C[C@H]1C 44869316 VRKPTFOWYITRGQ-GFCCVEGCSA-N 335.407 2.774 30 40 EFEB C[C@@H](c1nc(C2CC2)no1)N1CCN(Cc2ccc(C#N)cc2)CC1 44975155 VBIXVMJMYIBYGC-AWEZNQCLSA-N 337.427 2.697 30 40 EFEB CCOC(=O)C1=C2c3ccc4ccccc4c3CC(C)(C)N2C(=O)C1=O 2275812 ROEZPYLDSODIHV-UHFFFAOYSA-N 349.386 2.860 30 40 EFEB Cc1ccc(N2CCC[C@H](N(C)Cc3cc(C#N)ccc3F)C2)nn1 71859812 SNQBDNZHUXKRIP-KRWDZBQOSA-N 339.418 2.897 30 40 EFEB COc1ccc([C@H]2c3sc(=O)[nH]c3SC[C@@H]2C#N)cc1OC 4278718 VSOKLTZCAFJGTR-JOYOIKCWSA-N 334.422 2.831 30 40 EFEB Cc1ncc(CO)c(/C=N/Nc2c(F)c(F)c(F)c(F)c2F)c1O 4310868 FUUXYHLDWPSFKO-WSVFEZOKSA-N 347.243 2.729 30 40 EFEB COc1ccc(CCN2CC[C@H](CNc3ccc(C#N)cn3)C2)cc1 65531122 JOXQDEXFDXZYRC-GOSISDBHSA-N 336.439 2.938 30 40 EFEB C=CCOc1cccc(/C=N/NS(=O)(=O)c2ccc(C)cc2)c1 5617743 LQIUGFQRZHCPCG-QGOAFFKASA-N 330.409 2.872 30 40 EFEB C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CN4CCN(C)CC4)[C@H]3C[C@@H]12 19703405 LLAWFIRDWMEMEQ-BFMVXSJESA-N 332.488 2.548 30 40 EFEB biogenic C[C@H]1CN(C(=O)c2ccc(COc3ccc(C#N)cc3)o2)[C@H](C)CO1 69416912 UZJUXEREQYLUCK-KGLIPLIRSA-N 340.379 2.980 30 40 EFEB N#CCc1ccccc1C/C(O)=N/S(=O)(=O)c1ccc(F)cc1 97138732 WYLOYDXWGUHPTM-UHFFFAOYSA-N 332.356 2.780 30 40 EFEB Cc1cc(N2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)c(C#N)c(C)n1 95973041 ZCWABSDRIOWPTM-ZDUSSCGKSA-N 338.371 2.564 30 40 EFEB N#CCSCCCN1CCN(C(=O)c2cccc(Cl)c2)CC1 74980517 DRTRNSHBZRIBHU-UHFFFAOYSA-N 337.876 2.745 30 40 EFEB N#CC1(CNC(=O)c2ccc(-c3noc(C(F)(F)F)n3)cc2)CC1 578949477 QLOVQNZZZPPVRW-UHFFFAOYSA-N 336.273 2.789 30 40 EFEB C=C(C)CNC(=O)c1cnn(C(C)(C)C)c1I 585121732 XNOQFXQGIUCRDJ-UHFFFAOYSA-N 347.200 2.549 30 40 EFEB CCc1cnccc1C(=O)N1CCN([C@H](C#N)c2ccccc2)CC1 158963059 ZIARHCALOZPCIG-LJQANCHMSA-N 334.423 2.667 30 40 EFEB COc1cc(N[C@@H]2CCCN(C(=O)C(C)(C)C#N)C2)cc(OC)c1 84139805 UNGXCWLBDSCVJK-CYBMUJFWSA-N 331.416 2.656 30 40 EFEB N#Cc1cc(/C(O)=N/S(=O)(=O)c2ccc(C(F)(F)F)cc2)c[nH]1 97048955 OGIOSKFJDOALMD-UHFFFAOYSA-N 343.286 2.599 30 40 EFEB N#Cc1ccc(N2CCN(c3ccccc3F)CC2)c([N+](=O)[O-])c1 6269456 DQQMPIKRQBRRMA-UHFFFAOYSA-N 326.331 2.932 30 40 EFEB CCOc1ccccc1NC(=O)[C@H](C#N)C(=O)c1cccc(C#N)c1 103504694 PXRDJTKFDCTWGG-OAHLLOKOSA-N 333.347 2.918 30 40 EFEB COC(=O)CCCn1c(C)cc(C2=NN/C(=N\C3CC3)SC2)c1C 12686806 CFNLAUJZIJRJLT-UHFFFAOYSA-N 348.472 2.617 30 40 EFEB C#CCN1CCC(C(=O)NCCc2c(Cl)cccc2Cl)CC1 58290640 NKMMSXFGVUGAMB-UHFFFAOYSA-N 339.266 2.997 30 40 EFEB COC(=O)[C@H](c1cccc(C#N)c1)N1CCO[C@H](c2ccccc2)C1 83133852 RSNUZUDCEVLHRK-OALUTQOASA-N 336.391 2.846 30 40 EFEB CCC[C@@H](C)NC(=O)CSc1nc(C)c(C(=O)OCC)cc1C#N 7149518 SRHUBBJILVDYKP-LLVKDONJSA-N 349.456 2.835 30 40 EFEB N#Cc1ccc(CN2CCCN(c3nc(C4CC4)ns3)CC2)cc1 80765941 QKNVJPWGSOOYJA-UHFFFAOYSA-N 339.468 2.999 30 40 EFEB N#Cc1csc(C(=O)N(CCN2CCOCC2)c2ccccc2)c1 84089247 IPCYOGWVWDKQQV-UHFFFAOYSA-N 341.436 2.599 30 40 EFEB C[C@@H](NC(=O)NCc1cccc(C#N)c1)c1cn(-c2ccccc2)nn1 84667501 ZDJRIJDBUNWUME-CQSZACIVSA-N 346.394 2.699 30 40 EFEB O=[N+]([O-])c1ccc(N/N=C/c2ccccc2N2CCOCC2)cc1 408908380 BZSUGIJWBTVCHZ-QGOAFFKASA-N 326.356 2.877 30 40 EFEB O=C1NC(=O)N(c2ccccc2F)C(=O)[C@@H]1C=Nc1ccc(F)cc1 408528257 VAHDDYVPZUSZDC-GFCCVEGCSA-N 343.289 2.566 30 40 EFEB COc1ccc2[nH]cc(CCNC(=O)CNc3ccc(C#N)cc3)c2c1 79051066 BMNJRSBBFPJMKP-UHFFFAOYSA-N 348.406 2.819 30 40 EFEB N#Cc1cccc([C@H]2C[C@@H]2C(=O)OCCN2CCCCCC2=O)c1 83147292 CSQAQJQYDULCDI-SJORKVTESA-N 326.396 2.608 30 40 EFEB C=C(Cl)CS(=O)(=O)NC[C@H](C)c1nc(-c2ccccc2)no1 195578836 OQUDRDRARMMNBW-JTQLQIEISA-N 341.820 2.512 30 40 EFEB C[C@H](C#N)CN(C)C[C@]1(O)CC[C@@H](N(C)C(=O)OC(C)(C)C)CC1 585088415 VKTDYUXVYOAVOV-RKVPGOIHSA-N 339.480 2.618 30 40 EFEB COC(=O)[C@@H](CNCc1ccc(C#N)cc1)Cc1ccc(O)c(F)c1 585116781 IISZBXNZEZIAPX-MRXNPFEDSA-N 342.370 2.524 30 40 EFEB Cc1nccc([C@@H]2CCCN(c3nc4ncccc4cc3C#N)C2)n1 585098243 NDFYXGVPLVZTEF-OAHLLOKOSA-N 330.395 2.984 30 40 EFEB C=CCNC(=O)[C@H](C)Nc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1 56177768 DLSXRQHDSDBUKT-MCIONIFRSA-N 335.423 2.542 30 40 EFEB CC[C@@H](CS(=O)(=O)c1ccccc1)NC(=O)C1(C#N)CCCCC1 95434668 DBYYVZZEPQQXOR-HNNXBMFYSA-N 348.468 2.829 30 40 EFEB COc1cc2c(cc1OC)[C@@H]1C/C(=N\O)C3=C(CCCC3=O)N1CC2 12338920 GGFOLPPHYONLHA-NPRIEWAGSA-N 342.395 2.844 30 40 EFEB biogenic C/C(=N\NC(=S)NCc1ccccc1)c1ccc2c(c1)OCCO2 5119861 MGRIXPAHIDCVCB-DEDYPNTBSA-N 341.436 2.846 30 40 EFEB Cc1ccc(NC(=O)Cn2c(C)cc(C)c(C#N)c2=O)cc1Cl 7615857 WDPWEODLOSIMNZ-UHFFFAOYSA-N 329.787 2.937 30 40 EFEB COC(=O)c1ccc([C@H]2C3=C(CCCC3=O)Nc3c(C#N)cnn32)cc1 40284111 LCEQITLMPXXHNT-KRWDZBQOSA-N 348.362 2.563 30 40 EFEB CCOC(=O)N1CCN(C(=O)Nc2ccc(C#N)c(Cl)c2)CC1 40526452 LRCKIDWKBWEWKW-UHFFFAOYSA-N 336.779 2.518 30 40 EFEB CCOc1ccc(/C=N\NS(=O)(=O)c2ccccc2)c(OCC)c1 32573598 NECJZZFXQYYOKR-AQTBWJFISA-N 348.424 2.796 30 40 EFEB COc1cc(C#N)ccc1OCC(=O)Nc1cccc(-n2ccnc2)c1 46118568 LSMYMTJEPOHJDE-UHFFFAOYSA-N 348.362 2.770 30 40 EFEB COc1ccc(/C=N/NC(=S)N[C@@H]2C[C@H]3CC[C@H]2C3)cc1OC 105389685 HZWCLXYETSTGAZ-CRFJLXRRSA-N 333.457 2.690 30 40 EFEB N#C[C@@H](C(=O)CCCn1cccn1)C(=O)Nc1ccc(F)c(Cl)c1 102764001 FNKDXBOZLCQQIF-LBPRGKRZSA-N 348.765 2.803 30 40 EFEB CCOCc1ccc(CNS(=O)(=O)c2cccc(C#N)c2)cc1 28331554 WEXJCQPRQXHLLN-UHFFFAOYSA-N 330.409 2.573 30 40 EFEB Cc1cc(=O)oc2cc(NC(=O)COc3ccccc3C#N)ccc12 3558535 DHQGYTLNYOUFHC-UHFFFAOYSA-N 334.331 2.991 30 40 EFEB Cc1nn(Cc2ccc(Br)cc2F)c(=O)c(C#N)c1C 7442113 VPRLGMAKTHGQMI-UHFFFAOYSA-N 336.164 2.682 30 40 EFEB N#Cc1cccc(C(=O)N2C[C@H](O)C[C@H]2c2cc(F)ccc2F)c1 91761812 CNVIPCYSVQMXCG-PBHICJAKSA-N 328.318 2.785 30 40 EFEB CCOc1cc2c(cc1CNC(=O)N(C)C[C@H](C)C#N)O[C@@H](C)C2 89991038 KKAXMSCLYQVPKZ-OLZOCXBDSA-N 331.416 2.710 30 40 EFEB C=CCOc1ccccc1/C=C1\SC(=O)N(CC(=O)OCC)C1=O 408536111 YEINBVXYXBDZLX-UVTDQMKNSA-N 347.392 2.851 30 40 EFEB N#CC1(C#N)[C@H](c2ccc(F)cc2)[C@H]1S(=O)(=O)c1ccccc1 218365761 QDFNBEBNDYVNPA-HZPDHXFCSA-N 326.352 2.799 30 40 EFEB CN1C(=O)C[C@H](C(=O)Nc2cccc(C#N)c2)[C@H]1c1ccc(F)cc1 72242293 AZMRXVGVAXJSGI-FUHWJXTLSA-N 337.354 2.855 30 40 EFEB C[C@@H](Nc1cccc(OCC(F)(F)F)c1)C(=O)N(C)CCC#N 79029586 FAEQYXDHAWNMCP-LLVKDONJSA-N 329.322 2.800 30 40 EFEB C/N=C(\NCCCn1cc(C)cn1)N[C@H](C)c1ccccc1OC 96406094 UXDLGJZDHZIWTC-OAHLLOKOSA-N 329.448 2.516 30 40 EFEB N#Cc1cc([N+](=O)[O-])cnc1NCCc1csc(N2CCCC2)n1 96429621 WRACMSOZGVMXED-UHFFFAOYSA-N 344.400 2.573 30 40 EFEB N#Cc1cc(NCc2ccc(S(=O)(=O)N3CCCC3)o2)ccc1F 96427514 MHFQKHRNEHZFNJ-UHFFFAOYSA-N 349.387 2.687 30 40 EFEB C=CCOCCCC(=O)N=c1nc(-c2cccnc2Cl)[nH]s1 585130047 GKJBVHVKRPFKBW-UHFFFAOYSA-N 338.820 2.597 30 40 EFEB Cc1ccc(C#N)cc1S(=O)(=O)N1CC=C(C(F)(F)F)CC1 270214560 OQPNCNKTDPKDLF-UHFFFAOYSA-N 330.331 2.750 30 40 EFEB Cc1cc(C(=O)N2C[C@H]3CCCN3Cc3ccccc32)ncc1C#N 580627012 YWHKESKJLOZWRF-QGZVFWFLSA-N 332.407 2.887 30 40 EFEB N#C[C@H](C(=O)/C=C/c1ccc2c(c1)OCO2)C(=O)NC1CCCCC1 103503890 XHHJUNZLURNMNB-PMGBHYCQSA-N 340.379 2.586 30 40 EFEB N#CC(=O)C(=NNc1c(Cl)cc(Cl)cc1Cl)C(=O)C#N 1554503646 ZQAFLAAOPQTYJA-UHFFFAOYSA-N 329.530 2.600 30 40 EFEB COc1ccc([C@H]2[C@H]3CCCC[C@@]3(O)CCN2CC#N)cc1OC 13769185 XIIIERLRZPQPKY-AYOQOUSVSA-N 330.428 2.895 30 40 EFEB C=CCOc1ccc(C(=O)N2CCC3(CC2)CC(=O)N(CC)C3)cc1 2055795978 DBFKPHZGWIYSRN-UHFFFAOYSA-N 342.439 2.726 30 40 EFEB CC/C(NCc1ccccc1)=C1/C(=O)CC(C)(C)[C@H](C(=O)OC)C1=O 100739493 YWRXBOALWGWFEC-ZQHZRZASSA-N 343.423 2.798 30 40 EFEB N#C[C@@H](C(=O)CCCOc1cccc(F)c1)C(=O)Nc1ccccn1 104055560 ZKRSUHAQFWGQJS-HNNXBMFYSA-N 341.342 2.727 30 40 EFEB Cc1nn(CCC#N)c(C)c1CCC(=O)N1CCc2sccc2C1 24050871 OEJITEAJMWAGST-UHFFFAOYSA-N 342.468 2.993 30 40 EFEB COc1cc(C#N)c(NC(=O)CN(C)C2CCCCC2)cc1OC 1425569 PGAIYGYKIWKRPS-UHFFFAOYSA-N 331.416 2.778 30 40 EFEB C=CCc1ccc(OCC(=O)NC2CCN(CCC)CC2)c(OC)c1 58227234 FRQNHQKJRJWZAJ-UHFFFAOYSA-N 346.471 2.793 30 40 EFEB CC(=O)[C@@H]1CC(C(=O)Nc2cccc(C#N)c2)=NN1c1ccccc1 58315304 DRXDAYCMHCZNSE-SFHVURJKSA-N 332.363 2.721 30 40 EFEB O=C(c1ccccc1)c1cc[n+](CC(=O)N2CCc3ccccc32)cc1 3362616 JKAWGQWQHGZOST-UHFFFAOYSA-N 343.406 2.794 30 40 EFEB COc1ccc(-c2cc(CSc3ncc(C#N)c(N)n3)on2)cc1 11396744 YOZOTZLYZDABEQ-UHFFFAOYSA-N 339.380 2.886 30 40 EFEB CCOc1ccc(S(=O)(=O)/N=C(\O)[C@@H]2C[C@@H]2C)cc1OCC 48493769 YKAHYZANDBHUGR-CMPLNLGQSA-N 327.402 2.785 30 40 EFEB C=CCN1CCC(NC(=O)NCCc2c[nH]c3cc(C)ccc23)CC1 72270210 TXRCSHRJWNAAOG-UHFFFAOYSA-N 340.471 2.968 30 40 EFEB COc1cccc(Cc2nnc(SCCn3cc(C#N)cn3)o2)c1 71911302 ZLOHSKDJYBFOPE-UHFFFAOYSA-N 341.396 2.529 30 40 EFEB COc1ccc(C(=O)[C@@H](C#N)c2cc(OC)c3c(c2)OCO3)cc1 66091386 ZYBVECSLEHAFHK-AWEZNQCLSA-N 325.320 2.923 30 40 EFEB CCN(CC(F)(F)F)C(=O)[C@@H]1CCCN(c2ncccc2C#N)C1 78462722 UXHXRPZRCIMCRR-CYBMUJFWSA-N 340.349 2.580 30 40 EFEB CCOc1cc(C#N)ccc1OS(=O)(=O)c1ccccc1COC 95466046 XLNVQEVGZOFBKB-UHFFFAOYSA-N 347.392 2.871 30 40 EFEB CCO[C@H]1C[C@H](O)C12CCN(c1cc(C#N)c3ccccc3n1)CC2 95400828 RICNYOFQVOQCMP-ROUUACIJSA-N 337.423 2.863 30 40 EFEB C[C@H](C(=O)N1CCCN(c2ncccc2C#N)CC1)c1ccccc1 195567088 WXNUTEKWZHAGLH-INIZCTEOSA-N 334.423 2.796 30 40 EFEB Cc1ccc(S(=O)(=O)[C@@H]2[C@H](c3cccc(F)c3)[C@@]2(C#N)C=O)cc1 242648976 RNWORIGFUVXEMI-RCCFBDPRSA-N 343.379 2.783 30 40 EFEB OCCOC(F)(F)[C@@H](F)OC(F)(F)C(F)(F)C(F)(F)F 223377073 WUFACZFVWSWOMI-VKHMYHEASA-N 328.102 2.691 30 40 EFEB COCCN1C(=O)C(O)=C(C(=O)c2cccs2)[C@H]1c1ccccc1 6786306 WJTKKHVDFGWIQS-OAHLLOKOSA-N 343.404 2.973 30 40 EFEB C#CCN1CCCC[C@H]1C(=O)Nc1ccc(OC)c(OC(F)F)c1 40134976 MYABZDJROOLACA-ZDUSSCGKSA-N 338.354 2.723 30 40 EFEB CO[C@H](C)C(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1 40556088 NRCNIJBBTDMGET-SECBINFHSA-N 334.426 2.675 30 40 EFEB Cc1cc(NCCNc2ncccn2)n2c(nc3ccccc32)c1C#N 32913349 WCDAOMCHVBUOKL-UHFFFAOYSA-N 343.394 2.982 30 40 EFEB COc1cc(C(=O)/C=C/c2ccc(C#N)cc2)ccc1S(C)(=O)=O 57809967 JFMDPMHPAVFUHW-VQHVLOKHSA-N 341.388 2.866 30 40 EFEB Cc1noc(C)c1CN(C)S(=O)(=O)c1ccc(C#N)c(Cl)c1 58931364 SODNRYAJBCOSOD-UHFFFAOYSA-N 339.804 2.637 30 40 EFEB Cc1cc(C)n(NC(=O)CC2=C(c3cccs3)CCC2=O)c(=O)c1 67851272 VYWLQTNBCGXKQD-UHFFFAOYSA-N 342.420 2.804 30 40 EFEB C=CCNC(=O)N1CCC[C@H](c2nc(-c3cccc(F)c3)no2)C1 69419889 LBZZDHJJBRSCOL-ZDUSSCGKSA-N 330.363 2.951 30 40 EFEB N#CCN(Cc1ccccc1)Cc1nc(-c2ccc3c(c2)OCO3)no1 69493684 PWAPVNHTZXTULU-UHFFFAOYSA-N 348.362 2.991 30 40 EFEB Cc1ccc(-c2nnn([C@H](C)C(=O)Nc3ccc(C#N)cc3)n2)cc1 9608809 ZNVIBJIFXHRDGF-CYBMUJFWSA-N 332.367 2.720 30 40 EFEB COCc1cc(C)nc(SCC(=O)Nc2ccccn2)c1C#N 409180241 VHHLUQREMAKDAV-UHFFFAOYSA-N 328.397 2.534 30 40 EFEB CCOCCn1c(C#N)cc(N)c1Oc1ccc(C(=O)OC)cc1 225887572 VRZSLBMXCQNBEQ-UHFFFAOYSA-N 329.356 2.557 30 40 EFEB C=CCN(Cc1ccc(C(=O)OC)cc1)S(=O)(=O)c1ccccc1 225147667 JHPXLMJXLZKMOS-UHFFFAOYSA-N 345.420 2.850 30 40 EFEB COc1cccc(CN2[C@@H]3C=CC(=O)[C@H]2[C@H](C(=O)OC(C)(C)C)C3)c1 54969068 XHKRZZKPVOIIPD-QGPMSJSTSA-N 343.423 2.735 30 40 EFEB CCOc1cc(OCC)c(C(=O)/C=C(\O)C(=O)OC)cc1Cl 100027845 DKDCVHQNTYTJGV-GHXNOFRVSA-N 328.748 2.935 30 40 EFEB C=CCNc1nnc(SCC(=O)N2C[C@@H](C)C[C@@H](C)C2)s1 14017193 ZKPJFSHKZUNGGS-PHIMTYICSA-N 326.491 2.733 30 40 EFEB CN1CCN(/N=C2/C=C(c3ccccc3)[C@@](O)(c3ccccc3)C2)CC1 5447409 FBAQZZULBQJRCE-MBDQKHHZSA-N 347.462 2.965 30 40 EFEB CN(C)Cc1c(O)ccc2c1O/C(=C\c1ccc3c(c1)OCO3)C2=O 20611086 IIJIMZPTGXYAEX-IUXPMGMMSA-N 339.347 2.799 30 40 EFEB biogenic C=C(C)CN1CCN([C@H](C(=O)O)c2c[nH]c3cc(F)ccc23)CC1 20738029 AZKJGHZGFIDLOV-KRWDZBQOSA-N 331.391 2.626 30 40 EFEB C/C(=N\NS(=O)(=O)c1ccccc1)c1sc(=S)n(C)c1C 205958 PZMUHJWIDQTLMN-NTEUORMPSA-N 341.483 2.827 30 40 EFEB C=CCNS(=O)(=O)Cc1ccc(NC(=O)[C@@H]2C[C@H]3CC[C@H]2C3)cc1 106648572 FQIQOQYJLXKAON-YQQAZPJKSA-N 348.468 2.667 30 40 EFEB N#Cc1ccc(CN(Cc2cccs2)[C@H]2CCS(=O)(=O)C2)cc1 57896183 JUOVLCIFLUEMLU-INIZCTEOSA-N 346.477 2.809 30 40 EFEB Cc1c(C(=O)/C=C/c2cnn(C)c2)nnn1-c1cccc(Cl)c1 58228675 BMNLLNINZBYOQN-VOTSOKGWSA-N 327.775 2.859 30 40 EFEB C=CCN(CC(F)(F)F)C(=O)c1ccc(N2CCNC2=O)c(C)c1 58272259 MWPZNGCQRFMHLU-UHFFFAOYSA-N 341.333 2.715 30 40 EFEB COc1cccc(Nc2nc(NN)c3c(c2C#N)CC(C)(C)OC3)c1 6673518 RKLGYJVARYWPRX-UHFFFAOYSA-N 339.399 2.842 30 40 EFEB N#Cc1ccc(OCCN2CC[C@@H](CNc3ccc(C#N)cn3)C2)cc1 65516915 YYCDHKDFVRBWGH-SFHVURJKSA-N 347.422 2.638 30 40 EFEB O=[N+]([O-])c1cc(/C=N\OCc2ccccc2)ccc1N1CCOCC1 36340515 PJZAKARZNUHSOZ-UYRXBGFRSA-N 341.367 2.982 30 40 EFEB COc1ccc(/C=N\OCC(=O)Nc2ccc(F)cc2)cc1OC 33780270 RDYLPBXJNFYSAL-GRSHGNNSSA-N 332.331 2.832 30 40 EFEB CCC(=O)N1CCC[C@H](C(=O)OC[C@H](C#N)Cc2ccc(F)cc2)C1 78442593 LZNCOKKLSOMTCE-HOTGVXAUSA-N 346.402 2.700 30 40 EFEB CC(=O)[C@@]12O[C@@H]1C[C@@H]1[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@@H]3[C@H](O)C[C@]12C 253618164 XPOFTPYDSZJRKX-DGBCEIDKSA-N 344.451 2.826 30 40 EFEB C[C@@H](O)CN(CC(=O)NC1(C#N)CCCCCC1)c1ccccc1 58341407 ZBRDFALPSIKRMX-MRXNPFEDSA-N 329.444 2.607 30 40 EFEB COc1cc(/C=N\n2cnnc2)c([N+](=O)[O-])cc1OCCC(C)C 445280 YYKZWJGIXNANOZ-LSCVHKIXSA-N 333.348 2.502 30 40 EFEB C/N=C(\NCc1cc(C)no1)NCc1ccc(F)cc1CSC 154592177 LWNAUNBPVLNBRU-UHFFFAOYSA-N 336.436 2.850 30 40 EFEB CCc1c(C)nc(C2CC2)nc1N1CCN(c2ncccc2C#N)CC1 1888860098 BGDHNRHFOFOAAX-UHFFFAOYSA-N 348.454 2.818 30 40 EFEB C#CCNC(=O)CCNC(=O)Nc1c(CC)ccc(Cl)c1CC 50050495 OQBDXDCAIZOLHF-UHFFFAOYSA-N 335.835 2.726 30 40 EFEB N#C[C@H](C(=O)Nc1ccccn1)C(=O)c1ccc(-n2cccc2)c(F)c1 100830530 VQKQFYQBXNAZEC-AWEZNQCLSA-N 348.337 2.973 30 40 EFEB C=CCn1c(NCCN(CC)CC)nc2ccc(Cl)cc2c1=O 1555862 YAKPYRZYRGSZGM-UHFFFAOYSA-N 334.851 2.990 30 40 EFEB C#CCOC(C(=O)OCCN(C)C)(c1ccccc1)c1ccccc1 2019610 QNPHCSSJLHAKSA-UHFFFAOYSA-N 337.419 2.685 30 40 EFEB in-man CCCN1C(=O)/C(=N\n2c(C)nc3ccccc3c2=O)c2ccccc21 6879380 ZFMDAYWYBHHDGW-PYCFMQQDSA-N 346.390 2.714 30 40 EFEB O=S(=O)(/N=C(\O)COc1ccc2ccccc2c1)N1CCCCC1 52794174 CZKZTIBNHSJGTG-UHFFFAOYSA-N 348.424 2.906 30 40 EFEB COc1cccc(/C=C2/Oc3cc(OCC(=O)O)ccc3C2=O)c1 2136449 BMDBRLWGRLRTNU-LZYBPNLTSA-N 326.304 2.775 30 40 EFEB Cc1ccccc1NC1CCN(CC(=O)N[C@@](C)(C#N)C(C)C)CC1 58378308 VUWYJFULQOARMT-FQEVSTJZSA-N 342.487 2.926 30 40 EFEB COc1ccc(C(=O)N(C)Cc2cccc(C#N)c2)c(OC)c1OC 45244222 QVBQOIBNRGCPLF-UHFFFAOYSA-N 340.379 2.856 30 40 EFEB CCN(C(=O)CNC(=O)Cc1ccccc1)[C@H](C)c1ccc(C#N)cc1 48374858 WTXPOZOLXOOMTP-MRXNPFEDSA-N 349.434 2.827 30 40 EFEB CNS(=O)(=O)c1cccc(CNc2ccc(Cl)cc2C#N)c1 69593573 UUCCITWNLJNVKW-UHFFFAOYSA-N 335.816 2.732 30 40 EFEB C=C(Br)CNC(=O)NC1CCN(CC2CCCC2)CC1 69776137 RTAJDTBUXHOAAX-UHFFFAOYSA-N 344.297 2.849 30 40 EFEB N#C[C@H](C(=O)[C@H]1CC=CCC1)c1nc(N)nc(Nc2ccccc2)n1 49392861 CEFTWXOADVZPBM-GXTWGEPZSA-N 334.383 2.730 30 40 EFEB Cc1nn(-c2ccccc2)c(Cn2cnc3sccc3c2=O)c1C#N 19351788 QDYHGQCMPYIIFD-UHFFFAOYSA-N 347.403 2.872 30 40 EFEB C#CCOc1ccc2ccccc2c1/C=C1/NC(=O)N(CC=C)C1=O 409143347 BTFQPJIERZAZAS-GHRIWEEISA-N 332.359 2.931 30 40 EFEB C[C@@H](CCc1ccccc1)C/C(O)=N/S(=O)(=O)c1cnn(C)c1 69329079 JBVRWWLRHKKDIM-ZDUSSCGKSA-N 335.429 2.724 30 40 EFEB C#CCSc1nnc(N2CCN(c3ccc(OC)cc3)CC2)s1 23139966 DTTJFYLPWWFSAS-UHFFFAOYSA-N 346.481 2.599 30 40 EFEB CCN(CC(=O)Nc1c(C#N)cnn1-c1ccccc1)Cc1ccco1 58265546 DORFESAUNZHOJB-UHFFFAOYSA-N 349.394 2.798 30 40 EFEB Cc1nn(-c2ccccc2)c(Cn2cnc3ccsc3c2=O)c1C#N 10874956 DRKDLRJHVQGHRI-UHFFFAOYSA-N 347.403 2.872 30 40 EFEB COc1cc(C#N)ccc1OCCCC(=O)N(C)Cc1cccnc1 36392718 VZMKMABSULKJLQ-UHFFFAOYSA-N 339.395 2.779 30 40 EFEB O=C1CCCC2=C1[C@H](c1ccc(Br)cc1)NC(=S)N2 2601611 VNSNMWHUKAGNBJ-ZDUSSCGKSA-N 337.242 2.975 30 40 EFEB Cc1ccc(S(C)(=O)=O)cc1C(=O)OCc1ccc(C#N)cc1 10403377 YNKYEQOWGCMBHM-UHFFFAOYSA-N 329.377 2.627 30 40 EFEB N#CCCN(C(=O)COC(=O)/C=C/c1ccco1)c1ccc(F)cc1 10753765 ITSQNTQZEWPDCI-CMDGGOBGSA-N 342.326 2.922 30 40 EFEB O=[N+]([O-])c1ccc(N/N=C/c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2O)cc1 100943624 UOVSBXNJYUZRLO-VGOFMYFVSA-N 347.243 2.563 30 40 EFEB CN(Cc1ccc(-c2ccccc2C#N)cc1)[C@@H]1CCS(=O)(=O)C1 12988181 SVLIHUSIEUGKAW-GOSISDBHSA-N 340.448 2.844 30 40 EFEB CC/N=C1/S[C@H](CC(=O)Nc2ccc(C(C)=O)cc2)C(=O)N1CC 13471214 XAAPWLPKAVIJAU-IAFNSTAXSA-N 347.440 2.558 30 40 EFEB Cc1nc(C)n(C[C@@H]2CCCN(Cc3ccc(C#N)cc3F)C2)n1 69816848 WZEDDIJBKCLTQI-MRXNPFEDSA-N 327.407 2.818 30 40 EFEB N#C[C@@H](C(=O)c1cccc(F)c1)c1nnnn1-c1ccc(Cl)cc1 16399096 JJVUAZVCXGUZQN-AWEZNQCLSA-N 341.733 2.945 30 40 EFEB N#Cc1ccc(SCCC(=O)N2CCCN3CCC[C@@H]3C2)cc1 69348283 FDKSWSWISJOEML-MRXNPFEDSA-N 329.469 2.737 30 40 EFEB N#Cc1ccc(OCCNC(=O)N2CCCC[C@H]2c2cn[nH]c2)cc1 97234380 SIIUSSNMMRUCBM-KRWDZBQOSA-N 339.399 2.597 30 40 EFEB N#Cc1ccccc1CNc1ccccc1C(=O)N1CCC[C@@H]1CO 96413222 MGSVPFLEWRQZJS-QGZVFWFLSA-N 335.407 2.767 30 40 EFEB N#Cc1ccc(NC(=O)/C=C/c2ccc(N3CCCC3=O)cc2)nc1 71804213 JCQOLBPWTHQSGE-UXBLZVDNSA-N 332.363 2.732 30 40 EFEB C[C@H](CC(=O)N1CCN(c2oc(C3CC3)nc2C#N)CC1)C1CC1 95955487 SJAVHLVTRWBGFH-GFCCVEGCSA-N 328.416 2.508 30 40 EFEB C#CCCCCCOC(=O)Cc1ccccc1S(=O)(=O)C(F)F 585135920 IONMRLSKDKLESD-UHFFFAOYSA-N 344.379 2.962 30 40 EFEB N#Cc1ccc(OCC(=O)NCc2cccc(CN3CCCC3)c2)cc1 32462271 VJAGXFJUPGCLRS-UHFFFAOYSA-N 349.434 2.849 30 40 EFEB C=CCNC(=O)c1cccc(S(=O)(=O)Nc2cccc(C)c2)c1 8294908 XLTDBPVXFHBFIT-UHFFFAOYSA-N 330.409 2.712 30 40 EFEB CC(C)c1cc(C(=O)N2CCCN(c3ccc(C#N)cc3)CC2)n[nH]1 53211532 BBPZYEGVUNLMJU-UHFFFAOYSA-N 337.427 2.757 30 40 EFEB CC(C)(C)OC(=O)N[C@@H]1CC[C@@H]2CN(Cc3ccc(C#N)o3)C[C@@H]21 97113977 JBWUFBLYMRDTNM-UHOFOFEASA-N 331.416 2.886 30 40 EFEB Cc1ccc(-c2nc(Cn3nc(C)c(C)c(C#N)c3=O)cs2)o1 58208944 KVCRJCJASYBUPR-UHFFFAOYSA-N 326.381 2.805 30 40 EFEB CNC(=O)NC(=O)[C@H](C)Nc1ccc(Oc2ccc(C#N)cc2)cc1 58289257 MNBHGSKYEMCDRN-LBPRGKRZSA-N 338.367 2.607 30 40 EFEB CCCc1noc(CCCC(=O)N(CCC#N)Cc2cccnc2)n1 58325748 SYBASKVQVBDYHV-UHFFFAOYSA-N 341.415 2.682 30 40 EFEB N#C[C@]1(NC(=O)c2cccc(-c3noc(C4CC4)n3)c2)CCSC1 96430807 HMWNBDYBQDUALQ-QGZVFWFLSA-N 340.408 2.743 30 40 EFEB CCCc1cc(=O)[nH]c(N/N=C/c2ccc(OCC)c(OCC)c2)n1 4423946 XRMKQMBLFMGELG-XDHOZWIPSA-N 344.415 2.966 30 40 EFEB CN(C)C(=O)[C@H]1CC[C@H](CNc2ccc(C(F)(F)F)c(C#N)c2)O1 97145458 NCPSLRWKMPYRMN-TZMCWYRMSA-N 341.333 2.625 30 40 EFEB COc1ccccc1[C@H](C#N)NC(=O)c1cc([N+](=O)[O-])ccc1C 68358154 KXJLQJCLQPBORZ-HNNXBMFYSA-N 325.324 2.907 30 40 EFEB Cn1cc(C#N)cc1C(=O)N[C@H](c1ccc2c(c1)OCCO2)C1CC1 81048806 QKEXYMVEUSDHTQ-SFHVURJKSA-N 337.379 2.549 30 40 EFEB CCCN(CC#N)C(=O)c1cc(Br)c2c(c1)OCCO2 69415241 LKQHWVSGLKAZFR-UHFFFAOYSA-N 339.189 2.596 30 40 EFEB N#C[C@H](NC(=O)[C@H]1C[C@@H]1c1cccnc1)c1cnn(-c2ccccc2)c1 71890191 BOZUXYRDPMMBBI-QYZOEREBSA-N 343.390 2.752 30 40 EFEB CN1CCc2c(sc3nc(SCC#N)nc(SCC#N)c23)C1 19897372 ZYBLCPIEWLVXFQ-UHFFFAOYSA-N 347.494 2.911 30 40 EFEB C#C[C@]1(O)C[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@]2(C)C1 118926319 DUULPJDVZRLYIC-WYLBFHJUSA-N 328.452 2.853 30 40 EFEB CCO[C@@H]1C[C@@H](O)C12CCN(c1c(C#N)cnc3ccccc13)CC2 89986553 BIVJJPLPWTYUBN-QZTJIDSGSA-N 337.423 2.863 30 40 EFEB CC[C@H](Sc1ccccc1)/C(O)=N/S(=O)(=O)c1cnn(C)c1 78984568 DAGWDRCQNZDVFP-ZDUSSCGKSA-N 339.442 2.636 30 40 EFEB N#Cc1cncc(N[C@@H]2CN(CC(F)(F)F)C[C@H]2c2ccccc2)n1 521394839 UHIVAQZJYVASGP-LSDHHAIUSA-N 347.344 2.790 30 40 EFEB Cc1ccc(S(=O)(=O)[C@H]2[C@H](c3ccc(Cl)cc3)[C@@]2(N)C#N)cc1 218433321 RURPZEFAAXJVBA-ULQDDVLXSA-N 346.839 2.809 30 40 EFEB C[C@]1(C#N)CCCN(C(=O)N[C@H](C[C@H]2CCCO2)C(F)(F)F)C1 594174053 JNHGOXAWEUPRPL-YRGRVCCFSA-N 333.354 2.822 30 40 EFEB CC(=O)C1=C(O)C(=O)N(CC#N)[C@@H]1c1ccc(Cl)cc1Cl 18189892 OEGLFUGSZWDHFA-GFCCVEGCSA-N 325.151 2.801 30 40 EFEB CCC(=O)Oc1ccc(/C=N/c2ccc3[nH]c(=O)[nH]c3c2)cc1OC 5417075 MYFISDLDDBCNDR-VXLYETTFSA-N 339.351 2.931 30 40 EFEB Cn1c(Nc2ccccc2)c(/C=N\c2ccccc2)c(=O)n(C)c1=O 1650473 RATIBZWAMRLVSZ-MOSHPQCFSA-N 334.379 2.578 30 40 EFEB Cc1c(C#N)c(NC(=O)CN2CCOC[C@H]2C)n(C2CCCC2)c1C 26452170 ZSKIDCHCYPLXIE-CYBMUJFWSA-N 344.459 2.751 30 40 EFEB COc1cccc(C(=O)/C=C2/Nc3ccc([N+](=O)[O-])cc3OC2=O)c1 100820677 DCFDMLIPKYSXAX-NTEUORMPSA-N 340.291 2.701 30 40 EFEB N#Cc1ccc(F)c(CNC(=O)NCCc2cccc([N+](=O)[O-])c2)c1 97022141 VUSSLEPHASNLTH-UHFFFAOYSA-N 342.330 2.647 30 40 EFEB COc1cccc2c1OC/C(=C\c1cnc(N3CCCC3)nc1)C2=O 58180255 CPOKQGGQQCTKKQ-NTEUORMPSA-N 337.379 2.744 30 40 EFEB C=CCN1C(=O)C(=O)N(Cc2sc(-c3ccccc3)nc2C)C1=O 58292725 HWAFGQHOBXVFMV-UHFFFAOYSA-N 341.392 2.595 30 40 EFEB COc1cccc([C@@H](NC(=O)c2cccc(C#N)c2)c2nccn2C)c1 29090892 QRHZAGOQNXCGLS-GOSISDBHSA-N 346.390 2.820 30 40 EFEB C[C@H]1CN(c2ccc(CNCc3ccc(C#N)cc3)cn2)C[C@@H](C)O1 48713423 AEJYQJSBFODXBM-IYBDPMFKSA-N 336.439 2.857 30 40 EFEB CCC(CC)/C(O)=N/S(=O)(=O)c1cncc(Br)c1 49135849 TXWUSEIXEKDBEZ-UHFFFAOYSA-N 335.223 2.926 30 40 EFEB CC1(C)Cc2c(sc3nc(N/N=C/c4ccco4)[nH]c(=O)c23)CO1 8913826 LQDYHCAMMZDCGI-REZTVBANSA-N 344.396 2.875 30 40 EFEB N#Cc1ccc(NC(=O)CS(=O)(=O)c2ccccc2)cc1Cl 4777215 FZCLETYERNXXRL-UHFFFAOYSA-N 334.784 2.624 30 40 EFEB O=[N+]([O-])c1ccccc1NC/C(O)=N/c1nc(-c2ccco2)n[nH]1 71896173 CJLDXPVVCFCTRQ-UHFFFAOYSA-N 328.288 2.673 30 40 EFEB CCOC(=O)[C@@](C#N)(C(=O)c1ccccc1[N+](=O)[O-])c1ccccc1 3845126 JJCSCCUPUSPLPE-GOSISDBHSA-N 338.319 2.802 30 40 EFEB biogenic C=CCCC[C@@H]1NC(=O)[C@H](c2ccc(C(F)(F)F)cc2)NC1=O 1614626288 ZAKCYYZJBNVKBI-STQMWFEESA-N 326.318 2.717 30 40 EFEB Cc1oc(-n2cccc2)c(C#N)c1C(=O)NCCc1nccs1 50451776 IBGNDAOYBCNDCH-UHFFFAOYSA-N 326.381 2.679 30 40 EFEB C=CCN(CC=C)C(=O)CCn1nc(C)c(Br)c1C 2777718 HTNQNCXTCOWUBC-UHFFFAOYSA-N 326.238 2.853 30 40 EFEB Cc1cc([C@H]2CCCN(CC(=O)Nc3oc(C)c(C)c3C#N)C2)n[nH]1 84111048 OTIOENHQTBDXSP-AWEZNQCLSA-N 341.415 2.618 30 40 EFEB COc1cccc(C(=O)C[n+]2cc(-c3ccc(F)cc3)n(C)c2N)c1 4435656 IDBOSWJZEGFIDK-UHFFFAOYSA-O 340.378 2.592 30 40 EFEB COC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1cnn(C)c1C 102605487 NKOOPOUKMOBSMY-MRXNPFEDSA-N 343.427 2.506 30 40 EFEB N#CC1(NC(=O)CNc2ccccc2OC(F)(F)F)CCCC1 22812025 LSYJRYXTYDAJQR-UHFFFAOYSA-N 327.306 2.950 30 40 EFEB COc1ccc(/C=N/NC(=S)N[C@H]2C[C@@H]3CC[C@@H]2C3)cc1OC 100212676 HZWCLXYETSTGAZ-KCPBESAPSA-N 333.457 2.690 30 40 EFEB C[C@H](Oc1ccc(CC(=O)O)cc1)C(=O)N(C)C1(C#N)CCCCC1 13421505 BVATWFKQJRQMLI-AWEZNQCLSA-N 344.411 2.766 30 40 EFEB CS/C(=N/S(=O)(=O)c1cccs1)NCc1ccccc1 6131552 HXWVVHQSDOBWEA-UHFFFAOYSA-N 326.468 2.946 30 40 EFEB C#CCNC(=O)c1ccc(=O)n(Cc2c(Cl)cccc2Cl)c1 65547848 CCEXEVJHQCCVTA-UHFFFAOYSA-N 335.190 2.566 30 40 EFEB CCOC(=O)[C@@H](Cc1ccccc1)N(C)C(=O)c1cccc(C#N)c1 69740754 ZHWOIFUOWRSNGT-GOSISDBHSA-N 336.391 2.805 30 40 EFEB CCOC(=O)C1=C(C)NC(=O)[C@H](C#N)[C@H]1c1ccc(SC)cc1 4770796 YPAJFSODZRYGEU-UKRRQHHQSA-N 330.409 2.599 30 40 EFEB C/N=C(/NCc1noc(C)n1)NCC1(c2ccccc2)CCCC1 83152786 QHKQCFDHSUSBST-UHFFFAOYSA-N 327.432 2.555 30 40 EFEB N#Cc1cccc(C(=O)OC[C@H]2CC(=O)N(Cc3ccccc3)C2)c1 78948888 XNDSLKSGBULOLL-KRWDZBQOSA-N 334.375 2.764 30 40 EFEB C=CCOc1ccc(NC(=O)c2ccc(NS(C)(=O)=O)cc2)cc1 408616615 AQZAHFDVBBNMIC-UHFFFAOYSA-N 346.408 2.875 30 40 EFEB CC1(C)[C@@H]2CC[C@@]13CS(=O)(=O)N(Cc1cccc(C#N)c1)[C@@H]3C2 180692481 FNSDEAZXIQHKEM-NUJGCVRESA-N 330.453 2.899 30 40 EFEB C=CCOc1ccc(/C=C2\SC(=O)N(CCC(=O)O)C2=O)cc1 2414027 URJUWZQVWLZVRG-RAXLEYEMSA-N 333.365 2.762 30 40 EFEB O=C1Nc2c(cc(Cl)cc2[N+](=O)[O-])N/C1=C\C(=O)c1ccncc1 104238012 FPHRSDMDGVWWRI-XFFZJAGNSA-N 344.714 2.774 30 40 EFEB CC[C@@H](Sc1nc(C)nc(C)c1C#N)C(=O)Nc1cc(C)on1 25961996 LIWQXDLNIQESLA-GFCCVEGCSA-N 331.401 2.771 30 40 EFEB C=CCN(CCc1ccccc1)C(=O)c1nn(C)c(=O)c2ccccc12 58282819 JLOIBJPARSFXSZ-UHFFFAOYSA-N 347.418 2.804 30 40 EFEB C[C@@]1(c2ccc(C#N)cc2)NC(=O)N(C[C@H]2CC2(Cl)Cl)C1=O 12782146 GPWJHJONJQGXLC-RISCZKNCSA-N 338.194 2.519 30 40 EFEB C[C@H]1CC(=O)Nc2ccccc2N1C(=O)CNc1ccc(C#N)cc1 11155760 UGQHOWDRHGUYKV-ZDUSSCGKSA-N 334.379 2.734 30 40 EFEB CCN(CCC#N)Cn1nc(-c2ccccc2)c2c(C)onc2c1=O 65603723 JIABRASMUUAMKP-UHFFFAOYSA-N 337.383 2.553 30 40 EFEB C#CCOc1ccccc1CN1CCC(CC(=O)N2CCCC2)CC1 92056665 PVJYAHTWNGFCAM-UHFFFAOYSA-N 340.467 2.923 30 40 EFEB Cc1ccccc1N=C[C@H]1C(=O)NC(=O)N(c2ccccc2C)C1=O 408526871 HPECQFROLYNKHC-AWEZNQCLSA-N 335.363 2.905 30 40 EFEB Cc1ccccc1[C@H](C#N)NC(=O)CCc1nc(-c2ccoc2)no1 96417029 HXSDLZSMCVVMMC-HNNXBMFYSA-N 336.351 2.952 30 40 EFEB CN1N=C(c2ccc3c(c2)NC(=O)CO3)C[C@@H]1c1cccc(C#N)c1 89374753 HLAQSRPOGYMIDB-QGZVFWFLSA-N 332.363 2.670 30 40 EFEB Cc1cc(N2CCOCC2)ccc1/C=N/Nc1ncccc1[N+](=O)[O-] 409104322 CUMFGYSHNIAEJP-XDHOZWIPSA-N 341.371 2.581 30 40 EFEB O/C(=N\c1ncn(Cc2ccccc2)n1)[C@H]1COc2ccccc2O1 54114092 VJJOPBQLOSNXHO-MRXNPFEDSA-N 336.351 2.754 30 40 EFEB N#CCCN(CCC#N)C(=O)c1ccc(COc2ccccc2C#N)o1 58282552 GKEXMLWNFYPEDO-UHFFFAOYSA-N 348.362 3.000 30 40 EFEB COCCOc1ccc(NC(=O)N[C@H](C)c2ccc(C#N)cc2)cn1 65454178 RPSIHTKXAIEEMH-CYBMUJFWSA-N 340.383 2.861 30 40 EFEB CCSC[C@H](C)N(C)S(=O)(=O)c1ccc(C#N)cc1Cl 96500082 HBZBMMRUHHOXFR-JTQLQIEISA-N 332.878 2.974 30 40 EFEB COc1ccc([C@@H](C#N)C(=O)c2cc(OC)c3c(c2)OCCO3)cc1 85409892 LDPXJLFKJXSYAO-OAHLLOKOSA-N 339.347 2.965 30 40 EFEB N#Cc1ccnc(O[C@H]2CCCN(C(=O)Cc3ccccc3F)C2)c1 575606352 OCIYNBDKKSHEIR-INIZCTEOSA-N 339.370 2.705 30 40 EFEB Cc1nn(-c2ccccc2)cc1C(=O)[C@H](C#N)C(=O)N1CCCCC1 100700549 SWORYZJNDUUOSY-INIZCTEOSA-N 336.395 2.516 30 40 EFEB O=C1Oc2ccccc2C(=O)/C1=C\NNc1nc2ccccc2s1 102915018 OUHFYWHOTYDOKW-PKNBQFBNSA-N 337.360 2.899 30 40 EFEB COC(=O)c1sc(NC(=O)c2ccc3c(c2)OCO3)c(C#N)c1C 568457 HQLYXMOPLKUDAQ-UHFFFAOYSA-N 344.348 2.696 30 40 EFEB biogenic,in-vitro N#Cc1ncn(CC(=O)N2c3ccccc3CCc3ccccc32)n1 23082643 KSNBCRULCDDNQL-UHFFFAOYSA-N 329.363 2.613 30 40 EFEB CC[C@H](C)C(=O)NCCCc1nn(-c2ccc(F)cc2)c(N)c1C#N 25166124 KNCDJVHSBYDPAG-LBPRGKRZSA-N 343.406 2.560 30 40 EFEB COc1cccc([C@H]2CC(=O)N(N(C)C)C3=C2C(=O)CCC3)c1OC 1429507 DGGXANABHRGTQI-CYBMUJFWSA-N 344.411 2.503 30 40 EFEB Cc1occc1C(=O)N1CCN(Cc2cc(C#N)ccc2F)CC1 56513462 JQQZGRAPJYYOAF-UHFFFAOYSA-N 327.359 2.557 30 40 EFEB C[C@@H]1C[C@@H]1C(=O)N1CCCC[C@@H]1C(=O)N(C)Cc1ccc(C#N)cc1 69622363 JVBBQHHWTZDHCA-FHLIZLRMSA-N 339.439 2.554 30 40 EFEB CCOc1nc2ccccc2nc1[C@H](C#N)C(=O)NCc1ccccc1 5484001 XDNJGWXWEYQFEL-HNNXBMFYSA-N 346.390 2.952 30 40 EFEB O=[N+]([O-])c1cccc(/C=N/Nc2nc3ccccc3n3cnnc23)c1 4794026 VERVUXUHHJLLBD-RQZCQDPDSA-N 333.311 2.632 30 40 EFEB N#Cc1cccc(CNC(=O)N2CCO[C@@H](c3ccccc3F)C2)c1 67062552 KDLYBSSCRZCEOB-GOSISDBHSA-N 339.370 2.980 30 40 EFEB C/N=C(/NCc1cc(C)on1)NCc1ccc(C)cc1OCC1CC1 97021806 CUFICEOZONISGU-UHFFFAOYSA-N 342.443 2.945 30 40 EFEB C=CCN1C(=O)N/C(=C/c2ccc(-c3ccc(C(=O)O)cc3)o2)C1=O 409131166 MFVHPSCTSUKEMP-GXDHUFHOSA-N 338.319 2.724 30 40 EFEB C=CC/N=C(\NCc1cccs1)NCc1cccnc1N(C)C 75583346 FPSIHQJKKFUFTR-UHFFFAOYSA-N 329.473 2.631 30 40 EFEB CC(C)(C)OC(=O)NC[C@@H]1CCN(CCOc2cccc(C#N)c2)C1 75582092 YTDJQWYIEOYKLL-INIZCTEOSA-N 345.443 2.784 30 40 EFEB N#Cc1c(F)cccc1N1CCN(C[C@H](O)c2ccccc2)CC1 36396199 OLGCZWLMXAOHBY-IBGZPJMESA-N 325.387 2.553 30 40 EFEB O=[N+]([O-])c1cccc(CO/N=C/c2ccc(N3CCOCC3)cc2)c1 72809735 MRABLYFFWVIPRL-CPNJWEJPSA-N 341.367 2.982 30 40 EFEB C=CCn1c(C)nnc1S[C@H]1CCN(c2sccc2C#N)C1=O 83090651 QGNTTXPADBFOPF-LBPRGKRZSA-N 345.453 2.603 30 40 EFEB COc1ccc2c(c1)nc1n2[C@@H](CNCc2ccc(C#N)cc2)COC1 96112676 WRYSFHQUTLDZCA-INIZCTEOSA-N 348.406 2.778 30 40 EFEB biogenic,in-vitro C#C[C@@]1(O)[C@H]2CCc3cc(OC)ccc3[C@H]2CC[C@@]1(C)C(=O)OC 5029355 RZOOJWWRPOWKMX-LCLWPZTBSA-N 328.408 2.679 30 40 EFEB CC1=CC[C@H](/C(C)=C/CC[C@](C)(O)/C=C2/C(=O)C(C)=C[C@@H]2O)OC1=O 252676118 WALMEPYKXGNNSY-XUMSBYMPSA-N 346.423 2.542 30 40 EFEB biogenic,in-vitro CC(C)(C)c1ccc(OC[C@H]2CCN(c3ccc(C#N)nc3)C2)nn1 1888846747 CTOYDYYCATUWCY-AWEZNQCLSA-N 337.427 2.946 30 40 EFEB Cc1ccc(C(=O)N2C[C@H]3CN(c4ccc(C#N)cn4)C[C@@H]3C2)s1 1888857081 HQDHOFCPXMUVFG-HUUCEWRRSA-N 338.436 2.532 30 40 EFEB Cc1csc2nc(CS/C(N)=N/Cc3ccccc3)cc(=O)n12 29466779 NVEJSGXDVUVERG-UHFFFAOYSA-N 344.465 2.813 30 40 EFEB C=CCN(CCc1ccccc1)C(=O)C1CCN(C(=O)N(C)C)CC1 58308125 FQPNMVJXOLQSRZ-UHFFFAOYSA-N 343.471 2.637 30 40 EFEB N#Cc1ccc(CNCc2ccc(N3CCOCC3)c(F)c2)cc1 48748772 KLLPUWBEBQZORO-UHFFFAOYSA-N 325.387 2.824 30 40 EFEB Cc1ccc(C)c(N2CC(=O)C(c3nc4ccccc4n3C)=C2N)c1 5009292 KEASLZUSIVLWKL-UHFFFAOYSA-N 332.407 2.907 30 40 EFEB COc1n[nH]c(/N=C(\O)c2cc(-c3ccc(Cl)s3)on2)n1 97233729 IWFSJCVNGQQGIR-UHFFFAOYSA-N 325.737 2.820 30 40 EFEB C[C@@H](C#N)CN(C)C(=O)c1cn(-c2ccc(Br)cc2)cn1 89895831 UJJGHPYNVDVQAB-NSHDSACASA-N 347.216 2.866 30 40 EFEB COc1ccc(-n2c(C)cc(/C=N\NC(N)=S)c2C)cc1Cl 409063514 MAINOYAIOGTGNP-LSCVHKIXSA-N 336.848 2.923 30 40 EFEB Cc1cccc(/N=C2/C(=O)N(CN3CCN(C)CC3)c3ccccc32)c1 408718102 JKHIRMVADKHHBV-LSDHQDQOSA-N 348.450 2.667 30 40 EFEB COCCn1nc(OCc2cc(C(C)C)ccc2C)c(C#N)c1N 225838259 DYZJBWURYMNUMK-UHFFFAOYSA-N 328.416 2.994 30 40 EFEB O=S(=O)(/N=C(\O)Cn1ncc2ccccc21)c1ccc(F)cc1 96404761 JLJWIJIOALLRJM-UHFFFAOYSA-N 333.344 2.521 30 40 EFEB CC(C)(C#N)C(=O)N[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O 96496364 DLQMWGHEZUONOM-GFCCVEGCSA-N 340.210 2.765 30 40 EFEB C=CCNC(=S)N/N=C1\C(O)=Nc2c(Cl)cc(Cl)cc21 6503232 VZOUHMKFKCTMMG-UHFFFAOYSA-N 329.212 2.949 30 40 EFEB COC(=O)C1=C(N)OC2=C(C(=O)CCC2)[C@H]1c1ccc(Cl)cc1 62226 LXOSCEKXMYMLRW-CYBMUJFWSA-N 333.771 2.804 30 40 EFEB N#Cc1ccc(C(=O)N2C[C@H](c3ccccc3)[C@H](c3ncon3)C2)cc1 238878128 OOOSDJRRWPWVMN-QZTJIDSGSA-N 344.374 2.965 30 40 EFEB Cn1ccnc1C(=O)[C@H](C#N)C(=O)[C@H]1C[C@@H]1c1ccc(Cl)cc1 101735969 FFUSCMCEDZLZGD-HZSPNIEDSA-N 327.771 2.769 30 40 EFEB COc1c([C@H]2CCCN2C(=O)c2sccc2C#N)c(C)nn1C 75602458 YHUKRCINYAAABK-GFCCVEGCSA-N 330.413 2.648 30 40 EFEB C=CCNC(=O)c1ccccc1NC(=O)COc1cccc(OC)c1 55052720 IHONSBIXRHSTOF-UHFFFAOYSA-N 340.379 2.629 30 40 EFEB O=C1[C@H]2[C@@H]3C=C[C@@H]([C@H]4C[C@H]34)[C@@H]2C(=O)N1/N=C/c1c[nH]c2ccccc12 100228404 KHLAISZHHLNBQU-QKZHLXLKSA-N 331.375 2.555 30 40 EFEB C=CCNC(=O)COc1ccc(Br)cc1Br 1808068 QNHFXLLYZRBNGD-UHFFFAOYSA-N 349.022 2.893 30 40 EFEB CCOc1ccc2c(c1)/C(=N/Nc1cccc(C(=O)O)c1)C(=O)N2C 13120087 KWKWGNQSWHTQJD-SILNSSARSA-N 339.351 2.576 30 40 EFEB N#CCCn1ncc2c(NCc3cnn(-c4ccccc4)c3)ncnc21 97199729 MNZKOBFFNGFOLZ-UHFFFAOYSA-N 344.382 2.538 30 40 EFEB Cc1ccc(C(=O)NCC(=O)N[C@@H](C#N)c2ccc(Cl)cc2)s1 69419428 JCHUJPYPXPGVCD-ZDUSSCGKSA-N 347.827 2.821 30 40 EFEB N#C[C@H](NC(=O)CCc1cscn1)c1cnn(-c2ccccc2)c1 71890185 VZZYZCIKJDGWNS-INIZCTEOSA-N 337.408 2.642 30 40 EFEB N#Cc1cnc2c(F)cc(F)cc2c1NCC(=O)NCc1ccco1 79002345 IRCIVZVWRVHGNC-UHFFFAOYSA-N 342.305 2.706 30 40 EFEB CCS(=O)(=O)N(C)c1ccc(C(=O)Nc2cccc(C#N)c2)cc1 225964652 QKFMUCJVIQHPJY-UHFFFAOYSA-N 343.408 2.596 30 40 EFEB C=CCOC(=O)c1cc(-n2cnnc2)ccc1N1CCCC[C@@H]1C 226278620 FCETVXZHGVBVRZ-AWEZNQCLSA-N 326.400 2.989 30 40 EFEB C=CCN1C(=O)CC[C@]12CCCN(C(=O)c1ccncc1)[C@H]2CC 96052464 YQIISCDJIRRXLA-LPHOPBHVSA-N 327.428 2.643 30 40 EFEB CCCCCCCNC(=O)CCC(=O)NCc1ccc2c(c1)OCO2 98045221 KUGGCASHZPAUTE-UHFFFAOYSA-N 348.443 2.898 30 40 EFEB C=CCCC(=O)[C@H]1CCCN1S(=O)(=O)c1ccc(C(C)=O)cc1 585114666 QINVSHPJRGLXHA-MRXNPFEDSA-N 335.425 2.578 30 40 EFEB CCCc1noc(CCCC(=O)N(CCC#N)Cc2ccco2)n1 69514334 SUNLATDUIHDNFX-UHFFFAOYSA-N 330.388 2.880 30 40 EFEB CCNC(=O)C[C@H]1S/C(=N\c2ccc(Cl)cc2)N(CC)C1=O 18100248 SZPDIDVXMXQKPT-LOPKLFAVSA-N 339.848 2.818 30 40 EFEB C=CCN1C(=O)C(C)(C)COc2cc(NC(=O)[C@@H]3CCCO3)ccc21 8958723 JPEPESKSELAEDO-HNNXBMFYSA-N 344.411 2.742 30 40 EFEB C=C[C@@H](O)C#CC#CCCCCCCC/C=C\[C@H](O)COC(C)=O 31162128 QOFRZLPEVGHKCQ-BHUWDGLRSA-N 332.440 2.751 30 40 EFEB biogenic,in-vitro COc1ccc(CCN2C(=O)CCC3=C2CCCC3=O)cc1OC 1581806 PYOVYEYGDRSQGH-UHFFFAOYSA-N 329.396 2.876 30 40 EFEB C[C@H]([C@@H]1C[C@H]2CC[C@H]1C2)N1CC(=O)C(c2nc3ccccc3[nH]2)=C1N 102281955 NIVUXOQOVIGZAB-RFGFWPKPSA-N 336.439 2.900 30 40 EFEB Cc1cccc(NC(=O)[C@@H](C#N)C(=O)COc2ccc(F)cc2)c1 103504093 WREYDOOZBMCDHC-INIZCTEOSA-N 326.327 2.861 30 40 EFEB C[S@](=O)c1cccc(NC(=O)NCc2cc(C#N)ccc2F)c1 76070021 GOSFAXRSHLNMLO-HSZRJFAPSA-N 331.372 2.756 30 40 EFEB CC(C)[C@@](C)(C#N)NC(=O)CSc1nnc(-c2cccs2)o1 3358703 SVDLSESOVAULFC-CQSZACIVSA-N 336.442 2.945 30 40 EFEB O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)/N=C(\O)c1ccco1 58168382 ITUJGWYRCIZHCT-UHFFFAOYSA-N 330.705 2.535 30 40 EFEB C=CCOC(=O)c1sc(NC(=O)COc2ccccc2)nc1C 5027468 PWDRCUNLOUIKHX-UHFFFAOYSA-N 332.381 2.812 30 40 EFEB C[C@]12CCC(=O)N1[C@H](C(=O)Nc1sc3c(c1C#N)CCC3)CS2 65594648 AMXLFHFFXJYUCJ-ZBEGNZNMSA-N 347.465 2.501 30 40 EFEB CCOc1ccc([C@@H]2C3=C(CC(C)(C)CC3=O)Nc3nnnn32)cc1 6656910 UTHIEZVKQOYODM-MRXNPFEDSA-N 339.399 2.730 30 40 EFEB COC(=O)[C@H](Nc1ccc2c(c1)CCC(=O)N2C)c1cccc(C#N)c1 83031331 ZUFAFTKURAEFLC-LJQANCHMSA-N 349.390 2.793 30 40 EFEB C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)CN(C)c1ccc(C#N)cn1 67787985 XMFSAWAZYSATRX-GFCCVEGCSA-N 344.365 2.887 30 40 EFEB NS(=O)(=O)c1ccc(N/N=C/c2c(O)ccc3ccccc23)cc1 7699009 LXIMDAZTSTXPSL-YBFXNURJSA-N 341.392 2.639 30 40 EFEB N#Cc1ccccc1N1CCN(C(=O)NCc2ccsc2)CC1 69452610 NHFAQMWGHKPSPL-UHFFFAOYSA-N 326.425 2.652 30 40 EFEB N#C[C@@]1(NC(=O)c2ccc(F)c(COCC3CC3)c2)CCSC1 96430810 QGULTRAYSKNQCF-KRWDZBQOSA-N 334.416 2.881 30 40 EFEB CC(C)CCS(=O)(=O)/N=C(\O)c1cc(Cl)c2c(c1)OCCO2 84510777 MNKJKSHDBZWBFP-UHFFFAOYSA-N 347.820 2.792 30 40 EFEB O=C(NCC#Cc1ccccc1)N1CCc2ccc([N+](=O)[O-])cc2C1 89821661 BVCNAKSEORQBIB-UHFFFAOYSA-N 335.363 2.714 30 40 EFEB COc1ccc(/N=C\c2cccc(OC)c2O[C@H](C)C(=O)O)cn1 409232378 OMBQYJICMYQGLS-RGVUVNHFSA-N 330.340 2.701 30 40 EFEB C=CC[C@H](CC)NC(=O)Nc1ccc(S(=O)(=O)NC2CC2)cc1 281475857 UXOFQJMOYKDQPX-LBPRGKRZSA-N 337.445 2.604 30 40 EFEB C=CCn1c(SCC(=O)NCCc2ccccc2)nnc1C1CC1 11428191 VDJKHDMNPYFZNJ-UHFFFAOYSA-N 342.468 2.793 30 40 EFEB COCCCn1c(C)c(C)c(C#N)c1NC(=O)CN1CCCCCC1 12815424 HESBNEUYWMXNBH-UHFFFAOYSA-N 346.475 2.828 30 40 EFEB CC(=O)C1=C(O)N2[C@H](C1=O)[C@H]1c3c[nH]c4cccc(c34)C[C@H]1C2(C)C 29084193 RLOAZVAJNNPPDI-DQYPLSBCSA-N 336.391 2.828 30 40 EFEB biogenic,in-vivo C=CCOc1ccc([C@@H]2Nc3ccccc3S(=O)(=O)N2C)cc1 40156508 RTDXWDXWNWTVPS-QGZVFWFLSA-N 330.409 2.996 30 40 EFEB CC(=O)c1sc(NC(=O)CSc2nccc(C)n2)c(C#N)c1C 574237 ZWUBCHSZWXHWEJ-UHFFFAOYSA-N 346.437 2.960 30 40 EFEB N#Cc1ccccc1CS(=O)(=O)Cc1ccc(-n2cccn2)cc1 69588692 WWJUTJWSYXRHGQ-UHFFFAOYSA-N 337.404 2.859 30 40 EFEB CC(C)c1nc(OCC(=O)NCc2ccco2)c(C#N)c2c1CCC2 12321307 MPQPXTJUAAGORZ-UHFFFAOYSA-N 339.395 2.854 30 40 EFEB COc1ccc(OC)c([C@@H]2C3=C(C[C@H](C)CC3=O)Nc3ncnn32)c1 22608052 ORNMVMUVYGUWTE-DYZYQPBXSA-N 340.383 2.563 30 40 EFEB Cc1cc(C(=O)N2CCN(c3ccc(C#N)cc3F)CC2)c(C)o1 58245549 PRHUEISHTOZGQG-UHFFFAOYSA-N 327.359 2.870 30 40 EFEB C=CCNC(=S)Nc1c(C(=O)OCC)[nH]c2ccc(OC)cc12 2357181 LOISQTICFCRLBZ-UHFFFAOYSA-N 333.413 2.826 30 40 EFEB Cc1ccc(-n2nc(NCC(=O)N[C@@](C)(C#N)C3CC3)cc2C)cc1 97034878 OYGZTHYJEIQDMW-IBGZPJMESA-N 337.427 2.710 30 40 EFEB O=C(O)COc1cccc(C(=O)/C=C/c2ccc3c(c2)OCCO3)c1 13357552 YGFJETVNRZDBMU-GQCTYLIASA-N 340.331 2.817 30 40 EFEB C=C(Br)CNC(=O)c1ccc2c(O)[nH]c(=S)nc2c1 49297304 ONOAZPBKVCDGKE-UHFFFAOYSA-N 340.202 2.636 30 40 EFEB N#CCCn1ncc2c(Nc3ccc(N4CCCCC4)nc3)ncnc21 65552730 BNROCNPPWMEGCF-UHFFFAOYSA-N 348.414 2.869 30 40 EFEB O=S(=O)(N/N=C(\c1ccccc1)c1ccccn1)c1ccccc1 5584427 JDOJMEOKZJQAAN-CZIZESTLSA-N 337.404 2.813 30 40 EFEB CC1(C)Cc2c(C#N)c(N)n(Cc3cccnc3)c(=S)c2CO1 9060965 WZBCUDRSEMKZIN-UHFFFAOYSA-N 326.425 2.966 30 40 EFEB COc1cccc(/C=N/c2ccc(C(=O)O)cc2)c1O[C@@H](C)C(=O)O 409232036 GSDDBRDIWXPYMI-VSMYLPJWSA-N 343.335 2.996 30 40 EFEB C=CCn1c(N)c(C(=O)O[C@@H](C)COC)c2nc3ccccc3nc21 4953393 JSDWXBIUTOYPTM-NSHDSACASA-N 340.383 2.544 30 40 EFEB C=CCN(CC=C)C(=O)COC(=O)c1ccc(OC(F)F)cc1 7786857 COBURQANGRZECW-UHFFFAOYSA-N 325.311 2.645 30 40 EFEB Cc1noc(C)c1C[C@@H](C)/C(O)=N/S(=O)(=O)c1ccc(F)cc1 84023143 XVOUNFSNGQVDLI-SECBINFHSA-N 340.376 2.955 30 40 EFEB Cc1ccc(C#N)cc1S(=O)(=O)Nc1c(C)cccc1C(=O)O 73353674 OMVOJUYBCDIHRB-UHFFFAOYSA-N 330.365 2.674 30 40 EFEB N#Cc1ccc(NC(=O)CCN2CCCC[C@@H]2CCO)cc1Cl 78776817 CFUZMBGCKHLXSK-OAHLLOKOSA-N 335.835 2.777 30 40 EFEB CCOC[C@]1(C#N)[C@H](c2ccc(Cl)cc2)[C@@H]1S(=O)(=O)CC 218391070 ZIILAHBQBJDNEC-QLFBSQMISA-N 327.833 2.787 30 40 EFEB COc1ccccc1OCCN1C(=O)/C(=N/O)c2cc(Cl)ccc21 100756144 MVRYSCRFIHDYMO-KNTRCKAVSA-N 346.770 2.953 30 40 EFEB Cc1nn(Cc2nc3ccccc3n2C(F)F)c(=O)c(C#N)c1C 31756663 YQGGKYAPOKQRGN-UHFFFAOYSA-N 329.310 2.525 30 40 EFEB Cc1ccc(S(=O)(=O)/N=C(\O)Nc2ccc(F)c(F)c2)cc1 4996873 FAYUPQULOODNSS-UHFFFAOYSA-N 326.324 2.988 30 40 EFEB O=C1[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@H]34)[C@H]2C(=O)N1/N=C/c1ccc(Cl)cc1 100199792 RJMHKOAACSZNAE-MVBTWDJNSA-N 326.783 2.727 30 40 EFEB C=CCNC(=O)c1cccc(S(=O)(=O)Nc2ccc(C)cc2)c1 8294904 YUTVNCTWQNGSQF-UHFFFAOYSA-N 330.409 2.712 30 40 EFEB N#Cc1cccc(S(=O)(=O)Nc2ccn(Cc3ccccc3)n2)c1 55635787 URPAUBQSCGIVGK-UHFFFAOYSA-N 338.392 2.604 30 40 EFEB COc1cc2c(cc1OC)CCN(C)C(C(=O)c1ccc(N)cc1)=C2 62001621 OFFHTQZSLHUWEL-UHFFFAOYSA-N 338.407 2.998 30 40 EFEB biogenic N#Cc1cccnc1NCCNC(=O)c1cc(-c2cccs2)on1 58407616 BTAHSPLTFLEYJI-UHFFFAOYSA-N 339.380 2.512 30 40 EFEB O=C(/N=C1/NCCS1)C1(c2cccc(Br)c2)CC1 58646678 RTLGKMXULPEOIW-UHFFFAOYSA-N 325.231 2.700 30 40 EFEB N#Cc1cccc(C(=O)N2CCNC(=O)[C@H]2c2ccccc2Cl)c1 62689419 WVZOEPIOFRAXMW-MRXNPFEDSA-N 339.782 2.525 30 40 EFEB C=CCON1C(=O)[C@@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O 4092582 RBLWRYYMFWBHIM-CSODTCANSA-N 331.371 2.996 30 40 EFEB CO[C@@H](C)/C(O)=N/S(=O)(=O)c1ccc(F)cc1C(F)(F)F 69900512 IFUIUJCLSSFBBK-LURJTMIESA-N 329.271 2.525 30 40 EFEB N#CC1(NC(=O)COC(=O)c2cc3ccccc3[nH]2)CCCCC1 5531556 YFTUWDASLOBCAD-UHFFFAOYSA-N 325.368 2.667 30 40 EFEB CCOC(=O)COc1ccc(C=C2C(=O)CC(C)(C)CC2=O)cc1 33607625 FYYCXSNFUITYJB-UHFFFAOYSA-N 330.380 2.970 30 40 EFEB C#CCCN1CCN(C(=O)c2ccc(C)c(Oc3ccncc3)c2)CC1 79361706 UIPYEVIUNSEPDR-UHFFFAOYSA-N 349.434 2.963 30 40 EFEB CCN(C[C@@H]1CCN(C(=O)c2ccc(C#N)cc2)C1)CC(F)(F)F 81448156 OTLZLBSKSKUGOM-AWEZNQCLSA-N 339.361 2.905 30 40 EFEB N#Cc1ccc(CN2CCNC(=O)[C@@H]2c2ccc(C(F)(F)F)cc2)o1 93819584 MPKYZCKKPWZVNW-HNNXBMFYSA-N 349.312 2.843 30 40 EFEB Cc1ccc(S(=O)(=O)/N=C(/O)Cc2cc(F)c(F)cc2F)cn1 330032267 KMOKTRYKMUFEMN-UHFFFAOYSA-N 344.314 2.695 30 40 EFEB N#Cc1cccc(CNC[C@H]2Cn3nnc(-c4ccccc4)c3CO2)c1 96199277 VPYYNJWICUOVNS-SFHVURJKSA-N 345.406 2.505 30 40 EFEB C[C@H](NC(=O)Nc1ccc(F)cc1C#N)[C@@H]1C[C@H](C(=O)O)C1(C)C 593956377 LXWOSYLQZVSTFN-TVYUQYBPSA-N 333.363 2.954 30 40 EFEB CN(C)c1ccc([C@@H]2CCCN2c2ncc(C#N)cc2Cl)nn1 591612354 FXRCKNTUDQZDJD-AWEZNQCLSA-N 328.807 2.804 30 40 EFEB C[C@H]1CN(C(=O)CO/N=C/c2ccc(Cl)c(Cl)c2)C[C@H](C)O1 20858073 LSMKVBMNINCJND-WIJDNPILSA-N 345.226 2.980 30 40 EFEB CCCc1noc(CN2CCCN(Cc3ccc(C#N)cc3)CC2)n1 22931701 RZVXGHIEJFRCIA-UHFFFAOYSA-N 339.443 2.602 30 40 EFEB N#Cc1ccccc1NC(=O)COC(=O)c1ccc2ccccc2n1 5079834 CXWBSPMDRQCYLE-UHFFFAOYSA-N 331.331 2.902 30 40 EFEB Cc1nc(C)n(C[C@@H]2CCCCN2CCOc2ccc(C#N)cc2)n1 69875292 ACBSOESOOJCIAY-SFHVURJKSA-N 339.443 2.700 30 40 EFEB Cc1ccc2c(c1CC[C@H](O)C(C)(C)O)C(=O)C(=O)C(C(C)C)=C2 14690083 NZIUPDOWWMGNCV-INIZCTEOSA-N 330.424 2.864 30 40 EFEB biogenic,investigational C[C@@H](Oc1ccc(C#N)cc1)C(=O)Nc1ccccc1C(=O)NC1CC1 15318332 LOVVKLWQJZHHBX-CYBMUJFWSA-N 349.390 2.856 30 40 EFEB CC/N=C1/S[C@H](CC(=O)Nc2ccc(C)cc2C)C(=O)N1CC 7883618 LSGCLMYUAGUOKE-IAFNSTAXSA-N 333.457 2.972 30 40 EFEB N#Cc1ccc(Cn2cc([C@@H]3OCCN3c3ccc(F)cc3)nn2)cc1 216771045 QYSFMLVZRMGMOT-IBGZPJMESA-N 349.369 2.873 30 40 EFEB N#Cc1ccc(C(=O)N2CCNC(=O)[C@@H]2c2ccccc2Cl)cc1 97372153 XEBYQVQSWIZGHJ-INIZCTEOSA-N 339.782 2.525 30 40 EFEB N#CCCC[C@@H](NC(=O)N1CC(F)(F)C[C@@H]1CO)c1ccccc1 590942169 FKFXRNGYNCXXLC-HUUCEWRRSA-N 337.370 2.833 30 40 EFEB C#CCOC1CCN(C(=O)c2ccc(F)c(Br)c2)CC1 95403538 MLZZLZLQFFULDL-UHFFFAOYSA-N 340.192 2.843 30 40 EFEB C#C[C@]1(O)CC[C@H]2[C@@H]3C[C@@H](O)C4=CC(=O)CC[C@H]4[C@H]3CC[C@]21CC 1569995727 LUDPEOWAWHAHEP-JSUYNQPISA-N 328.452 2.853 30 40 EFEB C#CCn1/c(=N/C(=O)c2ccccc2[N+](=O)[O-])sc2ccccc21 100875198 YATCBKWXJORKOK-ZCXUNETKSA-N 337.360 2.985 30 40 EFEB C[C@@H](Oc1ccc(C#N)cc1)C(=O)Nc1cccnc1N1CCCC1 40536348 MRYRKODQFDCDLY-CQSZACIVSA-N 336.395 2.959 30 40 EFEB Cn1nc(C(F)(F)F)c(C#N)c1N1CCN(Cc2ccccc2)CC1 52534068 PXGHVCYLZYVJHV-UHFFFAOYSA-N 349.360 2.633 30 40 EFEB C[C@@H](Oc1ccccc1C#N)C(=O)N1CCN(Cc2ccccc2)CC1 22384970 IRGZHLXQRACJEQ-QGZVFWFLSA-N 349.434 2.670 30 40 EFEB Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N[C@H]1CCc2ccccc21 53476868 WQYVYZVWYLBKFK-SFHVURJKSA-N 335.407 2.600 30 40 EFEB C[C@H]1CN(C(=O)CNc2cccc(C#Cc3cccs3)c2)CCO1 56395438 XHYHWWZPGDYOOV-HNNXBMFYSA-N 340.448 2.807 30 40 EFEB O=S(=O)(Cc1ccc(Cl)nc1)/N=C(\O)COC1CCCCC1 58153430 TWUPMKPFASCTDE-UHFFFAOYSA-N 346.836 2.871 30 40 EFEB C=CCNC(=O)CSc1nnc(-c2ccc(OC)cc2)n1C(C)C 3481664 YAEGUNUNXWHJBQ-UHFFFAOYSA-N 346.456 2.929 30 40 EFEB Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H](C)CCc1ccco1 12946539 CGJDHLDZGLSCPN-LBPRGKRZSA-N 341.411 2.527 30 40 EFEB O=C(O)COc1ccc(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)cc1 13344105 QGPPQQDXROSFDC-XCVCLJGOSA-N 327.292 2.954 30 40 EFEB C[C@](C#N)(NC(=O)COC(=O)c1ccc2ccccc2c1O)C1CC1 6121725 NWWGCVWLDVOAHR-LJQANCHMSA-N 338.363 2.511 30 40 EFEB Cc1nc2ccc(Br)cc2c(=O)n1N=Cc1cccnc1 409284089 KSWRKUXFZBHFQW-UHFFFAOYSA-N 343.184 2.745 30 40 EFEB C=C(C)COc1cccc(NC(=O)C2CCN(C(=O)N(C)C)CC2)c1 66463238 VWFXPMPDXRHYHB-UHFFFAOYSA-N 345.443 2.974 30 40 EFEB C[C@@H](OC(=O)c1cccc(N(C)C)c1)C(=O)NC1(C#N)CCCCC1 7436234 IYJYRCGNMWFCLZ-CQSZACIVSA-N 343.427 2.641 30 40 EFEB C#Cc1cccc(N(Cc2cccs2)C(=O)[C@H]2CCNC(=O)C2)c1 89261899 GRWFWPHLPSJMFG-HNNXBMFYSA-N 338.432 2.789 30 40 EFEB C=CCN(Cc1cccc(C#N)c1)C(=O)c1ccc(-n2ccnn2)cc1 89784116 CDMSGGJYZGTTRC-UHFFFAOYSA-N 343.390 2.967 30 40 EFEB C=C[C@](C)(CC)C(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1F 187947810 IKWJKUHJWMQSKZ-OAHLLOKOSA-N 328.409 2.617 30 40 EFEB CC(C)(C)n1cnnc1S[C@@H]1CCN(c2sccc2C#N)C1=O 83092173 SCKAEULWGSVHIN-LLVKDONJSA-N 347.469 2.864 30 40 EFEB CC(C)n1cc([C@]2(O)CCCN(c3c(Cl)cccc3C#N)C2)nn1 583616732 KEYSOEXXZXVTLO-KRWDZBQOSA-N 345.834 2.872 30 40 EFEB C[C@H](c1ccccn1)N(C)S(=O)(=O)c1ccc(Cl)cc1C#N 96427829 JIHOSQZBUULKNP-LLVKDONJSA-N 335.816 2.988 30 40 EFEB N#C[C@H]1CCC[C@H]1NC(=O)c1nn(-c2cccc(Cl)c2)cc1O 597338418 HKOYOVMNFGWHST-ZWNOBZJWSA-N 330.775 2.653 30 40 EFEB CSc1nc(SCc2ccc(C(=O)O)cc2)nc(N)c1C#N 5798532 XJBQXWOVKUVFPY-UHFFFAOYSA-N 332.410 2.643 30 40 EFEB CCC(=N\O)/C(=N\NS(=O)(=O)c1ccc(C)cc1)c1ccccc1 19205464 ITRWOJUXHBNTSN-XTCPURHUSA-N 345.424 2.918 30 40 EFEB Cc1cc(N2CCN(c3cc(C#N)c4ccccc4n3)CC2)ncn1 1889151911 HWICYGGSTWKBHV-UHFFFAOYSA-N 330.395 2.532 30 40 EFEB N#Cc1ccnc(OC[C@H]2CCCN(c3ncnc4cnccc34)C2)c1 1776007835 HDTOCOFTZCLTSB-HNNXBMFYSA-N 346.394 2.587 30 40 EFEB C=CCO[C@H]1Oc2ccccc2C(=O)/C1=C/Nc1nnc(S)s1 6761210 KUSJVOJQIIOVHD-KJJQSCHISA-N 347.421 2.927 30 40 EFEB CCN(CC)C(=O)c1sc(NC(=O)[C@@H]2CCCO2)c(C#N)c1C 2761284 BJIQTPCHRNDUKA-LBPRGKRZSA-N 335.429 2.528 30 40 EFEB COC(=O)CCCCCNC1=C(Cl)C(=O)c2ccccc2C1=O 100951600 NLDLNPQKDJZWDC-UHFFFAOYSA-N 335.787 2.839 30 40 EFEB CCC[C@@H](C#N)NC(=O)[C@H](C)n1c(S)nnc1-c1cccs1 65591099 ZXVVGMDECPTKOF-UWVGGRQHSA-N 335.458 2.665 30 40 EFEB C[C@@H](O/N=C(/N)c1cccs1)C(=O)Nc1ccc(F)c(F)c1F 67768991 TYXRUAZUSLSACF-SSDOTTSWSA-N 343.330 2.830 30 40 EFEB N#Cc1ccc(OC2CCC(NC(=O)CC(F)(F)F)CC2)nc1 92035504 JRBLAARUVDLILG-UHFFFAOYSA-N 327.306 2.712 30 40 EFEB CCOC1(OCC)N=C(N)[C@@]2(C#N)[C@@H](c3ccccc3Cl)[C@@]12C#N 26456151 CVHHGBAXYMRGOY-FVQBIDKESA-N 344.802 2.555 30 40 EFEB COC(=O)N1CCC(N[C@@H](CCC#N)c2ccc(OC)cc2)CC1 95940784 IMRAXUKDKDKFRL-KRWDZBQOSA-N 331.416 2.860 30 40 EFEB N#Cc1cc(N[C@@H]2CCN(C3CCCCC3)C2=O)ccc1[N+](=O)[O-] 95944350 QURJFIRLMQMCFZ-OAHLLOKOSA-N 328.372 2.812 30 40 EFEB COc1ccccc1NC(=O)Cn1c(C#N)cc(N)c1CC(C)C 225860879 LIYJHNNGCWKLPZ-UHFFFAOYSA-N 326.400 2.788 30 40 EFEB N#CCCn1ccc(N[C@@H]2CCN(c3ccc(F)c(Cl)c3)C2=O)n1 96494480 DVQSWDLZQJYQCR-CQSZACIVSA-N 347.781 2.807 30 40 EFEB Cc1[nH]c(=O)nc(SCC(=O)Nc2ccccc2C(C)C)c1C#N 32776356 AODIFULJSSHUOI-UHFFFAOYSA-N 342.424 2.804 30 40 EFEB CC(=O)[C@]1(O)CC[C@H]2[C@@H]3C[C@H](O)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 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HSIWHPYILFIYGU-GOSISDBHSA-N 338.407 2.965 30 40 EFEB N#Cc1cccc([C@@H](NCCc2cccc(F)c2)P(=O)(O)O)c1 12998747 KWWLXVFHVDONPA-INIZCTEOSA-N 334.287 2.706 30 40 EFEB C/C(=N\NC(=N)N)c1ccc(NC(=S)Nc2ccccc2)cc1 17005528 AWTKMPYJPASKGD-SRZZPIQSSA-N 326.429 2.703 30 40 EFEB CCOc1ccc(/C=N/O[C@H](C)C(=O)Nc2cc(C)on2)cc1OC 15367517 NMCUCLQWHOFXHJ-SGEFVQMOSA-N 347.371 2.768 30 40 EFEB N#Cc1ccc(NC(=O)CCn2cc(Br)ccc2=O)cc1 33512941 CXRLFTVGFCZBBP-UHFFFAOYSA-N 346.184 2.511 30 40 EFEB COc1ccc([C@@H]2Nc3nonc3NC3=C2C(=O)CCC3)cc1OC 12321736 CHNOTAYMEGRUAW-HNNXBMFYSA-N 342.355 2.673 30 40 EFEB C=CCO/N=C(/CCC)C1=C(NC)CC(C)(C)[C@@H](C(=O)OC)C1=O 100668516 WIPMKZYRWQSAJZ-GEYIUBJWSA-N 336.432 2.607 30 40 EFEB Cc1cc([C@H]2CCCN(CC(=O)NC3(C#N)CCCCCC3)C2)n[nH]1 84110936 BADNYVXCKJJVHX-INIZCTEOSA-N 343.475 2.630 30 40 EFEB CCOc1ccccc1N1CCN(C(=O)c2cccc(C#N)c2)CC1 2635117 RSRBIXVZYJVJIK-UHFFFAOYSA-N 335.407 2.919 30 40 EFEB CCOc1cc(C(=O)N(C)C)ccc1NCc1cc(C#N)n(C)c1C 97051402 HRRCXPIGOCHXBO-UHFFFAOYSA-N 340.427 2.918 30 40 EFEB Cc1oc(-n2cccc2)c(C#N)c1C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1 25467046 NTXRHNZKYHGCQP-UHFFFAOYSA-N 347.334 2.672 30 40 EFEB N#CCCN(C(=O)COC(=O)c1[nH]nc2ccccc12)c1ccccc1 6315750 CVQDFWQXWFGULV-UHFFFAOYSA-N 348.362 2.667 30 40 EFEB O=C1/C(=N\n2cnnc2)c2ccccc2N1Cc1ccccc1Cl 22356057 WBNAJEOERZEJLU-PGMHBOJBSA-N 337.770 2.731 30 40 EFEB C[C@H](c1nc(C2CC2)no1)N1CCN(Cc2ccccc2C#N)CC1 69418491 AVYVJAXPXLCTRH-CQSZACIVSA-N 337.427 2.697 30 40 EFEB CC(C)(C)c1cnc(CN2CCN(c3ccc(C#N)cn3)CC2)o1 71821767 IERXEICHGLRCFW-UHFFFAOYSA-N 325.416 2.561 30 40 EFEB C=C(C)CNC(=O)N[C@H](C)c1cc(F)ccc1N1CCN(C)CC1 119065914 AJMQKFLERGCDKC-CQSZACIVSA-N 334.439 2.514 30 40 EFEB Cc1cccc2c(NC[C@H](c3cnn(C)c3)N(C)C)c(C#N)cnc12 78290462 JKQRBOJRRUEXJE-QGZVFWFLSA-N 334.427 2.863 30 40 EFEB C=CCc1cc(C(=O)NC[C@@H]2COc3ccccc3O2)ccc1OC 225256472 PVZSDANWHXOMTM-MRXNPFEDSA-N 339.391 2.994 30 40 EFEB COc1ccc(C(=O)Nc2nn(C)cc2C#N)cc1-c1ccccn1 95438230 OOUACSDKKIGABY-UHFFFAOYSA-N 333.351 2.615 30 40 EFEB COC(=O)N1CCc2ccc(NC(=O)c3cccc(C#N)c3)cc2C1 96096244 DDSUPWAQWIJHHV-UHFFFAOYSA-N 335.363 2.935 30 40 EFEB Cc1cccn2cc(CCNC(=O)N3CCC(CC#N)CC3)nc12 611619909 HVKQNSCEMQRPNO-UHFFFAOYSA-N 325.416 2.521 30 40 EFEB CC(=O)N1CCc2cc(/N=C/c3cccc([N+](=O)[O-])c3O)ccc21 242020 FMULROAXWHXILT-VCHYOVAHSA-N 325.324 2.960 30 40 EFEB C=CCn1c(C)nnc1S[C@@H](C)C(=O)Nc1ccc(N(C)C)cc1 12635477 NUABDRNHTJGMBF-LBPRGKRZSA-N 345.472 2.958 30 40 EFEB C[C@H](Oc1ccc(C#N)cc1)C(=O)Oc1ccc(-c2nnco2)cc1 14794706 YIZSIQGQPQQSLB-LBPRGKRZSA-N 335.319 2.981 30 40 EFEB CCOC(=O)CSc1nc(N)c(C#N)c(-c2ccccc2)c1C#N 20065118 OYTZPJCLSJFOLZ-UHFFFAOYSA-N 338.392 2.729 30 40 EFEB C=C(C)C[C@H]1N(c2ccccc2F)C(=O)[C@H]2[C@@H](C(=O)O)[C@H]3C=C[C@]21O3 4454614 VSBXQTUZEZYYDS-RUEZSYAVSA-N 343.354 2.532 30 40 EFEB COc1ccc(O)c(/C=N/n2cnc3c([nH]c4ccc(C)cc43)c2=O)c1 500593 FCAPAOLZSPINEG-ZVBGSRNCSA-N 348.362 2.783 30 40 EFEB Cc1cccc(NC(=O)[C@H](C#N)C(=O)CCc2c(C)nn(C)c2C)c1 103504138 NEDYCCLZCYEDFJ-QGZVFWFLSA-N 338.411 2.626 30 40 EFEB C[C@]1(c2ccc(F)cc2F)NC(=O)N(Cc2ccc(C#N)cc2)C1=O 47358941 PXJQZCYJKYDPLE-GOSISDBHSA-N 341.317 2.804 30 40 EFEB NC(=O)[C@H]1C2=C(CCCC2)S[C@H]1/N=C\c1ccc(O)c([N+](=O)[O-])c1 100277622 KOVLWMKSLDDAAI-JZSMETOZSA-N 347.396 2.722 30 40 EFEB CCN(CC)CCn1cc(NC(=O)/C=C/c2ccc(C#N)cc2)cn1 58292010 XESPBMCSDRFVFW-MDZDMXLPSA-N 337.427 2.748 30 40 EFEB Cc1cc(F)ccc1S(=O)(=O)Nc1ccccc1C(=O)OCC#N 12631228 XVVYGAORRWHECM-UHFFFAOYSA-N 348.355 2.615 30 40 EFEB O=c1[nH]c2cc3c(cc2cc1/C=N/Nc1nc2ccccc2[nH]1)OCO3 8740619 LTFHQJQJFDVBFR-UFWORHAWSA-N 347.334 2.579 30 40 EFEB CN1C(=O)[C@](O)(CC(=O)/C=C/c2ccco2)c2cc(Cl)ccc21 4555366 QEWPWCHTXISFRR-RTRPANQVSA-N 331.755 2.770 30 40 EFEB C[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)N[C@H](C#N)c1ccsc1 72281828 ZVKRGRMSIDCHGE-QMTHXVAHSA-N 347.827 2.901 30 40 EFEB CN(C)S(=O)(=O)/N=C(\O)[C@H]1C[C@@H]1c1ccccc1C(F)(F)F 71822566 MGWNKWXWCBTQGN-ZJUUUORDSA-N 336.335 2.572 30 40 EFEB C[C@H](Oc1ccc(C#N)cc1)C(=O)N1CCCC[C@H]1Cn1cccn1 71865013 IYRBLULSAFKIIV-RDJZCZTQSA-N 338.411 2.603 30 40 EFEB C[C@@H](C#N)NC(=O)c1coc(-c2ccc(Br)cc2F)n1 95995034 LIDUIWBSXHLPRC-ZETCQYMHSA-N 338.136 2.885 30 40 EFEB O=C1C=CC(=O)[C@@H]2CC3=C(CC4=C(C3)C[C@H]3C(=O)C=CC(=O)[C@H]3C4)C[C@H]12 68568685 DOZJKTFTQBABLB-USTZCAOPSA-N 348.398 2.842 30 40 EFEB COC[C@]1(C#N)[C@@H](S(=O)(=O)c2ccccc2)[C@@H]1c1cccc(F)c1 218453595 VNCPVQVZXVUTOD-BZSNNMDCSA-N 345.395 2.922 30 40 EFEB O=C(NCC#CCN1CCc2ccccc2C1)NC1CCCCC1 75165055 GTKXOEOKCUXICG-UHFFFAOYSA-N 325.456 2.680 30 40 EFEB CN(C)CCCN(CCC#N)C(=O)Nc1cc(F)c(F)c(F)c1 86299072 HXHLBGXCRGPDOT-UHFFFAOYSA-N 328.338 2.803 30 40 EFEB CC[C@@H](CO)NC(=O)Cc1ccc(NCc2cc(C#N)cs2)cc1 89943561 QCKOHSGCTZYFQI-HNNXBMFYSA-N 343.452 2.661 30 40 EFEB N#Cc1ccc(CSc2nnc(-c3ccc(F)cc3)n2N)cc1 530183 HGURXKSXUPJGHG-UHFFFAOYSA-N 325.372 2.962 30 40 EFEB Cc1nncn1CCNC(=O)c1ccccc1Oc1ccccc1C#N 97047335 HMSYHKMLHYEKHQ-UHFFFAOYSA-N 347.378 2.681 30 40 EFEB C[C@@H](c1cccc([N+](=O)[O-])c1)N(C)CC(=O)NC1(C#N)CCCC1 24862572 GRCXRWFNCMWOSR-ZDUSSCGKSA-N 330.388 2.540 30 40 EFEB Cc1csc(N2CCCN(C(=O)C3(C#N)CCCCC3)CC2)n1 57434512 SXLUOUGQFVAACP-UHFFFAOYSA-N 332.473 2.964 30 40 EFEB C[C@H](Oc1cccc(C#N)c1)C(=O)[C@@H](C#N)c1nnc2n1CCCCC2 58282380 DGYNOALWNQTWGY-XJKSGUPXSA-N 349.394 2.520 30 40 EFEB CC(=O)c1c[nH]c(C(=O)OCc2c(C#N)c(C)nn2-c2ccccc2)c1 10803361 NLAOPQTZCBHNGW-UHFFFAOYSA-N 348.362 2.940 30 40 EFEB Cc1nc2scc(-c3ccc(F)cc3)c2c(=O)n1/N=C/N(C)C 4071471 LGWCHYKYNZFBPY-GIJQJNRQSA-N 330.388 2.926 30 40 EFEB Cc1nn(C(C)C)c(C)c1NS(=O)(=O)c1ccc(F)c(C#N)c1 69704353 XFQGXVPZHFVWIR-UHFFFAOYSA-N 336.392 2.892 30 40 EFEB N#Cc1ccc(C(=O)OCC(=O)NC23CC4CC(CC(C4)C2)C3)cc1 5894001 BCXHYDUMDMYQQL-UHFFFAOYSA-N 338.407 2.800 30 40 EFEB C=CCNC(=O)c1ccccc1NS(=O)(=O)c1cccc(F)c1 7054189 AZBVIJNWPYEMSV-UHFFFAOYSA-N 334.372 2.542 30 40 EFEB C=C(C)COc1cc(CN[C@@H]2CCN(C(C)=O)C[C@H]2C)ccc1OC 84714820 FSNPAUAPJVYGEU-CRAIPNDOSA-N 346.471 2.997 30 40 EFEB CC(=O)N1CC[C@@H](NCc2cccc(OCCCC#N)c2)[C@@H](C)C1 89937574 OOEVSGOUOVRPFU-HNAYVOBHSA-N 329.444 2.716 30 40 EFEB C=CCn1c(S[C@@H](C)c2nnnn2C)nnc1-c1cccs1 189086502 UWQKFBBIGFJOHK-VIFPVBQESA-N 333.446 2.569 30 40 EFEB N#Cc1cc(N)ccc1N1CCN(C(=O)/C=C/c2ccccc2)CC1 70462160 AYAAQISPXJCLAW-RMKNXTFCSA-N 332.407 2.502 30 40 EFEB C[C@H]1C[C@@H]1/C(O)=N/S(=O)(=O)Cc1ccc(Br)cc1 96442831 HTHGNAXVXAKOFD-KWQFWETISA-N 332.219 2.891 30 40 EFEB Cc1noc(C)c1S(=O)(=O)/N=C(\O)c1cc(C)n(C2CC2)c1C 96499656 BLJULGIWZRWBCK-UHFFFAOYSA-N 337.401 2.738 30 40 EFEB C/N=C(/NCc1nncn1C)N[C@@H](C)c1ccc(Cl)cc1Cl 96406101 WGBYMHZJRXWTEX-VIFPVBQESA-N 341.246 2.548 30 40 EFEB N#Cc1c(N)nc2c(C(=O)c3ccccc3)n3ccccc3c2c1N 257173262 HXZLJWBARQDHRG-UHFFFAOYSA-N 327.347 2.755 30 40 EFEB N#Cc1cc(N2CCN(C(=O)CC3CCCC3)CC2)ccc1[N+](=O)[O-] 95944277 KAABTQJKOYTEBN-UHFFFAOYSA-N 342.399 2.695 30 40 EFEB C=CCN1C(=O)/C(=C/c2ccc(N3CCCC3)cc2)C(O)=NC1=S 441015 KCKSBOLCZRJRHH-NTCAYCPXSA-N 341.436 2.940 30 40 EFEB Cc1cc(C)n(-c2ccc(NCCOc3ccc(CC#N)cc3)nn2)n1 77978706 LGCTXHVUJHFTQF-UHFFFAOYSA-N 348.410 2.836 30 40 EFEB NC(=S)N/N=C1\c2ccccc2-c2c(F)c(F)c(F)c(F)c21 102803200 GVQGBSJWHBZGID-DEDYPNTBSA-N 325.290 2.809 30 40 EFEB CN(Cc1cccc(C#N)c1)C(=O)C1=NN(c2ccccc2)C(=O)CC1 25100826 PGFJORMEFRUHDM-UHFFFAOYSA-N 346.390 2.700 30 40 EFEB C[C@](C#N)(NC(=O)CN1CCCc2cccc(OC(F)F)c21)C1CC1 58134764 UQAOZXARTOQPQR-GOSISDBHSA-N 349.381 2.849 30 40 EFEB C=CCc1ccc(OC[C@H](O)CSc2nc(CC)n[nH]2)c(OC)c1 12776354 DTQCHJURUWKPHR-ZDUSSCGKSA-N 349.456 2.636 30 40 EFEB O=C1N=C(N/N=C/c2ccccc2O)S[C@H]1Cc1ccc(F)cc1 18125419 ATNXCVZVXCCIGX-RPJLVFAOSA-N 343.383 2.696 30 40 EFEB COC(=O)c1ccc(/C=C2\Oc3cc(OCC#N)ccc3C2=O)cc1 5157000 OALOYQSKSMXACW-YVLHZVERSA-N 335.315 2.992 30 40 EFEB N#Cc1ccc(N2CCC(C(=O)N3CCc4ccccc4C3)CC2)nc1 14138146 SIEQUGQSOSIMLI-UHFFFAOYSA-N 346.434 2.755 30 40 EFEB CC/N=C1/S[C@@H](CC(=O)Nc2cc(C)ccc2C)C(=O)N1CC 7883620 FZQQDFYZVMVFJG-YWMAMYRUSA-N 333.457 2.972 30 40 EFEB N#Cc1c(CN(CCC(N)=O)Cc2ccccc2)cn2ccccc12 71804917 RLWYACSNKDTOPV-UHFFFAOYSA-N 332.407 2.689 30 40 EFEB CC(C)[C@](C)(C#N)NC(=O)Cn1ncnc1-c1ccccc1Cl 71893999 IDDALKYAVAVKMD-INIZCTEOSA-N 331.807 2.653 30 40 EFEB C/C(=C/c1ccc(Cl)cc1)C(=O)OCCn1ncc(C#N)c1N 95443291 OPLQNKGAEGBPDB-FLIBITNWSA-N 330.775 2.637 30 40 EFEB CC(C)Cn1ncnc1CN1CCC(Oc2ccc(C#N)cc2)CC1 95995301 IIDVGIFZMBOZGS-UHFFFAOYSA-N 339.443 2.849 30 40 EFEB O=[N+]([O-])c1cccc(CO/N=C\c2cc3c(cc2[N+](=O)[O-])OCO3)c1 408595347 WIJBJCOMILRHQN-APSNUPSMSA-N 345.267 2.782 30 40 EFEB C=CCNC(=S)Nc1nc(N2CCCCC2)cc(N2CCCC2)n1 225923780 OQYOQWHCCXZSDC-UHFFFAOYSA-N 346.504 2.540 30 40 EFEB C[C@H](Oc1ccccc1)C(=O)NCC#CCN(C)Cc1ccccc1 75165129 AIUKTUZNXFAJGY-SFHVURJKSA-N 336.435 2.706 30 40 EFEB C=CCNC(=O)c1ccc(N(CC)S(=O)(=O)c2ccccc2)cc1 224352452 FAWURUOBCUTCDZ-UHFFFAOYSA-N 344.436 2.818 30 40 EFEB O=C1C=C(NNc2ccc(I)cc2)CCC1 255188698 KYUUIAHHKQQDOV-UHFFFAOYSA-N 328.153 2.845 30 40 EFEB N#Cc1cccc2c1CCN2C(=O)[C@H]1[C@H](C(F)(F)F)[C@H]2CC[C@H]1O2 591521747 UOBNQBGCWZWUNE-KBUPBQIOSA-N 336.313 2.803 30 40 EFEB N#Cc1ccc2nc(NCc3nc(C4CCOCC4)n[nH]3)ccc2c1 601223202 YVRPNBKTDIBDBE-UHFFFAOYSA-N 334.383 2.731 30 40 EFEB CC(=O)N1CCc2cc(C(=O)C[n+]3ccc4ccccc4c3)ccc21 5000295 HOBSZFLYVLGEHQ-UHFFFAOYSA-N 331.395 2.919 30 40 EFEB C[C@H]1CCCCN1CCOc1ccccc1C(=O)N(C)CCC#N 69622025 BZTNDHAWNYBOLL-INIZCTEOSA-N 329.444 2.925 30 40 EFEB CO[C@@H](C)c1cccc(NC(=O)C(=O)NCc2cccc(C#N)c2)c1 69738950 UGGMVHNQNXLKGS-ZDUSSCGKSA-N 337.379 2.521 30 40 EFEB N#C[C@H](C1CCCCC1)N1CCN(C(=O)[C@@H]2C[C@@H]2c2ccco2)CC1 106576029 VAUFEULEDWIHCC-RCCFBDPRSA-N 341.455 3.000 30 40 EFEB C=CCN1C(=O)/C(=C/c2cc3ccccc3[nH]c2=O)SC1=S 1464510 SPBXVDXYOZTWIS-LCYFTJDESA-N 328.418 2.915 30 40 EFEB O=C(Nc1cccc(C#Cc2ccccn2)c1)c1cnn2cccnc12 43510435 KCWAAHLOYQSLQS-UHFFFAOYSA-N 339.358 2.776 30 40 EFEB N#Cc1cccc(CNC(=O)Nc2ccc(N3CCOC3=O)cc2)c1 56767411 FGVZJPFYNNXTIR-UHFFFAOYSA-N 336.351 2.837 30 40 EFEB Cn1ncc2c1CCC[C@H]2NC(=O)CSCc1ccc(C#N)cc1 48111524 KQDVJDBCDXVSQU-MRXNPFEDSA-N 340.452 2.719 30 40 EFEB C=CCN(C(=O)c1ccnc(-n2cncn2)c1)[C@@H]1CCc2ccccc21 58327884 INOJPNIJJCGKGB-GOSISDBHSA-N 345.406 2.978 30 40 EFEB Cc1nn(CC(F)(F)F)c(C)c1CC(=O)N[C@@H](C#N)C(C)(C)C 96486758 OPWYLBGTCIMLDO-LBPRGKRZSA-N 330.354 2.659 30 40 EFEB N#CCNC(=O)CNc1cc(C(F)(F)F)cc(C(F)(F)F)c1 96450102 WEHWYOWEQDDJCB-UHFFFAOYSA-N 325.212 2.776 30 40 EFEB CN1CCN(/N=C2/C=C(c3ccccc3)[C@](O)(c3ccccc3)C2)CC1 5447410 FBAQZZULBQJRCE-LAGVDGIJSA-N 347.462 2.965 30 40 EFEB N#C[C@H]1CN(C(=O)c2ccc(Oc3ccccc3)o2)CCN1C1CC1 95407191 SQDKLMBJPJEFDH-HNNXBMFYSA-N 337.379 2.884 30 40 EFEB CC/N=C(/NCCc1ccc2c(c1)CCO2)NCc1scnc1C 95405857 PPGWKXSNIXGTHB-UHFFFAOYSA-N 344.484 2.684 30 40 EFEB CC(C)NC1CCN(Cc2cn(C)nc2-c2ccc(C#N)cc2)CC1 95995499 AZUPDIZNCWLEJK-UHFFFAOYSA-N 337.471 2.921 30 40 EFEB CCCCCN/C(=N\Cc1cccs1)NCc1nnc2n1CCC2 75583557 RVFQHYYALPODNC-UHFFFAOYSA-N 346.504 2.711 30 40 EFEB COC(=O)COc1ccc(/C=N\Nc2ccc([N+](=O)[O-])cc2)cc1 408912270 QEDFKLJZOQIAHE-YVLHZVERSA-N 329.312 2.593 30 40 EFEB N#Cc1ccc(Nc2nccc([C@@H]3CCCN3Cc3cn[nH]c3)n2)cn1 585293197 DJVSBPZZAQZNII-KRWDZBQOSA-N 346.398 2.547 30 40 EFEB C=CCNC(=O)/C(=C\c1ccc(N(C)C)cc1)NC(=O)c1ccccc1 13305910 VSSCDEHNHPSMDM-XDJHFCHBSA-N 349.434 2.826 30 40 EFEB O=[N+]([O-])c1ccccc1N/N=C\C=N\Nc1ccccc1[N+](=O)[O-] 16450238 WOCPPMMIJVAUNC-CKOAPEAFSA-N 328.288 2.999 30 40 EFEB CC/N=C(\NCc1cc(C)on1)NCc1coc(-c2ccccc2)n1 81843454 ADGXWAITRFNXQV-UHFFFAOYSA-N 339.399 2.893 30 40 EFEB C[C@@H](Sc1nc(N)cc(N)c1C#N)C(=O)Nc1cc(F)ccc1F 12602363 DXOCPNGRUKYYOQ-SSDOTTSWSA-N 349.366 2.515 30 40 EFEB O=C1ON=C(c2ccccc2)/C1=C/c1ccc(N2CCOCC2)s1 13624089 AROYQMIADARBNE-QINSGFPZSA-N 340.404 2.929 30 40 EFEB CN(C(=O)C#Cc1ccccc1)C1CCN(CCc2ccccn2)CC1 80611528 FFZQIPVWQIMBLS-UHFFFAOYSA-N 347.462 2.599 30 40 EFEB CC(=O)c1cccc(N(Cc2ccccc2C#N)S(C)(=O)=O)c1 95394345 IFMFQUWMQIAPIV-UHFFFAOYSA-N 328.393 2.727 30 40 EFEB Cc1ccc(S(=O)(=O)/N=C(\O)CCc2cnn(C)c2)cc1Cl 80298706 RZYGJJMUEFJZMS-UHFFFAOYSA-N 341.820 2.660 30 40 EFEB O=S(=O)(Cc1ccon1)/N=C(\O)CCc1cccc(Cl)c1 96446462 SFHHVZLDZQABDS-UHFFFAOYSA-N 328.777 2.747 30 40 EFEB N#Cc1cccc(COC(=O)CCCn2c(=O)oc3ccccc32)c1 12753992 UNRGERISVRXUGY-UHFFFAOYSA-N 336.347 2.990 30 40 EFEB Cc1nc(N2CC[C@H](C(=O)NC(C)(C)C)C2)c(C#N)c(C)c1Cl 1889074652 IGXVSRPAQQIYTK-LBPRGKRZSA-N 334.851 2.965 30 40 EFEB N#Cc1ccc(N2C[C@@H]3[C@H](CCN3c3nc4ccccc4o3)C2)nc1 1889186310 WUUOQHBVNNVYMX-GDBMZVCRSA-N 331.379 2.810 30 40 EFEB N#Cc1ccnc(OCC2CCN(C(=O)C3CC(F)(F)C3)CC2)c1 1775995574 YTJKKJQBDPRJLH-UHFFFAOYSA-N 335.354 2.616 30 40 EFEB CCOC(=O)c1sc(N)c(C#N)c1COc1ccccc1[N+](=O)[O-] 4960618 XOTOUWAZFQJXFK-UHFFFAOYSA-N 347.352 2.866 30 40 EFEB CNC(=O)[C@H](C#N)C(=O)c1sc(-c2ccc(Cl)s2)nc1C 103664573 RKGDZJRBESKOSF-SSDOTTSWSA-N 339.829 2.902 30 40 EFEB C[C@@H](OCC1CC1)/C(O)=N/S(=O)(=O)c1cccc2ncccc12 71803833 GTHWXHUXJQXLJR-LLVKDONJSA-N 334.397 2.695 30 40 EFEB CNC(=O)[C@H](C#N)C(=O)c1ccc(Oc2cccc(F)c2C#N)cc1 102762945 GCXGOGGFEMGSIF-CQSZACIVSA-N 337.310 2.558 30 40 EFEB N#CC1(NC(=O)[C@@H]2CCCc3ccccc32)CCC2(CC1)OCCO2 69902671 WRCQHSSFNKBFQZ-QGZVFWFLSA-N 340.423 2.802 30 40 EFEB CCC[C@@H](C)NC(=O)CO/N=C/c1ccc(OC(F)F)c(OC)c1 3330805 ZQNJMQFTARQUGQ-YXZFXQPTSA-N 344.358 2.952 30 40 EFEB CC(C)(C)c1nnc(N/C(O)=N/S(=O)(=O)c2ccccc2)s1 4104977 SGTCBQAFBURWBH-UHFFFAOYSA-N 340.430 2.550 30 40 EFEB N#C[C@]1(c2nc3ccccc3c(=O)[nH]2)Cc2ccccc2N2CCC[C@@H]21 6315879 NGQIFILLDVUJMD-WIYYLYMNSA-N 342.402 2.910 30 40 EFEB C=C(Cl)COC(=O)c1ccc2c(c1)C(=O)N(Cc1ccco1)C2=O 14022578 CWPKPLGKIXVAFT-UHFFFAOYSA-N 345.738 2.985 30 40 EFEB N#Cc1ccc(-c2cccc(CNc3cnc(C(N)=O)cn3)c2)s1 97140729 CCTWKZHGEGKCHI-UHFFFAOYSA-N 335.392 2.788 30 40 EFEB Cc1cc(/C=N/n2cnnc2)c(C)n1-c1ccc(C(=O)O)c(Cl)c1 408856269 JOTBTMATKGYMQM-IFRROFPPSA-N 343.774 2.919 30 40 EFEB N#Cc1ccnc(N2CCN(C(=O)c3c(F)cccc3Cl)CC2)c1 32754723 YUYPYOYPLLGXRO-UHFFFAOYSA-N 344.777 2.708 30 40 EFEB COc1cc(C(=O)N2CCN([C@H](C#N)C(C)C)CC2)ccc1Cl 195546335 GJKWVODVEVLFFU-OAHLLOKOSA-N 335.835 2.655 30 40 EFEB C=CCN(Cc1ccc(C#N)cc1)S(=O)(=O)c1cnn(C(C)C)c1 96427903 RNGBJDLXNPYSDP-UHFFFAOYSA-N 344.440 2.713 30 40 EFEB C=CCc1c(C)nc2ccc(-n3cc(C(=O)O)ccc3=O)cc2c1O 257244479 ILNNNCGISKCTIR-UHFFFAOYSA-N 336.347 2.826 30 40 EFEB N#CCCCOC(=O)c1ccccc1Cc1nc2ccccc2c(=O)[nH]1 43286612 ZDHWIIRBHDEUPJ-UHFFFAOYSA-N 347.374 2.974 30 40 EFEB CO[C@@H](C)c1nc(CNC(=O)NCCc2cccc(C#N)c2)cs1 252499179 RWQOYLZTMABDFP-LBPRGKRZSA-N 344.440 2.764 30 40 EFEB C[C@H](NC(=O)c1cn(C)nc1C1CCOCC1)c1ccc(C#N)cc1 591698643 DBNRIZVZYKOBSW-ZDUSSCGKSA-N 338.411 2.677 30 40 EFEB N#Cc1ccccc1OCc1ccc(S(=O)(=O)N2CCCC2)o1 40536225 DCNSKEWYYWAVRY-UHFFFAOYSA-N 332.381 2.515 30 40 EFEB COc1cc([C@H]2NC(=O)C(O)=C2C(=O)c2ccc(C)cc2)ccc1O 4901565 APVSMKUJONZPRD-MRXNPFEDSA-N 339.347 2.575 30 40 EFEB O=CC[C@@H](NC(=O)OCc1ccccc1)C(=O)OCc1ccccc1 34503784 DXBNGOWOMMHJKK-QGZVFWFLSA-N 341.363 2.614 30 40 EFEB CC(C)(NCC(=O)Nc1sccc1C#N)c1ccc2c(c1)OCO2 65550178 AZLCSISUYRNZJL-UHFFFAOYSA-N 343.408 2.812 30 40 EFEB C=CCn1c(SCC(=O)NC(C)(C)C)nnc1-c1ccncc1 6906131 WNTMINAQWKZSQH-UHFFFAOYSA-N 331.445 2.533 30 40 EFEB C=CCNC(=O)C1(NC(=O)c2ncoc2-c2ccco2)CCCCC1 78809111 IQGXRCCRSUBVKA-UHFFFAOYSA-N 343.383 2.670 30 40 EFEB C[C@H](C#N)CSc1ccccc1NC(=O)c1ccc(=O)n(C)c1 71888205 CKRJEIALRZBENT-GFCCVEGCSA-N 327.409 2.889 30 40 EFEB C#CCn1cc(CN(C)C(=O)Cc2cccc3ccc(OC)cc23)cn1 95436242 CVNPWGUIYXWFFG-UHFFFAOYSA-N 347.418 2.879 30 40 EFEB COc1cccc(OC)c1CC(=O)N[C@@H](C#N)c1ccc(F)cc1F 89471433 KMTXUFNYMKSTBQ-HNNXBMFYSA-N 346.333 2.906 30 40 EFEB C=CCN(CC=C)S(=O)(=O)c1cc(Br)ccc1OC 31903950 YXLAISPVGBIQMD-UHFFFAOYSA-N 346.246 2.820 30 40 EFEB Cc1nc(C(C)(C)NS(=O)(=O)Cc2cccc(C#N)c2)sc1C 76853229 OHZIXIJNPKMNJV-UHFFFAOYSA-N 349.481 2.986 30 40 EFEB C[C@@H](Sc1cccc[n+]1[O-])C(=O)Nc1sc2c(c1C#N)CCC2 42140329 BDHYXQZBTZEBGB-SNVBAGLBSA-N 345.449 2.861 30 40 EFEB CC1=C(C(=O)N2CCN(C(=O)C3=C(C)CCC3)[C@H](C#N)C2)CCC1 585128276 XRCZSUKWPIJLQA-OAHLLOKOSA-N 327.428 2.550 30 40 EFEB N#Cc1cccc(OCCN2CCn3c(nnc3-c3ccccc3)C2)c1 76184051 KXBDLRPOBQESPG-UHFFFAOYSA-N 345.406 2.711 30 40 EFEB CC1(C)CN(c2ccc(Br)cc2C#N)CC[S@@]1=O 96501538 MGRVKNBCYIFGCL-GOSISDBHSA-N 327.247 2.668 30 40 EFEB NC(=S)N/N=C1/c2ccccc2-c2c(F)c(F)c(F)c(F)c21 1674728 GVQGBSJWHBZGID-MOSHPQCFSA-N 325.290 2.809 30 40 EFEB N#Cc1cccc(C(=O)NC[C@H](c2ccoc2)N2CCSCC2)c1 245015278 LUCAEIUDFGQEGQ-QGZVFWFLSA-N 341.436 2.671 30 40 EFEB CCOC(=O)[C@@H](Sc1nc(C)cc(C(F)(F)F)c1C#N)C(C)=O 4451084 ODPZZLMOZQWHQB-NSHDSACASA-N 346.330 2.893 30 40 EFEB COc1ccc(/C=N/Nc2nnc3c(n2)[nH]c2ccccc23)cc1OC 1298732 XXTOVADTLPKMPM-VXLYETTFSA-N 348.366 2.969 30 40 EFEB C=CCSc1nc2c(c(=O)[nH]1)[C@H](c1ccccc1C)CC(=O)N2 4944192 BSMFXWGHBKECCO-LBPRGKRZSA-N 327.409 2.831 30 40 EFEB CC(C)(C)c1ccc(S(=O)(=O)N/N=C/c2ccc(O)c(O)c2)cc1 17072398 BCVRDKIYTPAIOO-WOJGMQOQSA-N 348.424 2.708 30 40 EFEB C[C@H]1CCCC[C@H]1OCCNc1ncnc2c1cnn2CCC#N 97200186 YKCAJAFPBBPXLP-DZGCQCFKSA-N 328.420 2.747 30 40 EFEB Cc1nc2ncnn2c(N2CCC(Oc3ccc(C#N)cc3)CC2)c1C 77217407 KSUBHHJHABJAKN-UHFFFAOYSA-N 348.410 2.661 30 40 EFEB C[C@@H](Oc1ccc(F)cc1Cl)C(=O)N[C@@]1(C#N)CCSC1 79045131 VFLIKWNXRMOYHG-YMTOWFKASA-N 328.796 2.762 30 40 EFEB C[C@@H](Oc1ccc(F)cc1Cl)C(=O)N[C@]1(C#N)CCSC1 79045109 VFLIKWNXRMOYHG-OTYXRUKQSA-N 328.796 2.762 30 40 EFEB CC(C)(C#N)C(=O)N1CCN(Cc2cccc(C(F)(F)F)c2)CC1 42106229 MFSOMGKALVRNSE-UHFFFAOYSA-N 339.361 2.899 30 40 EFEB N#CCc1cccc(C(=O)OC[C@H]2CC(=O)N(Cc3ccccc3)C2)c1 96442639 IPOZXWAXWRKATM-SFHVURJKSA-N 348.402 2.958 30 40 EFEB C#CC1(O)CCN(C(=O)c2ccc(-c3csc(C)n3)cc2)CC1 585127966 NVVGJDSROLKUAC-UHFFFAOYSA-N 326.421 2.719 30 40 EFEB COC(=O)c1ccccc1O[C@@H](C)C(=O)NC1(C#N)CCCCC1 58014483 VANKQGPLTUKLNI-ZDUSSCGKSA-N 330.384 2.583 30 40 EFEB Cc1[nH]c(=O)nc(SCC(=O)c2cc(C)n(C(C)C)c2C)c1C#N 32776390 GWCZVTPYIHTORX-UHFFFAOYSA-N 344.440 2.924 30 40 EFEB Cc1nc2c([nH]c3ccccc32)c(=O)n1/N=C/c1cccc([N+](=O)[O-])c1 500414 KFANLKWZOVHSQX-VXLYETTFSA-N 347.334 2.977 30 40 EFEB CCCOc1cc(/C=C/C(=O)[C@H]2C(=O)C=C(C)OC2=O)ccc1OC 103279957 MRBDOJZUUDFEEJ-FZMUQLTDSA-N 344.363 2.712 30 40 EFEB O=[N+]([O-])c1ccc(N2CCCC2)cc1N/N=C1\CN2CCC1CC2 57095743 YWHFCEWLEJVQIU-KNTRCKAVSA-N 329.404 2.689 30 40 EFEB C[C@@H]1CN(C(=O)CON=C2c3ccccc3-c3ccccc32)CCO1 10858998 SSHCBBHKMCTLGV-CQSZACIVSA-N 336.391 2.683 30 40 EFEB O=S1(=O)CC[C@@H](N2CCS/C2=N\c2ccc(Cl)cc2)C1 3426693 XCXVZIXACCHAAK-GMXMXKFQSA-N 330.862 2.563 30 40 EFEB Cc1ccc(Br)cc1NCC(=O)N[C@](C)(C#N)C1CC1 48658301 YNWPFGYGSJQIFF-OAHLLOKOSA-N 336.233 2.978 30 40 EFEB C=CCn1cnnc1SCC(=O)Nc1ccc(F)cc1Cl 8941625 YSGWTMUSKRLITM-UHFFFAOYSA-N 326.784 2.987 30 40 EFEB COc1ccc2nc(SCC(=O)NC3(C#N)CCCC3)[nH]c2c1 9314764 FBSWKSZRMSERLH-UHFFFAOYSA-N 330.413 2.616 30 40 EFEB Cc1cc(C)n(C[C@@H]2CCCCN2C(=O)Cc2ccc(C#N)cc2)n1 70019342 IQAYUWALGGCPMJ-IBGZPJMESA-N 336.439 2.995 30 40 EFEB N#Cc1cccc(CNC(=O)NC[C@H](O)c2ccc(Cl)s2)c1 78940384 FYLPYTLTMRVKRG-LBPRGKRZSA-N 335.816 2.806 30 40 EFEB CN(C)S(=O)(=O)c1ccc(OCc2cc(F)ccc2C#N)cc1 95965597 NNYAYPCSVROTFH-UHFFFAOYSA-N 334.372 2.527 30 40 EFEB N/C(=N/Cc1ccc(F)cc1)N1CCN(c2ccc(F)cc2)CC1 95948286 IDNSCMJMZMXKJZ-UHFFFAOYSA-N 330.382 2.602 30 40 EFEB C#CCN1C(=O)[C@]2(CC(O)=Nc3c2cnn3C(C)(C)C)c2ccccc21 20730310 UTWVJZNNMHNXNR-HXUWFJFHSA-N 348.406 2.896 30 40 EFEB CCc1noc(C)c1/C(O)=N/S(=O)(=O)c1cccc2ncccc12 78446104 DYONVJURQZTWTO-UHFFFAOYSA-N 345.380 2.787 30 40 EFEB N#CCN(CC#N)C(=O)c1cccc(COc2cccc(C#N)c2)c1 79361671 OAGSHSNHLZCDFV-UHFFFAOYSA-N 330.347 2.627 30 40 EFEB Cc1ccc(S(=O)(=O)[C@@H]2[C@@H](c3cccc(F)c3)[C@]2(C#N)CO)cc1 218412039 HESFGOWNIWIOSN-KURKYZTESA-N 345.395 2.576 30 40 EFEB Cc1nn(C)c(C)c1S(=O)(=O)/N=C(\O)[C@@H](C)Cc1cccs1 76761353 WRFZSWJNTPGROO-VIFPVBQESA-N 341.458 2.622 30 40 EFEB C=CCN(CC=C)C(=O)[C@H]1CCC(=O)N(C)[C@@H]1c1ccc(OC)cc1 72242088 QQNODDIMAMUDNZ-PKOBYXMFSA-N 342.439 2.805 30 40 EFEB C=CCN1C(=O)CCCC12CCN(C(=O)c1ccc(F)cc1)CC2 96158598 YALXAMYNLLOQAJ-UHFFFAOYSA-N 330.403 2.999 30 40 EFEB COc1ccc(CN[C@H]2CC[C@@H](C(F)(F)F)N(C)C2)cc1C#N 583616488 BYUUMMNQZMFANH-ZFWWWQNUSA-N 327.350 2.682 30 40 EFEB CCOC[C@]1(C#N)[C@@H](c2cccc(Cl)c2)[C@H]1S(=O)(=O)CC 252514942 FIHVIQPACHMBLS-RRFJBIMHSA-N 327.833 2.787 30 40 EFEB C[C@H](N=c1cc(C#N)cn[nH]1)[C@H](OC1CCOCC1)c1ccccc1 596169698 KDRCQJLASKNEJN-LIRRHRJNSA-N 338.411 2.507 30 40 EFEB N#Cc1nc([C@H]2C[C@@H]2c2ccccc2)oc1NCCN1CCOCC1 96346000 ZLHNFKOGKNTSHL-CVEARBPZSA-N 338.411 2.561 30 40 EFEB Cc1cccc(N2CCN(CC(=O)Nc3ccc(C#N)cc3)CC2)c1C 57380633 GHDBSXOBCSJXOC-UHFFFAOYSA-N 348.450 2.936 30 40 EFEB N#Cc1cccnc1N1CCCN(C(=O)CCc2ccsc2)CC1 55740838 HZUGSEAFOIYGIC-UHFFFAOYSA-N 340.452 2.686 30 40 EFEB COc1ccccc1N1CCN([C@H]2/C(=N/O)Cc3ccccc32)CC1 6398761 GREUMLUNNGVTLB-VBIUYMIYSA-N 337.423 2.945 30 40 EFEB C#CCOCC1CCN(C(=O)Nc2cccc(OC)c2OC)CC1 49028905 XJKLFMRGLQVGIZ-UHFFFAOYSA-N 332.400 2.598 30 40 EFEB Cc1sc(NC(=O)Cn2c(=O)n(C)c3ccccc32)c(C#N)c1C 21893361 YFBDMVUPXIGWFJ-UHFFFAOYSA-N 340.408 2.529 30 40 EFEB CCn1c(=O)c(/C=N/c2nnc(S)s2)c(O)c2ccccc21 103461940 XUUWQBXAAKCKFE-VIZOYTHASA-N 332.410 2.618 30 40 EFEB Cc1ccc2[nH]c3c(=O)n(/N=C/c4ccccc4F)c(O)nc3c2c1 502586 PZODKDBUBZPUSN-AWQFTUOYSA-N 336.326 2.913 30 40 EFEB Cc1ccc(NC(=O)[C@H](C#N)C(=O)[C@H](C)Oc2ccccc2C#N)cc1 103503798 JWVSSCZJPFHQRD-WMLDXEAASA-N 347.374 2.982 30 40 EFEB C=CCN(CC(F)(F)F)C(=O)/C=C/c1ccc(C(=O)NC)cc1 58208574 IMXREGRPTYZJET-RMKNXTFCSA-N 326.318 2.636 30 40 EFEB N#Cc1ccc(Cl)cc1NC(=O)CN1CCC[C@@H]1[C@@H]1CCCC1=O 95448087 MAPDBADWYXGMHE-GOEBONIOSA-N 345.830 2.984 30 40 EFEB C=CCN1C(=O)N/C(=C/c2cccn2-c2ccc(N(C)C)cc2)C1=O 409134087 RTDHPDXYMODDOB-GHRIWEEISA-N 336.395 2.622 30 40 EFEB Cc1ccc(S(=O)(=O)/N=C(\O)[C@H]2CC2(Cl)Cl)c(F)c1 75040466 SACIEEZGIBZPJW-SSDOTTSWSA-N 326.176 2.973 30 40 EFEB N#Cc1cc(NC[C@@H]2COC3(CCOCC3)O2)ccc1C(F)(F)F 96503220 FPKQSCKLQHXFJE-CYBMUJFWSA-N 342.317 2.911 30 40 EFEB C=CCO[C@@H](C)C(=O)N[C@H]1CCN(c2ccccc2OC(F)F)C1 96408155 BBOQRUIUULNWDX-STQMWFEESA-N 340.370 2.574 30 40 EFEB Cc1cc(C[C@@H](C)NC(=O)Nc2cc(C#N)ccc2OC(F)F)n[nH]1 97099391 TVUQDGFMXGLOCB-SECBINFHSA-N 349.341 2.944 30 40 EFEB COC[C@]1(C#N)[C@H](c2ccccc2)[C@H]1S(=O)(=O)c1ccccc1 252514548 CVMKHFUHVDGILD-KZNAEPCWSA-N 327.405 2.783 30 40 EFEB COc1cc(/C=N/N2CCN(Cc3ccc(C)cc3)CC2)ccc1O 20057969 PWOIUDJUIVBMLJ-KGENOOAVSA-N 339.439 2.861 30 40 EFEB COc1ccc(CN(C)S(=O)(=O)c2ccc(C#N)cc2)cc1F 8509594 MBYWQMYSZLOMDX-UHFFFAOYSA-N 334.372 2.527 30 40 EFEB O=C(/N=C1\c2ccccc2CN1c1ncccn1)c1ccc([N+](=O)[O-])o1 104349110 YCTZFASATYOMEG-HMMYKYKNSA-N 349.306 2.585 30 40 EFEB Cc1ccc(C)n1-c1c(C(=O)NCC#Cc2ccccc2)cnn1C 55981806 HPIIPCLQHUXBKK-UHFFFAOYSA-N 332.407 2.609 30 40 EFEB Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N1CCC[C@@H]1C1CCCC1 56034055 KGWMKKAYVQKLNH-GOSISDBHSA-N 341.455 2.977 30 40 EFEB C[C@@H](Oc1cccc(C#N)c1)/C(O)=N/c1nc(-c2ccccn2)n[nH]1 58316999 QGUIYCYMANRFNN-LLVKDONJSA-N 334.339 2.794 30 40 EFEB C=CCN(CCc1ccccc1)C(=O)CNC(=O)c1ccoc1C 58332600 XSZYCCLWYAIPSM-UHFFFAOYSA-N 326.396 2.575 30 40 EFEB COc1cc2c(cc1OC)[C@H](c1ncc[nH]1)C1=C(CCCC1=O)N2 18196937 FLEMBCJZICFHOI-INIZCTEOSA-N 325.368 2.991 30 40 EFEB N#Cc1ccccc1OCC(=O)Nc1ccccc1N1CCCC1=O 12993911 KNMZZVWOQCWBLH-UHFFFAOYSA-N 335.363 2.703 30 40 EFEB C=C(C)COc1cccc(NC(=O)C(=O)N[C@@H](C)c2cccnc2)c1 65620695 KVPUMNZGDQBFKB-AWEZNQCLSA-N 339.395 2.852 30 40 EFEB C[C@H](OC(=O)c1cccc(N(C)C)c1)C(=O)NC1(C#N)CCCCC1 7436228 IYJYRCGNMWFCLZ-AWEZNQCLSA-N 343.427 2.641 30 40 EFEB CC(C)[C@H]1CCCC[C@H]1NC(=O)C(=O)Nc1ccc(F)c(C#N)c1 71799757 RZMIDIPCEHKVFU-GDBMZVCRSA-N 331.391 2.967 30 40 EFEB O=S(=O)(C[C@@H]1CCCCO1)/N=C(O)/C=C/c1ccc(F)cc1 71892451 UDAZGGVALZFJBA-MRZGDXHCSA-N 327.377 2.694 30 40 EFEB N#Cc1cccc(CNC[C@@H](c2cccc(F)c2)N2CCOCC2)c1 71834585 GQSHHQJJICSOBT-FQEVSTJZSA-N 339.414 2.860 30 40 EFEB C[C@@H](Oc1ccccc1C#N)C(=O)N[C@@H](CC(=O)O)c1ccccc1 78336386 JVDVXDXFISUXSB-CJNGLKHVSA-N 338.363 2.658 30 40 EFEB CN1CC[C@H](NC(=O)c2cc(C#N)c[nH]2)[C@@H]1c1ccc(Cl)c(F)c1 95437235 KJTTWMKWMKYJNA-HOCLYGCPSA-N 346.793 2.854 30 40 EFEB Cc1cc(S(=O)(=O)Nc2ccc(F)c(C#N)c2)cc(C(=O)O)c1C 79107647 WTIVITMZYXVBKH-UHFFFAOYSA-N 348.355 2.813 30 40 EFEB COCc1cc(C)nc(NN=Cc2ccc(OC)cc2OC)c1C#N 408729417 FFQXBTXGJVGCEC-UHFFFAOYSA-N 340.383 2.871 30 40 EFEB CCCO[C@H]1CCCN(S(=O)(=O)c2cccc(F)c2C#N)CC1 96427965 YTDQQXSSIUUJHG-ZDUSSCGKSA-N 340.420 2.667 30 40 EFEB Cc1ccccc1[C@H]1C[C@@H]1C(=O)N1CCN(c2ccc(C#N)cn2)CC1 95400023 VWAHGWWARAHSTQ-MOPGFXCFSA-N 346.434 2.714 30 40 EFEB CC(C)[C@](C)(C#N)NC(=O)CSc1ncccc1Br 96411989 RQEJMPDQQAHNKR-ZDUSSCGKSA-N 342.262 2.991 30 40 EFEB N#Cc1ncn(CCOc2ccc(Cl)cc2Br)n1 21914764 GWCVWIWRFCBLCE-UHFFFAOYSA-N 327.569 2.645 30 40 EFEB Cc1ccc(NC(=O)[C@@H](C)Sc2ncc(C#N)c(N)n2)c(C)c1 419949 JLLFFKCDONDIEB-LLVKDONJSA-N 327.413 2.667 30 40 EFEB C[C@H]1CN(c2oc(-c3ccc([N+](=O)[O-])cc3)nc2C#N)C[C@H](C)O1 544877 WDEHUSLTCNOHRH-QWRGUYRKSA-N 328.328 2.735 30 40 EFEB C=CCN1C(=O)[C@H](CC)S/C1=N/S(=O)(=O)c1ccc(C)cc1 9667548 DPFMMCMFPRBPEU-ZGTROFRASA-N 338.454 2.580 30 40 EFEB CCN(C[C@H](C)C#N)C(=O)C1=NN(c2cc(C)ccc2C)C(=O)CC1 56409391 FRJRBBLMVQJVRI-CQSZACIVSA-N 340.427 2.794 30 40 EFEB N#C[C@H](C(=O)Nc1ccc(Cl)cc1)c1nnc2n1CCCCC2 58158359 WXYGOARNJYUACH-ZDUSSCGKSA-N 329.791 2.904 30 40 EFEB C[C@@H]1C[C@@H]1/C(O)=N/S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F 58421348 OFCBODRJXMPBHQ-APPZFPTMSA-N 332.303 2.878 30 40 EFEB CCCc1nc(CN(c2cccc(C#N)c2)S(C)(=O)=O)cs1 48339989 RRUOXQJAVHWHJP-UHFFFAOYSA-N 335.454 2.933 30 40 EFEB COCCN1C(=O)CS/C1=N\c1cc(C)ccc1OC(F)F 36611304 PUBDPDYJGKJLDJ-VKAVYKQESA-N 330.356 2.806 30 40 EFEB C=CCn1c(C)nnc1SCC(=O)Nc1ccc(OC)cc1OC 6909205 CZBCGKBXJSWGMI-UHFFFAOYSA-N 348.428 2.521 30 40 EFEB C=CCOc1ccccc1CNC(=O)N[C@@H](C(=O)O)c1ccccc1 96003071 SVSIKPNIWQSKBM-QGZVFWFLSA-N 340.379 2.877 30 40 EFEB N#Cc1ccc(C(=O)N2C[C@H](O)C[C@@H]2c2cc(F)ccc2F)cc1 91767240 LZZXIMOWDZDMMG-RHSMWYFYSA-N 328.318 2.785 30 40 EFEB CCc1nc(CN2CCCN(c3ncccc3C#N)CC2)cs1 71824871 KVXXECLSCYQEOC-UHFFFAOYSA-N 327.457 2.684 30 40 EFEB N#Cc1c(F)cccc1NCCNC(=O)c1ncoc1-c1ccco1 71907587 XBWNEFFSWFJIDZ-UHFFFAOYSA-N 340.314 2.787 30 40 EFEB Cn1cc(CC/C(O)=N/S(=O)(=O)C2CCC(C)(C)CC2)cn1 95444266 LDLOGQJZDXZWLH-UHFFFAOYSA-N 327.450 2.608 30 40 EFEB CNc1ncc(C(=O)N2CCC(Oc3ccc(C#N)cc3)CC2)s1 95978533 VUHKYSAIRNFETC-UHFFFAOYSA-N 342.424 2.740 30 40 EFEB C[C@H](Sc1cc(C#N)ccn1)C(=O)NCCc1ccc(F)cc1 77905650 VYRVGUGPFBQBED-LBPRGKRZSA-N 329.400 2.932 30 40 EFEB C=CCOc1ccc(NS(=O)(=O)c2cccc(C(=O)OC)c2)cc1 223793983 TUHQUBGCSKYGDF-UHFFFAOYSA-N 347.392 2.839 30 40 EFEB Cc1c(C=NN2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)c2ccccc2n1C 254288015 KLGNNRWWNAHGJY-DSIZOQBWSA-N 333.391 2.628 30 40 EFEB aggregator N#C[C@H]1CCC[C@@H]1NC(=O)c1nn(-c2cccc(Cl)c2)cc1O 597338417 HKOYOVMNFGWHST-MFKMUULPSA-N 330.775 2.653 30 40 EFEB C#CCCC1(CCC(=O)N[C@H](C(=O)O)c2c(C)cccc2C)N=N1 1616032956 YBTQKFPQTHDRSP-INIZCTEOSA-N 327.384 2.901 30 40 EFEB O=C1[C@@H]2[C@@H]3C=C[C@H]([C@@H]4C[C@H]34)[C@H]2C(=O)N1/N=C/c1c[nH]c2ccccc12 169305929 KHLAISZHHLNBQU-RJZZCWSBSA-N 331.375 2.555 30 40 EFEB C=CCc1cc(CN[C@@H](C(N)=O)c2ccccc2)cc(OC)c1OC 51185742 ZZAWKJFMMMTJDQ-GOSISDBHSA-N 340.423 2.749 30 40 EFEB CC[C@@]1(c2ccc(Cl)cc2)NC(=O)N(C[C@@H](C#N)CCC#N)C1=O 24088525 SKBMRNJEDIBVHW-PXAZEXFGSA-N 344.802 2.941 30 40 EFEB C#CCOc1ccc(F)cc1NC(=O)NCc1cccc(CO)c1 76081695 JGCBQEKPJATDGX-UHFFFAOYSA-N 328.343 2.652 30 40 EFEB CN1CCN(c2ccc(CNc3c(F)cc(C#N)cc3F)cn2)CC1 58289675 PEGOBNGLOWBPGL-UHFFFAOYSA-N 343.381 2.595 30 40 EFEB CCN(C(=O)C1=NN(CC(C)C)C(=O)CC1)c1ccc(C#N)cc1 97147114 OWXYPQAQGKUCAU-UHFFFAOYSA-N 326.400 2.546 30 40 EFEB Cc1nccn1-c1ncccc1NC(=O)[C@@H](C)Oc1cccc(C#N)c1 58329240 PXGSHRQTRKLAHE-CYBMUJFWSA-N 347.378 2.853 30 40 EFEB Cc1ccccc1C1(CNC(=O)C(=O)Nc2ccc(CC#N)cc2)CC1 65621028 OALILUFCVXXMDD-UHFFFAOYSA-N 347.418 2.848 30 40 EFEB CC1(C)CC(=O)C2=C(C1)OC(N)=C([N+](=O)[O-])[C@@H]2c1ccc(F)cc1 4770212 IQLPAPGQEZTDQL-CYBMUJFWSA-N 332.331 2.987 30 40 EFEB N#Cc1cc(N[C@@H]2CCN(c3ncccc3F)C2)ccc1[N+](=O)[O-] 97145080 IHWWRYAAUOREBK-CYBMUJFWSA-N 327.319 2.691 30 40 EFEB C[C@H](NC(=O)CO/N=C(\N)c1ccc(Cl)cc1)[C@@H]1C[C@H]2CC[C@H]1C2 110509293 DSFBXIGIVQAVKA-DUPGQFARSA-N 349.862 2.918 30 40 EFEB CC(C)COn1c(N/N=C/c2ccccc2)nc2ccccc2c1=O 9357160 JRDCRZYKZPTWIQ-UDWIEESQSA-N 336.395 2.927 30 40 EFEB N#C[C@@H](NC(=O)CCNC(=O)c1ccco1)c1c(F)cccc1Cl 69618754 OSNWQJBSKZXVGP-GFCCVEGCSA-N 349.749 2.573 30 40 EFEB C#CCOc1ccc(N(C)C(=O)CCNC(=O)c2ccsc2)cc1 69669855 HGUGZFQLMRRUER-UHFFFAOYSA-N 342.420 2.543 30 40 EFEB NC(=O)N1CCC(=N/N=C(/C(=O)c2ccccc2)c2ccccc2)CC1 71889256 DSBAMBNNVLYJKP-PTGBLXJZSA-N 348.406 2.889 30 40 EFEB COc1cc([N+](=O)[O-])cc(/C=N/Nc2ccc([N+](=O)[O-])cc2)c1O 35183217 XKZIWTNVVWZRBT-OVCLIPMQSA-N 332.272 2.663 30 40 EFEB N#Cc1ccc([C@H]2C[C@@H](c3ccccc3)Oc3[nH]c(=O)[nH]c(=O)c32)cc1 226761722 FFWHJLWGDLPXOS-CVEARBPZSA-N 345.358 2.591 30 40 EFEB CC1CCN(C(=O)Cn2c(C#N)cc(N)c2Cc2ccccc2)CC1 225858288 LOFSPIMMMFEGMI-UHFFFAOYSA-N 336.439 2.791 30 40 EFEB Cn1ncnc1CCNC(=O)Nc1cccc(C#Cc2ccccc2)c1 88350637 WDDLHUPGLLGYKI-UHFFFAOYSA-N 345.406 2.579 30 40 EFEB CCN(CC)/C(N)=N/C[C@@H]1CCCN(C)[C@@H]1c1ccc(OC)cc1 97227331 RXQYSLUVPJWVFR-FUHWJXTLSA-N 332.492 2.735 30 40 EFEB C=CCOc1ccccc1C(=O)N1CC[C@H](n2cc(C3CC3)nn2)C1 585131428 VRGSPHWWECTIHR-HNNXBMFYSA-N 338.411 2.808 30 40 EFEB CCOC(=O)COc1cc(Br)c(/C=N/O)cc1OCC 1019128 LSVAUJYCAJTDSE-VIZOYTHASA-N 346.177 2.598 30 40 EFEB Cc1c(C#N)c(NC(=O)Cn2ccnc2)n(-c2cccc(F)c2)c1C 29594439 ONLUPZCGTBESIC-UHFFFAOYSA-N 337.358 2.940 30 40 EFEB CCCc1nnc(SCC(=O)Nc2ccccc2C#N)n1CC 7605519 IPALRBYSWJAJTQ-UHFFFAOYSA-N 329.429 2.853 30 40 EFEB COc1ccc(C(=O)[C@@]2(C)N(O)[C@@H](C)C(c3ccccc3)=[N+]2[O-])cc1 7813393 PKIIXIJXLRUQSM-DJJJIMSYSA-N 340.379 2.687 30 40 EFEB N#CCN(C(=O)COC(=O)C[C@@H]1C[C@H]2CC[C@H]1C2)c1ccccc1 108858409 MQXIFTFTCLAQHJ-JYJNAYRXSA-N 326.396 2.913 30 40 EFEB N#Cc1ccc(NC(=O)NC2CCN(CCc3ccncc3)CC2)cc1 58246062 TXEDZOSJAFNUEI-UHFFFAOYSA-N 349.438 2.782 30 40 EFEB N#Cc1ccsc1NC(=O)CN1CCc2ccc([N+](=O)[O-])cc21 97374268 GRQBTBCDOFBZGG-UHFFFAOYSA-N 328.353 2.529 30 40 EFEB CCC(=O)N1CC[C@H](NCc2ccc(OC)c(C#N)c2)[C@@H](CC)C1 89948878 XZZNEXUEJKZSQE-RDJZCZTQSA-N 329.444 2.694 30 40 EFEB COCCCN/C(=N/[C@@H](C)c1cccs1)NCC[C@H]1CCCO1 75583312 FJDCCHBKVMYBCN-LSDHHAIUSA-N 339.505 2.950 30 40 EFEB C[C@@H](OC(=O)c1ccc(Cl)nc1)C(=O)NC1(C#N)CCCCC1 6635820 BWJLVPNFPUKUNN-LLVKDONJSA-N 335.791 2.623 30 40 EFEB CN(C[C@H](O)C1CC1)C(=O)Nc1cccc(C#Cc2ccccn2)c1 79804045 AIJCYFBTDJQFKQ-IBGZPJMESA-N 335.407 2.716 30 40 EFEB N#Cc1cc(NCCS(=O)(=O)c2ccccc2)nc2ccccc12 91460287 RSMIFDMCBHNRQW-UHFFFAOYSA-N 337.404 2.992 30 40 EFEB Cn1cnnc1CNC(=O)c1ccc(Sc2ccccc2C#N)cc1 96449483 RLPDADMTUJYOTK-UHFFFAOYSA-N 349.419 2.768 30 40 EFEB CS(=O)(=O)c1ccccc1-n1cc(N[C@@H]2CCC[C@H](C#N)C2)cn1 613255727 FQMQEANKHZUSPE-UONOGXRCSA-N 344.440 2.770 30 40 EFEB CC#CCCNC(=O)N1CCC[C@H]2CN(C(=O)OC(C)(C)C)CC[C@H]21 1615572365 XGEQDXSUSULPOV-JKSUJKDBSA-N 349.475 2.831 30 40 EFEB CC(=O)O[C](CC=C(C)C)C1=CC(=O)c2c(O)ccc(O)c2C1=O 1560405214 RDGYMQZKQKRCJX-UHFFFAOYSA-N 329.328 2.855 30 40 EFEB C#CCN1CCCC[C@@H]1C(=O)Nc1ccc(OC)c(OC(F)F)c1 40134977 MYABZDJROOLACA-CYBMUJFWSA-N 338.354 2.723 30 40 EFEB CCN(CC)S(=O)(=O)c1ccc(NC(=O)C2(C#N)CCCC2)cc1 20962429 DCLVAWWIQYRJNW-UHFFFAOYSA-N 349.456 2.740 30 40 EFEB N#Cc1ccc(SCCN2C(=O)CCC2=O)cc1C(F)(F)F 97050300 XEYHCBFALYLHKQ-UHFFFAOYSA-N 328.315 2.818 30 40 EFEB N#Cc1cnc(SCc2noc(-c3ccc(Cl)cc3)n2)nc1N 23055597 UHBJVDIPPYGMSL-UHFFFAOYSA-N 344.787 2.926 30 40 EFEB CN1C(=O)C(=O)/C(=C(/O)c2ccccc2)[C@@H]1c1ccccc1[N+](=O)[O-] 104145678 XDRZDEYKQNDOAD-IDTYTIONSA-N 338.319 2.646 30 40 EFEB N#Cc1cccc(S(=O)(=O)Nc2cccc(NC(=O)C3CC3)c2)c1 12521058 QNBSUUSOONLJDF-UHFFFAOYSA-N 341.392 2.708 30 40 EFEB COc1ccc([C@@H]2[C@H]3CCCC[C@]3(O)CCN2CC#N)cc1OC 61931149 XIIIERLRZPQPKY-LZQZEXGQSA-N 330.428 2.895 30 40 EFEB N#Cc1ccc(OCCOC(=O)C2C[C@@H]3CCC[C@H](C2)C3=O)cc1 11135977 HOUFQFJEAJUAIH-XYPWUTKMSA-N 327.380 2.876 30 40 EFEB C#CCOc1ccc(NC(=O)NC[C@](C)(O)c2ccsc2)cc1 77704487 FKSUWIDQSPZHOG-KRWDZBQOSA-N 330.409 2.789 30 40 EFEB C=CCN(Cc1cccs1)CN1C(=O)NC2(CCCCC2)C1=O 14138187 SOKUEJXNHJVVAY-UHFFFAOYSA-N 333.457 2.948 30 40 EFEB COc1cc(/C=N/n2cnnc2)ccc1OCc1ccc(F)cc1 5720260 QBWSXRBEDOYFOH-ZVBGSRNCSA-N 326.331 2.887 30 40 EFEB CCOc1ccc(NC(=O)C[C@H]2S/C(=N\[C@@H](C)CC)NC2=O)cc1 7850416 QJVFEKSFWFEGJK-SMDDNHRTSA-N 349.456 2.800 30 40 EFEB CCS(=O)(=O)c1cccc(C(=O)N[C@H](C)c2cccc(C#N)c2)c1 95447217 KWCPXALTFAFVKI-CYBMUJFWSA-N 342.420 2.843 30 40 EFEB C[C@@H](CN1CCN(C)CC1)Nc1ccc(C(F)(F)F)c(C#N)c1 95944309 XIJVVGSDRVCKOV-LBPRGKRZSA-N 326.366 2.625 30 40 EFEB CC(C)(C)n1cc(C#N)cc1NC(=O)[C@H]1CCCN(C(=O)C2CC2)C1 78665206 PZHVHTWCMSFVET-HNNXBMFYSA-N 342.443 2.702 30 40 EFEB COc1ccccc1NC(=O)NCCNc1cccc(F)c1C#N 32934657 HNUTVRUBAWSYCL-UHFFFAOYSA-N 328.347 2.940 30 40 EFEB C=CCSc1nnc(NC(=O)Cc2ccccc2[N+](=O)[O-])s1 223292270 VVPFNIYAZDCOKB-UHFFFAOYSA-N 336.398 2.906 30 40 EFEB C=CCc1cc(C(=O)NC[C@H]2COc3ccccc3O2)ccc1OC 225256508 PVZSDANWHXOMTM-INIZCTEOSA-N 339.391 2.994 30 40 EFEB CN(Cc1nc2c(s1)CCCC2)S(=O)(=O)c1ccccc1C#N 80832894 AMUNUJMLRHJWTH-UHFFFAOYSA-N 347.465 2.714 30 40 EFEB CCOC(=O)c1n[nH]c([C@@H](CC(C)C)NCc2cccc(C#N)c2)n1 585116614 CRKWSOYRNHHREN-OAHLLOKOSA-N 341.415 2.730 30 40 EFEB N#Cc1ccc(CS(=O)(=O)N2CCC[C@@H](C(F)(F)F)C2)cc1 15516946 OIHFMWLWGOAKIE-CYBMUJFWSA-N 332.347 2.662 30 40 EFEB C=CCN1c2ccccc2N(C(C)=O)[C@H]2C(C(=O)OCC)=C(C)O[C@@H]21 4624356 NHLLPDYCNTXYSA-ROUUACIJSA-N 342.395 2.608 30 40 EFEB CC/N=C1\S[C@@H](CC(=O)Nc2ccccc2CC)C(=O)N1CC 100885185 IDPDWDDFXZVNMB-DNZUHHBVSA-N 333.457 2.917 30 40 EFEB N#CC1(NC(=O)CNc2ccc(OC(F)(F)F)cc2)CCCC1 40473212 JVNHVYVTDNXHIT-UHFFFAOYSA-N 327.306 2.950 30 40 EFEB N#Cc1ccccc1OS(=O)(=O)c1cc([N+](=O)[O-])ccc1Cl 6626529 SDIQANLOFAWBNT-UHFFFAOYSA-N 338.728 2.888 30 40 EFEB Cc1nn(C)cc1[C@@H](C)NC(=O)C(F)(F)C(F)(F)C(F)(F)F 2781448 PLMHNBMAVHENGU-RXMQYKEDSA-N 335.223 2.739 30 40 EFEB CCOC(=O)c1sc(N)c(C#N)c1CN1CCc2ccccc2C1 23991061 GRSBKHJAYYRNTH-UHFFFAOYSA-N 341.436 2.937 30 40 EFEB CC(C)C(=O)N1CCC(C(=O)[C@H](C#N)c2nc3ccccc3o2)CC1 44919256 FUYADDOLUASKQK-AWEZNQCLSA-N 339.395 2.899 30 40 EFEB C=CCNC(=O)c1cccc(NS(=O)(=O)c2ccc(C)cc2)c1 17791262 QXEHZMYJMUNYFJ-UHFFFAOYSA-N 330.409 2.712 30 40 EFEB COCCCN1CC(=O)C(c2nc(-c3ccc(C)cc3)cs2)=C1N 6550565 RPTJJXANZQYWEH-UHFFFAOYSA-N 343.452 2.667 30 40 EFEB C=CCN1CC[C@]2(CN(Cc3ccco3)C[C@@H]2c2nccs2)C1=O 306132001 KVLIIEJUUGHHAB-CRAIPNDOSA-N 343.452 2.740 30 40 EFEB COc1ccc(CN(C(=O)OC(C)(C)C)[C@H](CS)C(=O)O)cc1 60024716 JNRHFCNVHXAXAM-CYBMUJFWSA-N 341.429 2.815 30 40 EFEB N#CCOc1ccc(CC(=O)NCc2ccc(-n3cccn3)cc2)cc1 72275498 UXYIPKOEZNBUHH-UHFFFAOYSA-N 346.390 2.634 30 40 EFEB N#Cc1cccc(/C=C/C(=O)N[C@@H](CC(N)=O)C2CCCCC2)c1 72310463 DGTXZTPUOJCEAD-FVNWOWOISA-N 325.412 2.512 30 40 EFEB CC(C)(C)OC(=O)N1CCN(C(=O)OCc2ccccc2)[C@H](C#N)C1 79061928 INPROUMRGMMTSE-OAHLLOKOSA-N 345.399 2.768 30 40 EFEB N#Cc1cc(F)ccc1CN1CCC[C@@H]1C(=O)Nc1nccs1 79311649 UAXLWOQXUBAAAV-CQSZACIVSA-N 330.388 2.757 30 40 EFEB COc1ccc(CN[C@@H]2CC[C@H](C(F)(F)F)N(C)C2)cc1C#N 583616487 BYUUMMNQZMFANH-UKRRQHHQSA-N 327.350 2.682 30 40 EFEB O=C(O)c1ccccc1/C=N/Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 13336873 NJIWCXYRLFQRKD-OVCLIPMQSA-N 330.256 2.647 30 40 EFEB Cc1cc(=O)nc(N/N=C/c2c[nH]c3ccc(Br)cc23)[nH]1 18205494 IVAYROBZVBCMRT-REZTVBANSA-N 346.188 2.768 30 40 EFEB Cc1cccc(C(C)C)c1NC(=O)Cn1nc(C)c(C)c(C#N)c1=O 26717047 GJTGADOENUYLCU-UHFFFAOYSA-N 338.411 2.802 30 40 EFEB O=C1O[C@@H](c2ccc([N+](=O)[O-])cc2)C(C(=O)c2ccccc2)=C1O 6909234 VBORQXYPZCRCSV-INIZCTEOSA-N 325.276 2.888 30 40 EFEB C=CCn1c(S)nnc1-c1sc(NC(=O)C2CCC2)nc1C 30672621 PMJZAHHZZDNWLG-UHFFFAOYSA-N 335.458 2.923 30 40 EFEB COc1ccc(/C=N/n2cnc3c([nH]c4ccc(OC)cc43)c2=O)cc1 184936 AXIVFNHKJQUCHG-UFFVCSGVSA-N 348.362 2.777 30 40 EFEB C#CCN(Cc1ccc(-c2ccccc2)o1)[C@H]1CCS(=O)(=O)C1 92192849 VVRUNTUKRCXGJV-INIZCTEOSA-N 329.421 2.569 30 40 EFEB Cc1nnc(NCc2cccnc2OCC(F)(F)F)c(C#N)c1C 46483642 QSLUANXLQADICW-UHFFFAOYSA-N 337.305 2.913 30 40 EFEB N#C[C@H](C(=O)[C@H]1CCCN(C(=O)Cc2ccccc2)C1)c1ccccn1 41480958 BSLULIUOUVFTDX-ROUUACIJSA-N 347.418 2.739 30 40 EFEB C=CCNC(=O)CSCc1nn(-c2ccccc2)c2c1CCC2 78394071 DUSLIBVRAOGOSR-UHFFFAOYSA-N 327.453 2.896 30 40 EFEB C=CCN(Cc1cccs1)C(=O)CN1CCn2c(nc(C)c2C)C1 97201149 CAGCNORIXGPLFZ-UHFFFAOYSA-N 344.484 2.592 30 40 EFEB CC(C)c1cc(C(=O)N[C@H](C#N)c2cnn(-c3ccccc3)c2)nn1C 84622471 SDZNPQWHHKFDAP-QGZVFWFLSA-N 348.410 2.724 30 40 EFEB C=CCN(c1ccc(C(=O)OC)cc1)S(=O)(=O)c1cccs1 225128333 VNBIVJSPYYKMQG-UHFFFAOYSA-N 337.422 2.916 30 40 EFEB C[C@H](NCCc1ccc(S(C)(=O)=O)cc1)c1cccc(C#N)c1 195550633 LCPAWMZYEPHCCO-AWEZNQCLSA-N 328.437 2.855 30 40 EFEB COc1cccc(/C=C2/CCc3c(ccc(=O)n3C)C2=O)c1OC 585086301 PRLFRZUPBDVHEL-QXMHVHEDSA-N 325.364 2.615 30 40 EFEB Cn1ccnc1[C@H](NC(=O)N1CCc2c(CC#N)cccc2C1)C1CC1 585123258 NAIKMPBGLCBTPD-GOSISDBHSA-N 349.438 2.705 30 40 EFEB N#C[C@@H](C(=O)Cc1cccc(C(F)(F)F)c1)C(=O)Nc1ccccn1 104055945 JXSVKYZSNFKQOP-ZDUSSCGKSA-N 347.296 2.990 30 40 EFEB CCO/C(O)=N/c1nnc(SCC(=O)Nc2ccccc2)s1 32891707 UVLSRUFWRZAROF-UHFFFAOYSA-N 338.414 2.851 30 40 EFEB Cc1ccc(N2C[C@@H](C(=O)[C@H](C#N)c3cc(C)nc(C)n3)CC2=O)cc1 41574746 KBQUXPCDJDYFAI-DOTOQJQBSA-N 348.406 2.631 30 40 EFEB Cn1/c(=N/N=C\c2ccc([N+](=O)[O-])cc2O)sc2ccccc21 59483644 UDIBBAVKYYEPAS-MQJBALOHSA-N 328.353 2.788 30 40 EFEB N#Cc1cc(Br)ccc1NCC1(CO)CCOCC1 104393688 KSQGGQKHNBRYJZ-UHFFFAOYSA-N 325.206 2.522 30 40 EFEB CC(=O)N1CCc2cc(NC(=O)CNc3ccc(C#N)cc3)ccc21 12543898 YEUSXOPFQKHDPZ-UHFFFAOYSA-N 334.379 2.518 30 40 EFEB Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H](C)c1cccs1 17842409 IJDSANOBHGGFNN-LBPRGKRZSA-N 329.425 2.735 30 40 EFEB C=CCO[C@H](C)C(=O)NC[C@@H](c1cccc(OC)c1)N1CCCC1 69347574 GLTYMSVEDQTXPL-QAPCUYQASA-N 332.444 2.539 30 40 EFEB CCO[C@H]1C[C@@H](O)C12CCN(c1cc(C#N)nc3ccccc13)CC2 95403275 ZXGUYDNUXXNTNY-MOPGFXCFSA-N 337.423 2.863 30 40 EFEB O=S(=O)(/N=C(\O)CC1CCC1)c1cnn(-c2ccccc2F)c1 95405030 WVGMUDZRZXNHGH-UHFFFAOYSA-N 337.376 2.847 30 40 EFEB C/C(=N/Nc1ncccc1[N+](=O)[O-])c1cnnc(-c2ccccc2)n1 68602675 UFHZVIJVMJGEIT-JAIQZWGSSA-N 335.327 2.678 30 40 EFEB C=CCN1C(=O)N/C(=C\c2ccc(-c3cccc(C(=O)O)c3)o2)C1=O 409135033 QVURZFHCPRYFRJ-UVTDQMKNSA-N 338.319 2.724 30 40 EFEB C#CCCCC(=O)N1CCC[C@H](N2CCN(c3ccccc3)CC2)C1 521396382 SUDUSXGFXVDUEA-FQEVSTJZSA-N 339.483 2.603 30 40 EFEB N#Cc1ccc(OC[C@H](O)COc2cccc3[nH]ccc23)c(F)c1 195545860 KUQGVBNLNMPMBO-CYBMUJFWSA-N 326.327 2.997 30 40 EFEB C=CCSCC(=O)Nc1ccc(I)cn1 96423213 MHFHGPNMZDYBIA-UHFFFAOYSA-N 334.182 2.544 30 40 EFEB C=CCOC[C@@H]1CCC[C@@]12CN(C(=O)c1cccc(C)n1)CCO2 96063272 FWJDMROROPAHSU-QFBILLFUSA-N 330.428 2.604 30 40 EFEB O/C(COC[C@H]1CCCO1)=N\c1nc(-c2ccc(Cl)cc2)n[nH]1 95349720 GOGGJKBCHBNYAI-GFCCVEGCSA-N 336.779 2.909 30 40 EFEB C#CCN1CCCC[C@@H]1C(=O)NCc1ccnc(OC2CCCC2)c1 57182678 URKKSEPZZLNXLK-GOSISDBHSA-N 341.455 2.507 30 40 EFEB N#Cc1ccc(CNCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)cc1 54179567 XUHGLWFJJXLPPW-IBGZPJMESA-N 348.450 2.550 30 40 EFEB Cn1c(=O)c(CN(CC#N)Cc2ccccc2)nc2cc(F)ccc21 97201028 GDPVFIJTOVQXKI-UHFFFAOYSA-N 336.370 2.598 30 40 EFEB C=CC/N=C1\SC(C)(C)C(=O)N1S(=O)(=O)c1ccc(C)cc1 11859307 YEOUTIPMTBJTHN-PEZBUJJGSA-N 338.454 2.580 30 40 EFEB N#Cc1ccc(N2CCN(CCOc3ccccc3Cl)CC2)nc1 40024910 UBOQVTJWBOKJBU-UHFFFAOYSA-N 342.830 2.808 30 40 EFEB COC(=O)[C@H]1C(=O)C2=C(C[C@@H]1C)NC(=O)C[C@@H]2c1ccc(Cl)cc1 4915849 CGHDKDJSZUBWGM-TURKWSHLSA-N 347.798 2.596 30 40 EFEB CCc1nnsc1C(=O)NCCSCc1ccccc1C#N 24354743 FGLLKWAVKNRKEV-UHFFFAOYSA-N 332.454 2.635 30 40 EFEB S=C(N/N=C\c1ccc(N2CCOCC2)cc1)Nc1ccccc1 409100960 XKUPIRLWUFPVHN-RGEXLXHISA-N 340.452 2.844 30 40 EFEB COc1ccc([C@H]2/C(=N/O)C(c3ccccc3)=Nc3ncnn32)cc1 13149417 JSBFDWCYTXJZPK-JMMZKRSASA-N 333.351 2.841 30 40 EFEB Cc1ccccc1CN1CCCN(S(=O)(=O)CCCCC#N)CC1 65541780 DQMWIGDDHRRBLU-UHFFFAOYSA-N 349.500 2.526 30 40 EFEB COc1cc(C)c(Nc2ncnc3c2cnn3CCC#N)cc1OC 65520302 HCAYXNYKSOKGGI-UHFFFAOYSA-N 338.371 2.809 30 40 EFEB C=CCN(CC(F)(F)F)C(=O)c1ccc2c(c1)NC(=O)CS2 66292351 INGLBWRSQFAWHH-UHFFFAOYSA-N 330.331 2.921 30 40 EFEB N#Cc1cc(NCc2ccnc(N3CCOCC3)c2)c2ccccc2n1 72297727 RFSOZKVIVHOGRF-UHFFFAOYSA-N 345.406 2.950 30 40 EFEB N#Cc1cc([N+](=O)[O-])ccc1NCCc1ccc2c(c1)OCCO2 4905029 COQBZNPYCPJWSK-UHFFFAOYSA-N 325.324 2.892 30 40 EFEB N#C[C@@H](NC(=O)c1n[nH]c2ccccc12)c1cnn(-c2ccccc2)c1 68398406 HZOAKBJOYIJFQV-QGZVFWFLSA-N 342.362 2.743 30 40 EFEB COc1ccc(/C=C2\Oc3cc(OS(C)(=O)=O)ccc3C2=O)cc1 9420474 OQQLWIMJCSRLOR-SXGWCWSVSA-N 346.360 2.650 30 40 EFEB CN(C)C(=O)[C@@H]1CC[C@H](CNc2ccc(C(F)(F)F)c(C#N)c2)O1 97145456 NCPSLRWKMPYRMN-OCCSQVGLSA-N 341.333 2.625 30 40 EFEB C=CCNC(=O)CN1c2ccccc2NC(=O)C[C@@H]1c1ccccc1 97141056 CIKRBZLVBWKSRF-GOSISDBHSA-N 335.407 2.879 30 40 EFEB C#CCN(Cc1ccc(C)cc1)C(=O)c1ccnc(N2CCCC2)n1 71916049 NWGDGLKBFLEQML-UHFFFAOYSA-N 334.423 2.661 30 40 EFEB COC(=O)[C@H](C)[C@@H](NC(=O)c1sccc1C#N)c1ccccc1 79634721 HAPJREOZEHEIFA-BXUZGUMPSA-N 328.393 2.900 30 40 EFEB C[C@H](NC1CCN(c2ccc(C#N)cn2)CC1)c1cccc(CO)c1 95988806 CAJCICZLGDQBAQ-HNNXBMFYSA-N 336.439 2.765 30 40 EFEB CCc1ccc(C(=O)C2=C(CC(=O)O)C(=O)N(CC)[C@H]2SC)cc1 62716314 STNDZDSDLCHRBR-SFHVURJKSA-N 347.436 2.754 30 40 EFEB C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@]2(O)[C@@H](O)CO 6067500 XNFSGLNHLVHCFT-MQWPULPWSA-N 348.483 2.603 30 40 EFEB biogenic,in-vitro COCc1nc(C)cc(N2CC[C@@H](N(C)c3cccc(C#N)c3)C2)n1 585092399 UWUSZERQNSUQHF-QGZVFWFLSA-N 337.427 2.518 30 40 EFEB COc1ccc(/C=N/NC(=S)N/N=C/c2ccc(OC)cc2)cc1 104359 IFRJZSUFZHHXKD-GDAWTGGTSA-N 342.424 2.536 30 40 EFEB N#Cc1ccc(CS(=O)(=O)N2CCC[C@H](C(F)(F)F)C2)cc1 15516948 OIHFMWLWGOAKIE-ZDUSSCGKSA-N 332.347 2.662 30 40 EFEB C=CCNC(=O)Cc1csc(NC(=O)Nc2ccccc2OC)n1 9625903 BWOKHPCXWIGEMB-UHFFFAOYSA-N 346.412 2.640 30 40 EFEB Cc1ccsc1C(=O)N1CCN(c2oc(C3CC3)nc2C#N)CC1 40512064 RVFGZNRNBJJFKT-UHFFFAOYSA-N 342.424 2.756 30 40 EFEB C#CCOc1cccc(CN2[C@@H]3CC[C@@H]2Cc2c(O)nc(C)nc2C3)c1 100216193 MACAEQPCSDDUPT-IAGOWNOFSA-N 349.434 2.634 30 40 EFEB COCc1ccccc1/C(O)=N/S(=O)(=O)c1ccc(C(C)=O)cc1 48473198 STMCKJXTAZEXCJ-UHFFFAOYSA-N 347.392 2.729 30 40 EFEB COc1ccc(CN[C@H]2CCN(C(=O)C(C)C)C[C@@H]2C)cc1C#N 76057810 KLHNURCMVSGFFT-YOEHRIQHSA-N 329.444 2.549 30 40 EFEB CC(C)c1ncncc1C(=O)N1CCCN(c2ccccc2C#N)CC1 65462648 JAGGTIFYFKYOJY-UHFFFAOYSA-N 349.438 2.824 30 40 EFEB Cc1c(CN(C)CC(=O)Nc2cc(F)cc(F)c2)cc(C#N)n1C 93012578 GKPFWZXROQTMDE-UHFFFAOYSA-N 332.354 2.554 30 40 EFEB Cc1nc(C(=O)Nc2ccnn2-c2ccc([N+](=O)[O-])cc2)ccc1C#N 72273581 WXKZTUAZSYPRQR-UHFFFAOYSA-N 348.322 2.608 30 40 EFEB CC(C)C[C@@](C)(C#N)NC(=O)CN1C(=O)CSc2ccccc21 95393480 SUFGHGMDOJBCFA-KRWDZBQOSA-N 331.441 2.570 30 40 EFEB CCc1ccc(C(=O)N(CCC#N)C2CCOCC2)cc1[N+](=O)[O-] 95405835 OBUXJPSYRONZQD-UHFFFAOYSA-N 331.372 2.692 30 40 EFEB COc1ccccc1NC(=O)c1cccc(-n2ncc(C#N)c2N)c1 95956496 ZSNOLFKWWSVCQQ-UHFFFAOYSA-N 333.351 2.587 30 40 EFEB CCc1cc(CN/C(=N/C)N[C@H](C)c2cc(OC)ccc2OC)on1 95964754 RXHFCXNOCFMLBV-GFCCVEGCSA-N 346.431 2.680 30 40 EFEB CC/N=C(/NCc1noc(C)n1)N[C@H](C)c1cc(C)ccc1OC 88924403 YYXVORNNYPGLQE-GFCCVEGCSA-N 331.420 2.511 30 40 EFEB CC(C)n1c(=O)c2sccc2n(Cc2ccc(C#N)cc2)c1=O 32073109 RINNRARPZATAMO-UHFFFAOYSA-N 325.393 2.726 30 40 EFEB CCc1nnc(Sc2nc3nc(C)cc(C)n3n2)c(C#N)c1CC 96466413 OCHLNBOZTFUVHJ-UHFFFAOYSA-N 339.428 2.679 30 40 EFEB C=CCOC[C@H]1CCC[C@@]12CN(C(=O)c1ccc(C)nc1)CCO2 96160891 WABIGFHVEVEZJS-IEBWSBKVSA-N 330.428 2.604 30 40 EFEB CC(C)C[C@H](C#N)NC(=O)[C@@H]1CC(=O)N([C@H](C)c2ccccc2)C1 609600061 QQUIDMFUSPJNMD-DJIMGWMZSA-N 327.428 2.651 30 40 EFEB N#Cc1cccc([C@H](NCCc2cccc(F)c2)P(=O)(O)O)c1 12998745 KWWLXVFHVDONPA-MRXNPFEDSA-N 334.287 2.706 30 40 EFEB Cc1c(Cl)c[nH]c(=NCCCCN2C[C@@H](C)O[C@H](C)C2)c1C#N 612085451 MCSHHWBVAPGAJD-CHWSQXEVSA-N 336.867 2.638 30 40 EFEB N#Cc1ccc(C(=O)N2CC[C@H](COc3ccc(C4CC4)nn3)C2)cc1 1888865778 XUJBDMAXOFJXMH-HNNXBMFYSA-N 348.406 2.767 30 40 EFEB O=C1/C(=C/N2CCN(Cc3ccccc3)CC2)Oc2cc(O)ccc21 100656753 CJHQXYAMQGJIIJ-RGEXLXHISA-N 336.391 2.627 30 40 EFEB O=S(=O)(N/N=C/c1ccc(Br)s1)c1ccccc1 2740331 NOGOHCITAWHFLD-MDWZMJQESA-N 345.243 2.823 30 40 EFEB C=C[C@H]1CN2CC[C@H]1C[C@@H]2CNC(=O)Nc1ccc(C(C)=O)cc1 8300520 GNHDMURNZGYACK-QILLFSRXSA-N 327.428 2.907 30 40 EFEB biogenic,in-vitro C#Cc1cccc(NC(=O)CN(C)C(=O)CCc2ccsc2)c1 47194407 KPUZZRSNHQSWNN-UHFFFAOYSA-N 326.421 2.759 30 40 EFEB C=CCc1cc(OC)cc(CN2CCN(c3ccccn3)CC2)c1O 24031869 LPKNYPJISMLKFF-UHFFFAOYSA-N 339.439 2.847 30 40 EFEB CC(C)S(=O)(=O)N1CC[C@@H](N[C@@H](C)c2ccc(C#N)cc2)[C@@H](C)C1 107058821 WAUBCPIJWHVBOP-RLFYNMQTSA-N 349.500 2.657 30 40 EFEB Cn1cc(NC(=O)Nc2ccc(OCC(F)(F)F)c(C#N)c2)cn1 48078710 UHCYIUZEJPHJEX-UHFFFAOYSA-N 339.277 2.877 30 40 EFEB COc1ccc(CN(C)C(=O)COc2ccccc2C#N)c(OC)c1 10024216 DNDBYLNZFJOHSY-UHFFFAOYSA-N 340.379 2.613 30 40 EFEB Cc1ccnc2nc(C(=O)Nc3ccccc3SCCC#N)nn12 78568467 YQUXRSSXSFBNKV-UHFFFAOYSA-N 338.396 2.691 30 40 EFEB Cc1cc2nnc(SCC(=O)N(C)CCC#N)n2c2ccccc12 4843470 DVJAKGWLUVFWHV-UHFFFAOYSA-N 339.424 2.655 30 40 EFEB COCCn1nc(C)c(CNc2snc(Cl)c2C#N)c1C 71830476 NTMITBKPCRKDAG-UHFFFAOYSA-N 325.825 2.740 30 40 EFEB Cc1cccc(NC(=O)C2CCN(C(=O)C#Cc3ccccc3)CC2)n1 78986083 ATWGHCGWYOPTJT-UHFFFAOYSA-N 347.418 2.619 30 40 EFEB C=CCOC1CCN(S(=O)(=O)Cc2ccccc2Cl)CC1 84638174 CWBUALCWKFDGBX-UHFFFAOYSA-N 329.849 2.837 30 40 EFEB Cc1ncc(CO)c(/C=N/c2ccc3c(c2)N2CCN=C2S3)c1O 67240605 RAMBQXBOMXCPNB-DNTJNYDQSA-N 340.408 2.620 30 40 EFEB O=C1/C(=N\O)c2cc([N+](=O)[O-])ccc2N1CCCOc1ccccc1 46084783 VEGJSKLNLUFEHC-VLGSPTGOSA-N 341.323 2.589 30 40 EFEB C=CCN(c1cccc(C(=O)OC)c1)S(=O)(=O)c1cccs1 225140707 PSBUUXJZMDQCJD-UHFFFAOYSA-N 337.422 2.916 30 40 EFEB N#CCN1CCC(OC(=O)c2ccn(-c3ccc(Cl)cc3)n2)CC1 95441507 DWRHURRUYPORPY-UHFFFAOYSA-N 344.802 2.670 30 40 EFEB CC(=O)N1CCN(Cc2cccc(OCc3cccc(C#N)c3)c2)CC1 96489430 NDJHHXIAZBAZQY-UHFFFAOYSA-N 349.434 2.801 30 40 EFEB Cc1nc(C)c(C#N)c(SCCn2cnc3ccsc3c2=O)n1 96423966 QITLKOSLHCVPFQ-UHFFFAOYSA-N 343.437 2.529 30 40 EFEB O=[N+]([O-])c1ccc(/C=N/Nc2nnc(-c3ccccc3)c(O)n2)cc1 4158758 CHVPMQKXPNXFJC-LICLKQGHSA-N 336.311 2.598 30 40 EFEB Cc1cc(C)nc(-n2ncc(C#N)c2NC(=O)NC2CCCCC2)n1 17071103 VWWZSLJHUQMNDZ-UHFFFAOYSA-N 339.403 2.605 30 40 EFEB N#Cc1ccc(C(=O)N2CCC[C@@H](Cc3nc(C4CC4)no3)C2)cc1 217813346 IBBQBEVMMZIVKC-AWEZNQCLSA-N 336.395 2.914 30 40 EFEB Cc1ccc(Cl)cc1NC(=O)CSc1ncc(C#N)c(N)n1 419941 DXFWBLDLZHDGBG-UHFFFAOYSA-N 333.804 2.623 30 40 EFEB NC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F 100924706 RRLPIAJKZGGQOY-UHFFFAOYSA-N 345.083 2.913 30 40 EFEB C#CCN1CCC(C(=O)N[C@H](C)c2cc(OC)c(OC)cc2C)CC1 58158221 OWRKLMQGZRYTEY-OAHLLOKOSA-N 344.455 2.535 30 40 EFEB N#CCCN(CCC#N)C(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1 58306135 ZKTYLFYMHKSZGY-KRWDZBQOSA-N 342.418 2.694 30 40 EFEB C[C@@H]1CN(CC(=O)/C=C2/N(C)c3ccccc3C2(C)C)[C@H](C)CO1 48248357 WONFWFCZLMJUER-LBDLAYEZSA-N 328.456 2.976 30 40 EFEB CSc1sc(NS(=O)(=O)c2cccc(C#N)c2)nc1C 66254452 TZXABYXNFBPHGW-UHFFFAOYSA-N 325.440 2.846 30 40 EFEB Cc1nn(C(C)C)c(C)c1S(=O)(=O)N[C@H](C#N)C1CCCCC1 89505564 CPZVPXLIMNNVEJ-OAHLLOKOSA-N 338.477 2.832 30 40 EFEB COc1ccc([C@@H](O)CNC(=O)C(C)(C)c2cccc(C#N)c2)cc1 89761859 LMHOITIKQLFUQO-SFHVURJKSA-N 338.407 2.694 30 40 EFEB C[C@@H](CC#N)N(C)C(=O)C(=O)Nc1ccc(F)c(C(F)(F)F)c1 132289679 QNMZGZUNBYLYQU-QMMMGPOBSA-N 331.269 2.544 30 40 EFEB Cn1c2ccccc2c2c1cc(C(=O)NCCC#N)n2-c1ncccn1 96037300 BQEJDSJAGUFLCN-UHFFFAOYSA-N 344.378 2.556 30 40 EFEB C=CCOC[C@@H]1CC[C@H]2[C@@H]1OCCN2C(=O)c1ccc(F)c(F)c1 96082477 CHERGVXJESTXQU-RRQGHBQHSA-N 337.366 2.787 30 40 EFEB CCc1n[nH]c(NC(=O)c2sccc2C#N)c1Br 96481609 OEPCCGOWHLDFIL-UHFFFAOYSA-N 325.191 2.920 30 40 EFEB C[C@H]1C[C@@H](CO)CN(c2nc3c(c(C#N)c2C#N)CCCCCC3)C1 584832588 QSOWAQFBSNEZOS-LSDHHAIUSA-N 338.455 2.939 30 40 EFEB C[C@@H]1CCC[C@H](C(=O)OC(C)(C)C)N1C(=O)c1ccc(C#N)cn1 585125202 KEXSYKLDKRVPFA-IUODEOHRSA-N 329.400 2.678 30 40 EFEB Cc1noc([C@H]2CN(Cc3ccc(C#N)cc3Cl)C[C@@H](C)O2)n1 599608563 VNGFAHOSTYATMI-MEBBXXQBSA-N 332.791 2.865 30 40 EFEB Cc1ccc(N(CCC#N)C(=O)CNC(=O)Cc2ccccc2)cc1C 69419278 BUMVGKQFRRTFSO-UHFFFAOYSA-N 349.434 2.909 30 40 EFEB O=C1NN=C(C(F)(F)F)/C1=N/Nc1cc(Cl)ccc1Cl 13407973 ZPALTLHJAPXNCD-UHFFFAOYSA-N 325.077 2.809 30 40 EFEB biogenic CCc1ccccc1N1CC(=O)C(c2nc3ccccc3n2C)=C1N 5012135 ZWSLQAZHECSEMM-UHFFFAOYSA-N 332.407 2.852 30 40 EFEB N#Cc1ccc(CN2CCN(c3ncnc(C4CC4)c3F)CC2)cc1 1888853320 BLSNJNNNAAPZRJ-UHFFFAOYSA-N 337.402 2.687 30 40 EFEB CC(=O)C1=C(O)C(=O)N(CCCCCC(=O)O)[C@@H]1c1ccc(C)cc1 20057363 SJZNHHZNFFKPHK-QGZVFWFLSA-N 345.395 2.924 30 40 EFEB CSc1nn(-c2cc(Oc3cccc(C)c3)ncn2)c(N)c1C#N 385038 URIFKZJJSHFUHY-UHFFFAOYSA-N 338.396 2.939 30 40 EFEB Cc1c(Cl)cccc1NC(=O)CSc1ncc(C#N)c(N)n1 421746 SWSQYHJVQLZDMI-UHFFFAOYSA-N 333.804 2.623 30 40 EFEB C=C(C)C[C@H]1N(c2ccccc2C)C(=O)[C@H]2[C@@H](C(=O)O)[C@H]3C=C[C@]21O3 4200213 INFSPPRSFZBLBY-ISIBIEBGSA-N 339.391 2.701 30 40 EFEB Cc1nnc(NCCc2csc(N3CCCC3)n2)c(C#N)c1C 76063521 PJXGGZUSWRZSNR-UHFFFAOYSA-N 328.445 2.676 30 40 EFEB CCN(CC)C(=O)c1cccc(N/C(C)=C2\C(=O)C=C(C)OC2=O)c1 101638626 XPIVJLJDSWJFDH-GHRIWEEISA-N 342.395 2.884 30 40 EFEB CCN(CC(=O)N(C)C1(C#N)CCCCC1)c1cccc(CO)c1 58307438 GVWGVYWCYKTGKZ-UHFFFAOYSA-N 329.444 2.690 30 40 EFEB N#Cc1ccccc1NC(=O)COC(=O)c1ccc2ncsc2c1 3400432 CGLOVLZFRDTZBW-UHFFFAOYSA-N 337.360 2.963 30 40 EFEB CCOC(=O)[C@H](Cc1ccccc1)N(C)C(=O)c1cccc(C#N)c1 69740755 ZHWOIFUOWRSNGT-SFHVURJKSA-N 336.391 2.805 30 40 EFEB N#C[C@H](NC(=O)c1ccc(O)c([N+](=O)[O-])c1)c1cccc(Cl)c1 97112685 OTRUBVNYOJMBFK-LBPRGKRZSA-N 331.715 2.948 30 40 EFEB CCCNc1ccc(C#N)cc1NC(=O)[C@@H](C)NC(=O)c1ccoc1 78878844 ILGNQBZNWBCDCI-GFCCVEGCSA-N 340.383 2.730 30 40 EFEB N#C[C@H](NC(=O)c1ccc2c(c1)COCO2)c1ccc(F)cc1F 73426082 WANWXDQYJCCMMH-HNNXBMFYSA-N 330.290 2.826 30 40 EFEB COC(=O)[C@H](NC(=O)OC(C)(C)C)[C@H](C)B1OC(C)(C)C(C)(C)O1 1535645026 OZUZKIPTIWOLBK-WDEREUQCSA-N 343.229 2.535 30 40 EFEB N#Cc1cccc(NCc2cc3n(n2)CCN(C2CCCCC2)C3)n1 82161287 AICUULRUZAJYTF-UHFFFAOYSA-N 336.443 2.910 30 40 EFEB C[C@H](c1cc2ccccc2o1)N(C)C(=O)Cn1cnc(C#N)c1C#N 97379977 QTBBYUYACMLAMR-GFCCVEGCSA-N 333.351 2.592 30 40 EFEB CC[C@H](CC#N)NC(=O)[C@H](NC(=O)OC(C)(C)C)c1ccccc1O 585089292 BDRNPACYFXPLKZ-IUODEOHRSA-N 347.415 2.766 30 40 EFEB N#C[C@]1(CO)[C@H](c2ccc(Cl)cc2)[C@H]1S(=O)(=O)c1ccccc1 252515667 MLXAEWBNVQSIAH-ZACQAIPSSA-N 347.823 2.782 30 40 EFEB N#Cc1ccccc1Cn1nc(-c2cccc3ncccc23)oc1=O 13565820 ZYJCUEBQHLZPNS-UHFFFAOYSA-N 328.331 2.971 30 40 EFEB Cc1cc(C)cc(OCCN(C)S(=O)(=O)c2ccc(C#N)cc2)c1 14186748 RTYODJNXWXKPRE-UHFFFAOYSA-N 344.436 2.875 30 40 EFEB C#CCN1CCC(C(=O)N2c3ccccc3N(C)CC[C@H]2C)CC1 96425353 UBFKFUMITCTDBO-MRXNPFEDSA-N 325.456 2.593 30 40 EFEB CCc1noc(CN(C)CCC(=O)Nc2ccc(C#N)c(Cl)c2)n1 69775772 WUKGYGSLIMCYRZ-UHFFFAOYSA-N 347.806 2.618 30 40 EFEB N#Cc1cccc(CNC[C@@H](c2ccc(F)cc2)N2CCOCC2)c1 48355049 XBZOVYPFYSWCFS-FQEVSTJZSA-N 339.414 2.860 30 40 EFEB CNC(=S)N/N=C/c1ccc(OCc2ccccc2F)c(OC)c1 6179194 GRJMZABVYDGDNR-KEBDBYFISA-N 347.415 2.841 30 40 EFEB NC(N)=N/N=C/c1ccc(OCc2ccc(Br)cc2)cc1 4676529 ZNKHNKYKHHQKMO-DJKKODMXSA-N 347.216 2.635 30 40 EFEB CC1(C)CC(=O)C2(C(=O)C1)[C@@H](c1ccc([N+](=O)[O-])cc1)C2(C#N)C#N 5727674 NQOQKCIUNHLJQH-HNNXBMFYSA-N 337.335 2.670 30 40 EFEB C[C@@H]1CO[C@@H](c2ccccc2)CN1S(=O)(=O)c1cccc(C#N)c1 66934638 NQCVIFUTOQVPDB-RDTXWAMCSA-N 342.420 2.709 30 40 EFEB N#Cc1ccc([C@H]2[C@@H](C(=O)O)CC(=O)N2CCc2ccccc2)cc1 69493757 MHRAEHAOQNBWQS-HKUYNNGSSA-N 334.375 2.775 30 40 EFEB N#C[C@H](C1CCCCC1)N1CCN(C(=O)CCc2ccccn2)CC1 71841950 GYQLOEOJOZOJJR-LJQANCHMSA-N 340.471 2.631 30 40 EFEB N#Cc1ccc(C(F)(F)F)nc1N[C@H]1CCO[C@]2(CCOC2)C1 95458047 VEWYVXWQOHGTLY-SMDDNHRTSA-N 327.306 2.722 30 40 EFEB CC(C)(C)n1cc(C#N)cc1NC(=O)Cn1ccc(C(F)(F)F)n1 78665307 ZCVRVGZGDSZVEZ-UHFFFAOYSA-N 339.321 2.969 30 40 EFEB C[C@H]1CN(S(=O)(=O)c2cccc(C#N)c2)[C@H](c2ccccc2)CO1 96433551 ROHVOLUCKBEXMW-KSSFIOAISA-N 342.420 2.709 30 40 EFEB N#C[C@]1(CO)[C@H](c2cccc(Cl)c2)[C@H]1S(=O)(=O)c1ccccc1 242522259 IOGHZKOBTKSAEG-ZACQAIPSSA-N 347.823 2.782 30 40 EFEB CC1CC(C(=O)N2CC[C@@]3(CC(=O)N(c4ccc(C#N)cc4)C3)C2)C1 1614949005 ZPILHVPTWGKARO-QJXPYNDKSA-N 337.423 2.560 30 40 EFEB N#Cc1c(CN2CCN(c3ccc(O)cc3)CC2)cn2ccccc12 40032339 WAOHZLAQZPWWRM-UHFFFAOYSA-N 332.407 2.839 30 40 EFEB COc1ccccc1[C@@H](C#N)NC(=O)c1cccc(-c2n[nH]c(C)n2)c1 76061252 PIEVRQJBENPRMJ-MRXNPFEDSA-N 347.378 2.783 30 40 EFEB C[C@@H](NC(=O)c1cccc(Cl)c1Cl)/C(O)=N/c1ncn[nH]1 52555492 YASKERIUSSZMHU-ZCFIWIBFSA-N 328.159 2.518 30 40 EFEB C=CCSc1nc(=O)c2c(n1C)NC(=O)C[C@H]2c1ccc(F)cc1 4944600 VUMMZYPMHXFGFI-LBPRGKRZSA-N 345.399 2.672 30 40 EFEB C=CCOC[C@@H]1C[C@@H]2OCCN(Cc3ccc4c(c3)OCO4)[C@@H]2C1 107804330 WZSSLRDHKPLYIB-JZXOWHBKSA-N 331.412 2.597 30 40 EFEB N#CC1(NC(=O)CN(Cc2ccccc2)C[C@H]2CCCO2)CCCC1 53230217 MEKIDENIZHPELD-GOSISDBHSA-N 341.455 2.620 30 40 EFEB C=C(C)Cn1cnc2c(oc3nc4c(cc32)COC(C)(C)C4)c1=O 2133590 LSFJMDNDGUTUII-UHFFFAOYSA-N 325.368 2.965 30 40 EFEB biogenic Cc1cc(NS(=O)(=O)C2=Cc3ccccc3CC2)n(CCC#N)n1 66247999 OEVIFKRCSICZBO-UHFFFAOYSA-N 342.424 2.834 30 40 EFEB COC[C@@](C)(C#N)NC(=O)CCc1ncc(-c2ccc(F)cc2F)o1 84640312 VXRONIBKPAIPHE-QGZVFWFLSA-N 349.337 2.597 30 40 EFEB Cc1ccc(S(=O)(=O)[C@H]2[C@@H](C#N)[C@@H]2c2ccc3c(c2)OCO3)cc1 218166577 DJNZMLGMGAHQDY-WBAXXEDZSA-N 341.388 2.803 30 40 EFEB N#Cc1ccc(N2CCC3(CCC(=O)N3Cc3cccnc3)CC2)nc1 96228148 OUODQALHFYEMMM-UHFFFAOYSA-N 347.422 2.510 30 40 EFEB N#C[C@@H]1C(=O)Nc2nn(-c3ccccc3)c(O)c2[C@H]1c1cccs1 14163295 VECLYMWMCMMIDQ-WCQYABFASA-N 336.376 2.863 30 40 EFEB COc1ccc(/C=N/NS(=O)(=O)c2cc(C)ccc2C)c(OC)c1 2631848 WMNPIYYXNKJDKE-WOJGMQOQSA-N 348.424 2.633 30 40 EFEB C=C(C)c1cccc(C(C)(C)NC(=O)NCCCN2CCOCC2)c1 33401490 WOZWSDXPRYZTIJ-UHFFFAOYSA-N 345.487 2.976 30 40 EFEB CCc1nccn1CC1CN(c2ncc(Br)cc2C#N)C1 2087122382 UWHIBWJTANCCFK-UHFFFAOYSA-N 346.232 2.611 30 40 EFEB N#C[C@H](C(=O)c1cscn1)c1nc2cc(Cl)ccc2c(=O)[nH]1 72270923 CBHOPHGTBARQSU-SECBINFHSA-N 330.756 2.523 30 40 EFEB N#CC1(C#N)[C@H](C(=O)c2ccc(Cl)cc2)[C@@]12CC[C@@H]1CO[C@H]2O1 105689689 YBGTXIWVFNFQLD-VWNJHIHFSA-N 328.755 2.708 30 40 EFEB CC1CCN(C(=O)C2CCN(C(=O)c3ccc(C#N)cc3)CC2)CC1 58194253 UYJOGOANPLPLGD-UHFFFAOYSA-N 339.439 2.669 30 40 EFEB C[C@@H](NC(=O)NCCCc1n[nH]c(N)c1C#N)c1ccc(Cl)cc1 48235915 UNESDEOEGRQMQV-SNVBAGLBSA-N 346.822 2.510 30 40 EFEB O=S(=O)(Cc1ccccc1)/N=C(\O)CCc1ccc2c(c1)OCO2 48595551 HYTBZSFBRGGIJK-UHFFFAOYSA-N 347.392 2.834 30 40 EFEB C=CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccc(OCC)cc1 6355252 IOPFRJGAKHTNDJ-OAHLLOKOSA-N 332.425 2.607 30 40 EFEB C=CCc1ccccc1OC[C@@H](O)CN1CCC[C@@H]1c1cnn(C)c1 71799300 QOZBJCQQMSGXSJ-RBUKOAKNSA-N 341.455 2.725 30 40 EFEB COc1ccc(OC)c2c1CN(c1ncc(C#N)cc1Cl)C[C@@H]2O 71867366 UWYMDMUBCCEQQL-ZDUSSCGKSA-N 345.786 2.677 30 40 EFEB C[C@H]1C[C@@H](/C(O)=N/S(=O)(=O)c2cccc(Cl)c2)CCC1=O 95461487 HDDXQEPLUUSFPR-UWVGGRQHSA-N 329.805 2.991 30 40 EFEB CN(CCCc1n[nH]c(N)c1C#N)c1ccc(C(F)(F)F)cc1C#N 95965240 FDEQGKDSSOMVDV-UHFFFAOYSA-N 348.332 2.823 30 40 EFEB COc1ccc2ccccc2c1/C=N/N1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 408719921 SQTZQACLJCCSRC-OTIOQCEHSA-N 346.386 2.989 30 40 EFEB Cc1ccc(C(=O)O)cc1/N=C\c1cn(CC(N)=O)c2ccccc12 409387154 ZWHNGQJZPIIBOV-NKVSQWTQSA-N 335.363 2.884 30 40 EFEB COc1cccc(NC(=O)[C@@H](C#N)Cc2ccc(O)c(OC)c2)c1 4670560 LPCUJZSTSJVHPP-CYBMUJFWSA-N 326.352 2.730 30 40 EFEB N#Cc1c(CN2CCC[C@H]2C(=O)NCc2ccco2)cn2ccccc12 40086085 RHJKYTKOOMXFNX-IBGZPJMESA-N 348.406 2.685 30 40 EFEB CCOC(=O)c1nn(-c2ccc(Cl)cc2Cl)c(N)c1C#N 338931 OYZYDWYOTQBNKF-UHFFFAOYSA-N 325.155 2.810 30 40 EFEB N#C[C@H](C(=O)NC1CC1)c1nc2ccccc2nc1N1CCCCC1 522978 YTTGVQINZCUQAD-AWEZNQCLSA-N 335.411 2.506 30 40 EFEB N#Cc1cccnc1NCCNC(=O)c1ccc(Br)cc1 47252744 PQKCTKVDZULPAN-UHFFFAOYSA-N 345.200 2.558 30 40 EFEB C#Cc1cccc(NC(=O)CNC(=O)N[C@H](C)c2cccc(F)c2)c1 56366067 GXPLTBQUXAHZTH-CYBMUJFWSA-N 339.370 2.806 30 40 EFEB N#Cc1cccc(NC(=O)COC(=O)c2ccc3ncsc3c2)c1 3396019 FCWBZZJMAHONDP-UHFFFAOYSA-N 337.360 2.963 30 40 EFEB COC1=CC(=O)C[C@@H](C)[C@]12Oc1c(Cl)c(O)cc(OC)c1C2=O 6030648 SYNGDIBHUPXIQA-QZTNRIJFSA-N 338.743 2.507 30 40 EFEB endogenous,in-man N#CC1(NC(=O)CN2CCO[C@H](c3ccccc3Cl)C2)CCCC1 69594536 ZOKOYMURTLMOHG-INIZCTEOSA-N 347.846 2.666 30 40 EFEB Cn1c(C2=C(N)N(c3ccccc3Cl)CC2=O)nc2ccccc21 5214021 HHJLMAOFCGRONF-UHFFFAOYSA-N 338.798 2.943 30 40 EFEB C=CCOc1ccc(C(=O)N2CCN(C3CCC3)CC2)cc1OC 69738129 CHRRSLCPFHAFHE-UHFFFAOYSA-N 330.428 2.570 30 40 EFEB N#CC1(NC(=O)c2nccc3ccccc23)CCC2(CC1)OCCO2 69874189 HTCDXESFNNWBDD-UHFFFAOYSA-N 337.379 2.544 30 40 EFEB Cc1nc2ccccc2n1CCNC(=O)[C@H](C)Oc1ccc(C#N)cc1 8135511 CQMBSGNMLSPUGV-AWEZNQCLSA-N 348.406 2.800 30 40 EFEB N#Cc1nc(-c2ccc(Br)o2)oc1N1CCC[C@@H](O)C1 72427582 GIFVKFWHSUXPMU-MRVPVSSYSA-N 338.161 2.530 30 40 EFEB CN1CC[C@@H](NC(=O)c2cc(C#N)c[nH]2)[C@@H]1c1ccc(Cl)c(F)c1 95437236 KJTTWMKWMKYJNA-ZBFHGGJFSA-N 346.793 2.854 30 40 EFEB Cc1ccc(/C(=N\NC(N)=S)c2ccccc2C(=O)O)cc1C 34132362 TUFVJZFDUVAAHY-XDJHFCHBSA-N 327.409 2.587 30 40 EFEB CCC(=O)N1CCC[C@@H](C(=O)OC[C@H](C#N)Cc2ccc(F)cc2)C1 78442595 LZNCOKKLSOMTCE-JKSUJKDBSA-N 346.402 2.700 30 40 EFEB N#Cc1cccc(CN2CCC3(CC2)NC(=O)C[C@@H]3c2cccnc2)c1 96199710 UXBWOUJDTNCGBX-LJQANCHMSA-N 346.434 2.592 30 40 EFEB N#Cc1cccc(N[C@@H]2CO[C@]3(CCCN(Cc4ccncc4)C3)C2)n1 96048321 ZNLYYYAVMFWZJG-AZUAARDMSA-N 349.438 2.584 30 40 EFEB COCCOc1cc(C)ccc1NC(=O)c1cnn(CCC#N)c1C 585126388 XWCSHNSIOZSGSE-UHFFFAOYSA-N 342.399 2.691 30 40 EFEB Cc1ccc(-c2n[nH]c(/N=C(\O)CNC(=O)CC(C)(C)C)n2)s1 57549937 ANNURPJKBQHNGB-UHFFFAOYSA-N 335.433 2.982 30 40 EFEB Cc1ccc(C#N)cc1C(=O)NCCc1nnc(-c2ccccc2)o1 1622793986 KRKZQYFMXFTEIB-UHFFFAOYSA-N 332.363 2.889 30 40 EFEB CCN(CC)CCC[C@H](C)NC(=S)N/N=C(/C)c1ccccn1 5493520 JDELQHHBOGXZLZ-HGVMIPIXSA-N 335.521 2.780 30 40 EFEB COc1ccc([C@@H](C#N)N2C[C@H]3C[C@H](C2)c2cccc(=O)n2C3)cc1 100746510 POSSUNMJJOKNBO-IDHHARJASA-N 335.407 2.541 30 40 EFEB biogenic C/N=C(/NCC1(C)COC1)N[C@@H](C)c1ccc(OCC2CC2)c(F)c1 97021977 MLUMGMRCYGHHSV-ZDUSSCGKSA-N 349.450 2.877 30 40 EFEB C/C(C/C(C)=N/N=C(\N)c1ccccc1)=N\N=C(/N)c1ccccc1 100925867 CGRDCCILUMZPGL-HOFJZWJUSA-N 334.427 2.939 30 40 EFEB Cc1cc(/N=C2\SCC(=O)N2C2CC2)nn1Cc1ccccc1 17066802 FBVXPEHTJMUSKB-ZCXUNETKSA-N 326.425 2.965 30 40 EFEB CC(=O)N[C@@H]1[C@@H](O)C[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C 118913914 FOJQXPABGWZAGJ-VTZQMFNYSA-N 345.483 2.994 30 40 EFEB biogenic,in-vitro COc1ccc(/C=C/C(=O)c2ccc(NS(C)(=O)=O)cc2)cc1 64307893 OXEZOZAAWRJFHF-LFYBBSHMSA-N 331.393 2.963 30 40 EFEB CC[C@](C)(C#N)NC(=O)c1csc(-c2ccc3c(c2)OCO3)n1 69703424 IUNQAWVHUTXSML-MRXNPFEDSA-N 329.381 2.961 30 40 EFEB N#Cc1cnc(N2CCC(C(=O)Nc3ccccn3)CC2)c(Cl)c1 65552210 VYADLSZYGLVIOU-UHFFFAOYSA-N 341.802 2.857 30 40 EFEB C=CCNC(=O)[C@@H](C)OC(=O)Cc1coc2cc3c(cc12)CCC3 16822654 DKDTYUULEJTFAC-GFCCVEGCSA-N 327.380 2.698 30 40 EFEB Cc1ccc(N2CCC[C@H](NCc3ccc(C#N)cc3F)C2)nn1 70037077 GQQNJBPJDZOSOK-INIZCTEOSA-N 325.391 2.554 30 40 EFEB C=CCn1nnnc1S[C@@H](C)c1nc(Cc2ccc(F)cc2)no1 84667705 CCOXSSCKOOHJLH-JTQLQIEISA-N 346.391 2.825 30 40 EFEB Cc1nn(C)c(C)c1[C@H]1COCCN1C(=O)Nc1cccc(C#N)c1 95983599 BQVKTAMIVWZYGZ-MRXNPFEDSA-N 339.399 2.514 30 40 EFEB C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@]2(O)[C@H](O)CO 95865004 XNFSGLNHLVHCFT-SRWWVFQWSA-N 348.483 2.603 30 40 EFEB CC[C@H](C#N)S(=O)(=O)NC(C)(C)c1ccc(Br)cc1 96484874 ZQNFAFYOIZKJHT-GFCCVEGCSA-N 345.262 2.906 30 40 EFEB Cc1cc([N+](=O)[O-])cnc1N1CCN(Cc2ccccc2)[C@@H](C#N)C1 110594323 HOYYDPNUZIWMCN-KRWDZBQOSA-N 337.383 2.513 30 40 EFEB COc1cc(/C=N/OCC(=O)NC2CCCC2)ccc1OC(F)F 3329467 CCTVYTZBOPDFLO-DJKKODMXSA-N 342.342 2.706 30 40 EFEB CC(=O)[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C 895761 LCZBQMKVFQNSJR-MTUNSFAGSA-N 346.467 2.809 30 40 EFEB biogenic N#Cc1ccc(C(=O)N2CCC[C@H](Oc3ncc(Cl)cn3)C2)cc1 575605726 SBROKYDFMHZVJN-HNNXBMFYSA-N 342.786 2.685 30 40 EFEB N#Cc1ccc(N2CCn3c(nnc3C(F)(F)F)C2)cc1Cl 77897589 YLHLSWWBOSWJLN-UHFFFAOYSA-N 327.697 2.842 30 40 EFEB C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1[C@@H](O)C[C@@H]2C(=O)CO 4897154 WLKFAOIOXFCZPW-JHGMSEHPSA-N 346.467 2.667 30 40 EFEB COc1ccccc1/C(N)=N/OCc1cc(Cl)c2c(c1)OCO2 53399677 XELJJZXJPSNOCG-UHFFFAOYSA-N 334.759 2.914 30 40 EFEB COc1ccc(C)cc1CN1CCN(C[C@H](C#N)CCC#N)CC1 26715912 MIEVOYGLQZPLRB-KRWDZBQOSA-N 326.444 2.565 30 40 EFEB C/N=c1\scc(-c2ccc(O)cc2O)n1/N=C/c1ccc(C)o1 12794649 CZDSRSWMHYFSKR-UYYNUIMGSA-N 329.381 2.942 30 40 EFEB COc1ccc(/C=N\Nc2ccccc2[N+](=O)[O-])c(C(=O)O)c1OC 13143074 IUJGIOGBSXCEKO-MFOYZWKCSA-N 345.311 2.756 30 40 EFEB CN(Cc1ccc(C#N)cc1)C(=O)[C@@H]1CCCN1C(=O)C1CCCC1 69699665 QZVQKDREWFLICH-SFHVURJKSA-N 339.439 2.698 30 40 EFEB CN(CCC#N)C(=O)CSc1nnc(-c2cccs2)n1C1CC1 7763579 NVISUBSMUZHSKI-UHFFFAOYSA-N 347.469 2.806 30 40 EFEB Cc1cnc(CN(Cc2ccc(C#N)cc2F)[C@@H]2CCN(C)C2)o1 84259300 CVNDUBLADQMXLW-MRXNPFEDSA-N 328.391 2.700 30 40 EFEB C=CCOc1ccc(CN(C)C2=NS(=O)(=O)c3ccccc32)cc1 9711521 PABQTPYEJKCTMW-UHFFFAOYSA-N 342.420 2.832 30 40 EFEB COC(=O)c1cccc(CC(=O)N[C@H](C#N)c2ccc(F)cc2F)c1 89406900 FSIAEOLFPQNCMD-MRXNPFEDSA-N 344.317 2.675 30 40 EFEB CCN(C[C@@H](C)C#N)C(=O)CNc1ccc(-c2nccc(C)n2)cc1 89961051 ZOEBFSCSVQHJFN-AWEZNQCLSA-N 337.427 2.872 30 40 EFEB COC[C@]1(C#N)[C@H](c2cccc(F)c2)[C@@H]1S(=O)(=O)c1ccccc1 218453515 VNCPVQVZXVUTOD-FGTMMUONSA-N 345.395 2.922 30 40 EFEB Cc1ccc([C@H]2[C@@H](S(=O)(=O)c3ccc(C)cc3)[C@@]2(C#N)CO)cc1 225651454 HGWPRNMHYSLDSG-OTWHNJEPSA-N 341.432 2.745 30 40 EFEB O=C(C#Cc1ccccc1)NC1CCN(C(=O)Nc2ccccc2)CC1 81124048 UJGKRJKZKRTAQT-UHFFFAOYSA-N 347.418 2.851 30 40 EFEB C=CCOC[C@@]12CCCO[C@H]1CCN(C(=O)Cc1ccsc1)C2 96039672 LJXOATZBAJVWAE-WMZOPIPTSA-N 335.469 2.891 30 40 EFEB CCc1nc(C#N)cc(N[C@H](c2cccc(OC)c2)c2nccn2C)n1 585141510 AWVSGAREFZJBKA-GOSISDBHSA-N 348.410 2.854 30 40 EFEB Cc1nc(C(=O)N2CCC[C@@H]2c2c(C)nn(C)c2Cl)ccc1C#N 75602293 SIJXGTRNCHDRSO-CQSZACIVSA-N 343.818 2.934 30 40 EFEB N#Cc1cccc(CS(=O)(=O)N2CCC[C@@H]2c2ccncc2)c1 97252445 NPVILQMHGDQFPH-QGZVFWFLSA-N 327.409 2.620 30 40 EFEB Nc1nc(N2CCOCC2)sc1/C=C1\C=Cc2ccccc2C1=O 16524668 ULZIJEKCCQYLIX-ACCUITESSA-N 339.420 2.855 30 40 EFEB CCOc1ccc(S(=O)(=O)N=C(c2ccccc2)N(C)C)cc1 1889205663 QIFLSIVNRTZHRN-UHFFFAOYSA-N 332.425 2.782 30 40 EFEB C#CCn1/c(=N/C(=O)c2ccc([N+](=O)[O-])o2)sc2cccc(C)c21 100910109 AXIWYFSXZZIWOB-MSUUIHNZSA-N 341.348 2.887 30 40 EFEB CCN(CC)c1ccc(/C=N/N2C(=O)c3ccccc3C2=O)c(O)c1 257148 ORSAHFJXOVNPLN-UDWIEESQSA-N 337.379 2.869 30 40 EFEB C=CCn1c(Cc2ccccc2)nnc1S[C@H]1CCCCNC1=O 32786115 GKMSLVWMPNAPAM-HNNXBMFYSA-N 342.468 2.816 30 40 EFEB C=CCn1c(NCc2ccc(N(C)C)nc2)nc2ccccc2c1=O 69179877 CCEDFDWCFPSYSZ-UHFFFAOYSA-N 335.411 2.656 30 40 EFEB N#C[C@@H](C(=O)C1CCN(C(=O)c2ccccc2)CC1)c1ccccn1 76089806 VYTNJIWURHTHMM-QGZVFWFLSA-N 333.391 2.810 30 40 EFEB C=CCNC(=O)[C@H]1C[C@@H]2CC[C@]1(C)C[C@@]21NC(=O)c2ccccc2N1 100117413 ABGXFBMVSLDRIC-HLXNBZPMSA-N 339.439 2.667 30 40 EFEB Cc1nnc(NCc2ccc(N3CCOCC3)c(F)c2)c(C#N)c1C 44976930 ABQMFBNHWRLWPW-UHFFFAOYSA-N 341.390 2.553 30 40 EFEB C[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)N[C@H](C#N)c1ccsc1 72281827 ZVKRGRMSIDCHGE-IINYFYTJSA-N 347.827 2.901 30 40 EFEB Cn1cc(CNc2ccc([N+](=O)[O-])c(C#N)c2)c(C(F)(F)F)n1 97145253 QBYMLWREHUYCIK-UHFFFAOYSA-N 325.250 2.831 30 40 EFEB C=CCOC(=O)c1sc(N2CCCC2=O)c(C(=O)OCC)c1C 6938441 AAFJBWKWWABKQZ-UHFFFAOYSA-N 337.397 2.703 30 40 EFEB CCOc1ccc(NC(=O)C[C@@H]2S/C(=N\[C@H](C)CC)NC2=O)cc1 7850406 QJVFEKSFWFEGJK-RISCZKNCSA-N 349.456 2.800 30 40 EFEB COC(=O)[C@H](c1cccc(C#N)c1)N(C)CC[C@H]1CCCCN1C 83213687 XCMUOPFVLYBORR-MSOLQXFVSA-N 329.444 2.579 30 40 EFEB N#CC1(NC(=O)CSc2nccn2Cc2ccccc2)CCCC1 9367054 PGXMGSNCSVQZNL-UHFFFAOYSA-N 340.452 2.976 30 40 EFEB Cc1cccc(N(CCC#N)C(=O)CS(=O)(=O)C2CCCC2)c1C 71896366 POGVTSQSZNYOFA-UHFFFAOYSA-N 348.468 2.908 30 40 EFEB CCO[C@@H](C)/C(O)=N/S(=O)(=O)c1ccc(F)cc1C(F)(F)F 71883915 XJDCSORQOCPJKG-ZETCQYMHSA-N 343.298 2.915 30 40 EFEB COc1cc(CN2CCOCC2)ccc1OCc1cccc(C#N)c1 95398043 LCTDOXBXVDCWCR-UHFFFAOYSA-N 338.407 2.978 30 40 EFEB Cc1csc(CN/C(=N\Cc2ccccc2)NC[C@@H]2CCCO2)n1 75583526 MTGUVINDBUNGEX-INIZCTEOSA-N 344.484 2.866 30 40 EFEB COCc1cc(C)n(Cc2cc3c(cc2Cl)OCO3)c(=O)c1C#N 408602240 BFGOBHCNKPLFTG-UHFFFAOYSA-N 346.770 2.605 30 40 EFEB C[C@@H](NC(=O)CC1(N2CCOCC2)CCCC1)c1cccc(C#N)c1 72542988 ZTDCZOVZBSWFOD-MRXNPFEDSA-N 341.455 2.771 30 40 EFEB Cc1ccc(S(=O)(=O)N(C)c2ccc(CC#N)cc2)cc1[N+](=O)[O-] 224779502 WGRIYWZGTMFHBR-UHFFFAOYSA-N 345.380 2.794 30 40 EFEB Cc1nc2n(n1)C[C@@H](N/C(O)=N/Cc1csc3ccccc13)CC2 328822495 QSVPIVNQRNZWNN-ZDUSSCGKSA-N 341.440 2.820 30 40 EFEB C=CCOc1ccc(NC(=O)C2(NC(=O)OC(C)(C)C)CC2)cn1 225927728 YACJWYUSRIMSFZ-UHFFFAOYSA-N 333.388 2.642 30 40 EFEB Cc1nccn1CCCCNC(=O)N[C@H](C)c1ccc(C#N)cc1 96434277 NDNOPIQLAAOTMI-CQSZACIVSA-N 325.416 2.904 30 40 EFEB Cc1ccc(S(=O)(=O)[C@@H]2[C@@H](c3cccc(F)c3)[C@@]2(C#N)C=O)cc1 242648975 RNWORIGFUVXEMI-KZNAEPCWSA-N 343.379 2.783 30 40 EFEB [CH]1SN=N[C@@H]1c1cc([C@@H]2C=[S+]N=N2)cc([C@@H]2C=S=NN2)c1 368027397 DTZJFWDXSKHIFR-SRVKXCTJSA-N 334.455 2.938 30 40 EFEB N#CC1(C#N)[C@@H](c2ccccn2)O[C@@]23CCCC[C@H]2[C@]1(C#N)C(=N)O3 4623857 OTQRLNCCPUJYEO-MJSCVDMRSA-N 333.351 2.590 30 40 EFEB COc1ccc(/C=N/OCC(=O)OCc2cc(Cl)ccn2)cc1 76017796 BKKVRNOWZLULOX-DJKKODMXSA-N 334.759 2.838 30 40 EFEB COc1ccc(/C=N/CCCNS(=O)(=O)c2ccc(C)cc2)cc1 102545620 YZZNEVZSLIMQBA-XMHGGMMESA-N 346.452 2.791 30 40 EFEB C#CCSc1nc2c(c(=O)[nH]1)[C@H](c1cccc(Cl)c1)CC(=O)N2 4944239 HWADASPIJRJFOV-NSHDSACASA-N 345.811 2.623 30 40 EFEB Cc1csc([C@@H](C#N)C(=O)CSc2nc(C(C)(C)C)n[nH]2)n1 23107620 RUOYRDNNTUVJHL-VIFPVBQESA-N 335.458 2.836 30 40 EFEB CC/N=C(/NCc1ccon1)N[C@H]1CCN(c2cccc(Cl)c2)C1 97021569 JRULZLXPRBUPNR-HNNXBMFYSA-N 347.850 2.662 30 40 EFEB COc1ccc2nc(NS(=O)(=O)c3cccc(C#N)c3)sc2c1 28577738 JPCBLJDZCACQEL-UHFFFAOYSA-N 345.405 2.977 30 40 EFEB Cc1nn(CCC#N)c(C)c1CCC(=O)N[C@@H](C)c1cccnc1 24050306 DUWBMQQEHFIHQM-ZDUSSCGKSA-N 325.416 2.619 30 40 EFEB C=CCn1nnn(CN(C)Cc2nc3ccccc3s2)c1=S 57085452 WZNZKAGVLBDMMS-UHFFFAOYSA-N 332.458 2.694 30 40 EFEB Cn1ccnc1COc1ccc(COC(=O)c2ccc(C#N)cn2)cc1 69777466 LPTOTNZLRDWIPL-UHFFFAOYSA-N 348.362 2.623 30 40 EFEB C=CCNC(=O)NC(=O)CSc1nc(C)c(C)n1C1CCCC1 5090107 WDJXFZAFTQKGAI-UHFFFAOYSA-N 336.461 2.719 30 40 EFEB COc1ccc(C2=Cc3cc(OC)c(OC)cc3S(=O)(=O)O2)cc1 4315464 NOCWFIGSVUYVJS-UHFFFAOYSA-N 348.376 2.929 30 40 EFEB Cc1ccc(CCC(=O)N2CCCN(c3ncccc3C#N)CC2)cc1 71823397 BBEKTJQNRJHHHH-UHFFFAOYSA-N 348.450 2.933 30 40 EFEB N#CC1(CS(=O)(=O)N(Cc2ccsc2)c2cccnc2)CC1 97144337 SIFUTFZDZCCKKC-UHFFFAOYSA-N 333.438 2.783 30 40 EFEB Cn1ccnc1C[C@@H]1CCCN(c2ccc([N+](=O)[O-])c(C#N)c2)C1 97145161 ICHZKAJTCYJPMZ-ZDUSSCGKSA-N 325.372 2.659 30 40 EFEB O=S(=O)(/N=C(\O)Cc1cccc(F)c1F)c1ccc(Cl)cn1 95460276 HZBQEFKQNGONEJ-UHFFFAOYSA-N 346.742 2.901 30 40 EFEB C=C[C@H](CC(=O)N1CCN(C(=O)c2cccnc2)CC1)c1ccccc1 95442624 YUGRFZNFPMKECM-QGZVFWFLSA-N 349.434 2.726 30 40 EFEB CN(C)C(=O)N1CCC(C(=O)Nc2cc(C#N)ccc2Cl)CC1 88227336 KLSQJJADXFEBFZ-UHFFFAOYSA-N 334.807 2.544 30 40 EFEB CN1C[C@@H](NC(=O)c2cccc(CC#N)c2)CC[C@@H]1C(F)(F)F 583620116 ZOHFIKODRRCHMJ-UONOGXRCSA-N 325.334 2.508 30 40 EFEB C=CCOc1ccccc1C(=O)N1CC[C@@H]([C@@H](F)C(=O)OCC)C1 585130066 GRVCCPHHYXLISH-CZUORRHYSA-N 335.375 2.615 30 40 EFEB C[C@H](NC(=O)CC1CCCCC1)C(=O)Nc1ccc(F)c(C#N)c1N 585128516 DJQXVBMVVDWUBM-NSHDSACASA-N 346.406 2.693 30 40 EFEB Cc1ccc(S(=O)(=O)[C@@H]2[C@H](c3cccc(Cl)c3)[C@]2(N)C#N)cc1 252517043 ZCRDMPIUWDAAEE-GVDBMIGSSA-N 346.839 2.809 30 40 EFEB COc1ccc(S(=O)(=O)/N=C2\C=C(C)C(=O)C=C2C(C)C)cc1 16779825 UURQZEILIJGCPU-FBMGVBCBSA-N 333.409 2.936 30 40 EFEB CCCOC1(NS(=O)(=O)c2ccccc2)C(C)=CC(=O)C=C1C 16807594 PAMVYYNILOAOPW-UHFFFAOYSA-N 335.425 2.563 30 40 EFEB O=C(C[C@@H]1S/C(=N/c2cccc(O)c2)NC1=O)Nc1ccccc1 5814071 AHZAMNLKDOSLFZ-AWEZNQCLSA-N 341.392 2.640 30 40 EFEB C=CC[N+]1(C[C@H](O)COc2cccc3ccccc23)CCOCC1 309670 ZZNWPGORMLZVBP-SFHVURJKSA-N 328.432 2.613 30 40 EFEB C[C@@H]1CN(C(=O)C2CCN(c3cccc(F)c3C#N)CC2)C[C@@H](C)O1 42103134 BVYFAFLIKJTUJT-ZIAGYGMSSA-N 345.418 2.550 30 40 EFEB CC(C)c1noc(CC/C(O)=N/S(=O)(=O)C2CCCCC2)n1 58075982 DMHOETYPXLLMRF-UHFFFAOYSA-N 329.422 2.745 30 40 EFEB COCC/N=C(/N)NCc1cn(-c2ccccc2)nc1-c1ccccc1 58111980 AMVDQLABHHUWDE-UHFFFAOYSA-N 349.438 2.590 30 40 EFEB N#Cc1cccc(NC(=O)N[C@H](Cc2ccccc2)[C@H](O)C(F)F)c1 58356348 GEVLYMZRCLLZJF-CVEARBPZSA-N 345.349 2.917 30 40 EFEB Cc1cccc(N=C[C@@H]2C(=O)NC(=O)N(c3ccccc3F)C2=O)c1 408527476 OGJYALKHEFGROT-CYBMUJFWSA-N 339.326 2.736 30 40 EFEB Cc1ccc(C)c(N2C(=O)c3ccc(C(=O)OCC#N)cc3C2=O)c1 3517290 ZJIMBSHPGJADGZ-UHFFFAOYSA-N 334.331 2.784 30 40 EFEB N#Cc1cccc(NC(=O)[C@@H]2CCCN2C(=O)OCC(F)(F)F)c1 65537888 URKNAXPGYNEPOA-LBPRGKRZSA-N 341.289 2.660 30 40 EFEB C=CCO[C@H](C)C(=O)N[C@@H](C(=O)OC)c1ccccc1C(F)(F)F 65575235 ASPPIHCQDMMKGI-ZWNOBZJWSA-N 345.317 2.627 30 40 EFEB C=CCn1c(O)c(C(=O)NCCc2ccccc2)c(=O)c2ccccc21 6492933 WHGWRFVJXSVWBN-UHFFFAOYSA-N 348.402 2.866 30 40 EFEB Cc1cccc(CCNC(=O)c2ccc(-n3ncc(C#N)c3N)cc2)c1 66241646 JCJYKGLAZMOABN-UHFFFAOYSA-N 345.406 2.607 30 40 EFEB C[C@@H](Oc1ccc(C#N)cc1)C(=O)OCc1ccc2c(c1)OCO2 15014373 SHJJJCIZOXYYOY-GFCCVEGCSA-N 325.320 2.798 30 40 EFEB N#CCCn1ncc2c(NCc3ccc(-c4ccn[nH]4)cc3)ncnc21 97199679 GURBTKDRKGYYJO-UHFFFAOYSA-N 344.382 2.742 30 40 EFEB N/C(Cc1ccccc1)=N\OC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 9425727 MOFYCXQKGBAVJL-UHFFFAOYSA-N 333.731 2.920 30 40 EFEB C=CCN1C(=O)COc2ccc(-c3nc(NC(C)=O)sc3C)cc21 19820205 QVNQQHGQMBUBIC-UHFFFAOYSA-N 343.408 2.988 30 40 EFEB CN(C)C(=O)[C@@H]1CC[C@@H](CNc2cc(C#N)ccc2C(F)(F)F)O1 97163665 ZAHCDGHUOYTQJE-FZMZJTMJSA-N 341.333 2.625 30 40 EFEB COc1ccc(C#N)cc1NC(=O)C[C@@](C)(C(=O)O)c1ccccc1 71846861 OEDYVSNVEAPBOR-LJQANCHMSA-N 338.363 2.938 30 40 EFEB CN(CC(=O)[C@H](C#N)c1nc2ccccc2[nH]1)C(=O)OC(C)(C)C 84199810 UNMZMSKCFYYKLI-NSHDSACASA-N 328.372 2.606 30 40 EFEB Cc1oc(-n2cccc2)c(C#N)c1C(=O)Nc1ccc(N(C)C)nc1 22419774 GQBRMFKQHKEHCC-UHFFFAOYSA-N 335.367 2.964 30 40 EFEB C[C@H](NC(=O)c1ccc(C#N)cn1)c1ccc(-c2cncnc2)cc1 73251887 DXZGNRYHWWJORW-ZDUSSCGKSA-N 329.363 2.901 30 40 EFEB C=CCNC(=O)[C@H]1CCCN(c2ncnc3c2oc2ccccc23)C1 33290474 RUJDPWIUVLNEBH-ZDUSSCGKSA-N 336.395 2.895 30 40 EFEB COc1ccc(S(=O)(=O)/N=C(\O)c2sccc2C)cc1OC 61110609 SYVHSUHDRKFFHF-UHFFFAOYSA-N 341.410 2.767 30 40 EFEB C[C@H](CN1CCCCC1)/N=C(/O)Nc1cn(C)nc1C(F)(F)F 331312975 BDDYWDQBKFEFMH-SNVBAGLBSA-N 333.358 2.639 30 40 EFEB CC[C@H](NS(=O)(=O)c1cccc(F)c1C#N)c1nc(C)cs1 96483427 VVHFRIMAHTVIOO-LBPRGKRZSA-N 339.417 2.892 30 40 EFEB Cc1cc(C#N)ccc1S(=O)(=O)Nc1ccc(N2CCCC2)cn1 96420418 HFXCOPCMFZMZST-UHFFFAOYSA-N 342.424 2.663 30 40 EFEB C#CCCCCC(=O)Nc1ccc(C(=O)N=[S@@](C)(=O)N(C)C)cc1 585125828 GYCDAZIKDOVWJW-XMMPIXPASA-N 349.456 2.533 30 40 EFEB CCNC(=O)COc1ccc(/C=C2/COc3ccccc3C2=O)cc1 585139845 FNWUKAQVNANQSO-PTNGSMBKSA-N 337.375 2.860 30 40 EFEB Cc1sc(NC(=O)[C@@H]2Cc3ccccc3C(=O)O2)c(C#N)c1C 57498262 BITNWLSIUJEMLM-AWEZNQCLSA-N 326.377 2.957 30 40 EFEB C[C@@H]1CCc2c(sc(NC(=O)CCN3CCO[C@H](C)C3)c2C#N)C1 40025026 NJWLCCXXBYHDFT-CHWSQXEVSA-N 347.484 2.794 30 40 EFEB CC(=O)NC[C@@H]1CCCN(c2ccc(Br)cc2C#N)C1 97083833 VCLQLSZVMWMLKK-LBPRGKRZSA-N 336.233 2.673 30 40 EFEB C=CCSCC(=O)NC1CCN(C(=O)Nc2ccccc2)CC1 56321503 PGGIXDVWTKCUFS-UHFFFAOYSA-N 333.457 2.718 30 40 EFEB C=CCO[C@@H]1[C@H]2CC[C@H]1N(CCc1ccc(OC)c(OC)c1)CCO2 105977357 UTPPLAAGLGTTTO-POAQFYNOSA-N 347.455 2.681 30 40 EFEB C#CCNC(=O)CSc1nnc(-c2ccccc2)n1[C@H](C)CC 58201482 YKZJBUZQGYDLRS-CYBMUJFWSA-N 328.441 2.758 30 40 EFEB O=C(COc1ccc(Br)cc1)NCC#Cc1ccccc1 22356777 REZZWOMMZJMJTG-UHFFFAOYSA-N 344.208 2.996 30 40 EFEB N#Cc1cccc(NC(=O)CSc2nncn2Cc2ccco2)c1 14075891 GIPZBCGNAKSKER-UHFFFAOYSA-N 339.380 2.522 30 40 EFEB C=CCn1cnnc1S[C@H](C)C(=O)NCc1ccc(Cl)cc1 14249660 QGVXTNOPMWYPEV-LLVKDONJSA-N 336.848 2.915 30 40 EFEB C[C@H](Oc1ccc(C#N)cc1)C(=O)NCc1ccccc1CN(C)C 6993007 BQEMGDOYIQHQES-HNNXBMFYSA-N 337.423 2.704 30 40 EFEB C[C@H](Oc1cccc(C#N)c1)C(=O)c1ccc(NS(C)(=O)=O)cc1 7025877 YYECHUXBQDNKAZ-LBPRGKRZSA-N 344.392 2.580 30 40 EFEB C=CCN(c1ccccc1)S(=O)(=O)c1ccc2c(c1)OCCO2 9155037 IUKWEKFRAUKULO-UHFFFAOYSA-N 331.393 2.839 30 40 EFEB C=C(C)COc1cccc(NC(=O)C(=O)NCc2cccc(C#N)c2)c1 67496609 MOGKPJIUIRZJKS-UHFFFAOYSA-N 349.390 2.768 30 40 EFEB Cc1ccc(N2C(=O)NC(=O)[C@H](C=Nc3cccc(C)c3)C2=O)cc1 408526592 FGHQVYGCWBXTCM-INIZCTEOSA-N 335.363 2.905 30 40 EFEB CC(C)(O)C#Cc1ccc(-c2nccn2CCc2c[nH]cn2)s1 67908762 NEUBRSILBUYLSZ-UHFFFAOYSA-N 326.425 2.700 30 40 EFEB N#Cc1ccc(CCC(=O)N[C@@H]2CCN(Cc3ccsc3)C2)cc1 675008263 MTTSLWZSTZGCNI-GOSISDBHSA-N 339.464 2.943 30 40 EFEB N#CCCCS(=O)(=O)N[C@@H]1CCCN(c2ccccc2Cl)C1 96428236 SFYPYGJDLMVSGX-CYBMUJFWSA-N 341.864 2.532 30 40 EFEB C[C@H]1CN(CCC(=O)Nc2sc3c(c2C#N)CCC3)C[C@@H](C)O1 12822180 PHBFAWDJEMWJQK-TXEJJXNPSA-N 333.457 2.546 30 40 EFEB C[C@@]1(C(F)(F)F)C[C@@](O)(C(F)(F)F)C[C@@](O)(C(F)(F)F)O1 169526939 ZHZPKMZKYBQGKG-ZLUOBGJFSA-N 336.150 2.662 30 40 EFEB N#Cc1cc(Br)cnc1N1CC(COc2cccnc2)C1 1889096035 LDXXWQGDUBHOJG-UHFFFAOYSA-N 345.200 2.626 30 40 EFEB COc1ccc(Cl)cc1NC(=O)CO/N=C(\N)c1cccs1 50512902 JFLNQNMSYMZCCN-UHFFFAOYSA-N 339.804 2.686 30 40 EFEB CCc1nc(C)c(C(=O)NCCNc2cccc(F)c2C#N)s1 50584280 DIILEROFMARWSK-UHFFFAOYSA-N 332.404 2.867 30 40 EFEB C/C(=N\NC(=S)NC1CCCC1)c1ccc(N2CCOCC2)cc1 8158832 KCMAIYFAICQPKC-XSFVSMFZSA-N 346.500 2.654 30 40 EFEB C=CCOc1ccc(/C=C2\SC(=S)N(CCC(=O)O)C2=O)cc1 1835894 AEZGVSCOIZTTBC-RAXLEYEMSA-N 349.433 2.927 30 40 EFEB Cc1ccccc1C(C)(C)CNC(=O)C(=O)N(C)c1cccc(C#N)c1 71185528 CSNQSFNDGXBEBQ-UHFFFAOYSA-N 349.434 2.924 30 40 EFEB COc1ccc(C(=O)[C@]2(C)N(O)[C@@H](C)C(c3ccccc3)=[N+]2[O-])cc1 7813395 PKIIXIJXLRUQSM-ORAYPTAESA-N 340.379 2.687 30 40 EFEB C=CCn1ncc(CN2[C@@H]3CC[C@@H]2c2cnc4cc(C)nn4c2C3)c1C 100141092 XFQKICOBUAJGBL-SJLPKXTDSA-N 348.454 2.990 30 40 EFEB N#C[C@H](C(=O)NC1CCCCC1)C(=O)c1ccc(Br)o1 102764006 RFZORLPJKZDCBO-JTQLQIEISA-N 339.189 2.813 30 40 EFEB N#C[C@H](C(=O)/C=C/c1cccc2ccccc12)C(=O)NC[C@@H]1CCCO1 103502358 BZJUYIBJWMJIFM-VMSVZYTISA-N 348.402 2.857 30 40 EFEB COc1ccc(C(=O)/C(=C/NC(N)=S)c2ccc(OC)cc2)cc1 103638614 JFMHDGNUKYHVKN-LFIBNONCSA-N 342.420 2.761 30 40 EFEB O=C(CC1CCCC1)Nc1cccc(S(=O)(=O)/N=C2/CCCN2)c1 34868079 YXSVWDVJKKHHCV-UHFFFAOYSA-N 349.456 2.676 30 40 EFEB Cn1c(N/N=C/c2cc3c(cc2[N+](=O)[O-])OCO3)nc2ccccc21 52412180 FNJIRJFDYSDSKF-CAOOACKPSA-N 339.311 2.656 30 40 EFEB COc1cc([C@H](C)NC(=O)N2CCC(C#N)CC2)cc(OC)c1OC 57991668 SHPMSGJOCHPVLW-LBPRGKRZSA-N 347.415 2.719 30 40 EFEB CC/N=C(/NCC)NC[C@H](c1ccc(OC)cc1)N1CCCCC1 58193456 VNJPZCAJUSCFOF-GOSISDBHSA-N 332.492 2.797 30 40 EFEB N#Cc1cccc(C(=O)OCC(=O)NCc2cccc(Cl)c2)c1 5012617 NXVUSXZKVGVWRL-UHFFFAOYSA-N 328.755 2.685 30 40 EFEB CC1CCN(C(=O)c2ccc(NC(=O)CSCC#N)cc2)CC1 69521186 VJIJJESGDKIZIB-UHFFFAOYSA-N 331.441 2.754 30 40 EFEB C=CCN(C(=O)c1cccc2ccccc12)[C@@H]1CCS(=O)(=O)C1 69737747 WIEJUKCMNKEECN-OAHLLOKOSA-N 329.421 2.655 30 40 EFEB N#CCn1cc(C(=O)N2CCC[C@@H]2Cn2cccn2)c2ccccc21 72233927 YXRBGVAJWHFGMN-OAHLLOKOSA-N 333.395 2.666 30 40 EFEB C#Cc1cccc(N(Cc2ccco2)C(=O)COC[C@@H]2CCCO2)c1 72282006 ODGYIGQSHNEQMB-IBGZPJMESA-N 339.391 2.990 30 40 EFEB CC/N=C(/NCC(=O)Nc1ccccc1CC)NCc1ccco1 83827758 QQCOFGSLTMSKDZ-UHFFFAOYSA-N 328.416 2.536 30 40 EFEB Cc1ccc(C#N)cc1S(=O)(=O)N(C)[C@H](CCO)c1ccccc1 95433278 UUXHKXRDNMXRAN-QGZVFWFLSA-N 344.436 2.611 30 40 EFEB CN(Cc1ncc(C(C)(C)C)o1)S(=O)(=O)c1cccc(C#N)c1 95414751 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IRCLIVCYAOXAQY-UHFFFAOYSA-N 340.452 2.686 30 40 EFEB CCn1cc(C2CCN(CC(=O)Nc3sccc3C#N)CC2)cn1 65465949 CICYQJFPAWVBHZ-UHFFFAOYSA-N 343.456 2.654 30 40 EFEB N#CC1(NC(=O)CSc2nc3cc(Cl)c[nH]c-3n2)CCCCC1 6582659 HFMTTWVARKHVCI-UHFFFAOYSA-N 349.847 2.998 30 40 EFEB N#Cc1cccc(CN2C(=O)N[C@@]3(CCCc4ccccc43)C2=O)c1 8727489 XGURWADXPBHZJS-HXUWFJFHSA-N 331.375 2.842 30 40 EFEB C=CCN(CC(F)(F)F)C(=O)c1ccc(-n2ncc(C#N)c2N)cc1 66241162 KGTPBAZHRVGIJX-UHFFFAOYSA-N 349.316 2.517 30 40 EFEB COC(=O)c1sc(NC(=S)NC(=O)C(C)(C)C)c(C#N)c1C 21596383 TVBUWTFSYCFHEZ-UHFFFAOYSA-N 339.442 2.574 30 40 EFEB CC(=O)N1CC[C@H](NCc2cccc(OCCCC#N)c2)[C@H](C)C1 89937568 OOEVSGOUOVRPFU-BEFAXECRSA-N 329.444 2.716 30 40 EFEB COc1ccc(C)cc1CN1CCN(C(=O)c2ccc(C#N)cc2)CC1 23717420 UAHGHNCGITZEQA-UHFFFAOYSA-N 349.434 2.833 30 40 EFEB C=CCN1CCN[C@@H](Cc2ccc(-c3cccc(OC)c3)cc2)C1=O 72352850 OPATZDLPQRVXHB-FQEVSTJZSA-N 336.435 2.891 30 40 EFEB N#Cc1c(F)cccc1N1CCN(C(=O)COC2CCCCC2)CC1 48332768 WJZZCYAVPKCRQK-UHFFFAOYSA-N 345.418 2.695 30 40 EFEB CC(=O)Nc1ccc(C/C(N)=N/OC(=O)c2ccc(C)cc2)cc1 226102656 YJUNYJYMFBSOPT-UHFFFAOYSA-N 325.368 2.625 30 40 EFEB COc1ccc(Br)cc1CCC(=O)NC[C@H](C)C#N 96417035 VDYHCADIIIAMFD-SNVBAGLBSA-N 325.206 2.666 30 40 EFEB N#Cc1ccc(F)c(COc2nc(C(F)(F)F)ccc2C(N)=O)c1 1615612125 AOGQZOGRGFYGAX-UHFFFAOYSA-N 339.248 2.789 30 40 EFEB C#CCCCNC(=O)N1CCC[C@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]21 1616034790 NSXICKNZTCUWRJ-HOTGVXAUSA-N 349.475 2.831 30 40 EFEB C=CCNC(=O)c1cc2nc(-c3ccco3)cc(C(F)(F)F)n2n1 5043521 JCPMVLOPXZYNPU-UHFFFAOYSA-N 336.273 2.924 30 40 EFEB CC(NCCc1nc2ccccc2[nH]1)=C1C(=O)CC(C)(C)CC1=O 100168070 IIDBKSJNFDCJIX-UHFFFAOYSA-N 325.412 2.927 30 40 EFEB Cc1cc(C)c2cc(C#N)c(SCC(=O)N3CCOCC3)nc2c1 412224 WLDFFEXOKJAENZ-UHFFFAOYSA-N 341.436 2.674 30 40 EFEB COCCN1C(=O)C(=O)/C(=C(\C)O)[C@@H]1c1ccc(Cl)cc1Cl 102797653 OZZPHRIXOVQYND-RPHSKFLZSA-N 344.194 2.924 30 40 EFEB Cc1[nH]c(=O)c(C#N)c(C)c1CSCC(=O)Nc1ccccc1 9703991 STRDBYJEHBRLHY-UHFFFAOYSA-N 327.409 2.735 30 40 EFEB C=CCNC(=O)CN1CCC(CCc2cc(OC)cc(OC)c2)CC1 10027391 VLFZUNKFKBKHJI-UHFFFAOYSA-N 346.471 2.651 30 40 EFEB C=CCN(CCc1ccccc1)C(=O)c1csc(NC(C)=O)n1 58325630 MQCCYDLDEWRFJC-UHFFFAOYSA-N 329.425 2.972 30 40 EFEB Cc1sc2ncn(CC(=O)Nc3cccc(C#N)c3)c(=O)c2c1C 6110743 ASLMPKQPCOWFAH-UHFFFAOYSA-N 338.392 2.585 30 40 EFEB O=S(=O)(OCC(F)(F)C(F)F)c1cc(F)c(F)cc1F 65626868 NUCRBGNDDODFSE-UHFFFAOYSA-N 326.189 2.710 30 40 EFEB COc1cc([C@@H](C)NCc2ccc(C#N)cc2)ccc1OCCO 65933106 HPVGRZXOFQNPFN-CQSZACIVSA-N 326.396 2.789 30 40 EFEB Cc1cc(C)n(CC(=O)c2ccc(Br)cc2)c(=O)c1C#N 5557491 TXNPSPGFEFUFHZ-UHFFFAOYSA-N 345.196 2.982 30 40 EFEB C#CCOc1ccc(N(C)C(=O)c2ccccc2Cn2cncn2)cc1 80126112 JFRCIHYIEVBJJY-UHFFFAOYSA-N 346.390 2.615 30 40 EFEB O=C1C[C@@H](c2ccco2)CC2=C1[C@H](c1ccc(O)cc1)n1ncnc1N2 19959865 IMIKMFTYEGJOOP-SGTLLEGYSA-N 348.362 2.992 30 40 EFEB Cc1noc(-c2cccnc2NCCOc2ccc(CC#N)cc2)n1 95403239 ONJSFVUVHYZLQX-UHFFFAOYSA-N 335.367 2.997 30 40 EFEB N#Cc1nc(N2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)ccc1Cl 95433691 UPSMTJPCXRNFQH-SNVBAGLBSA-N 344.762 2.601 30 40 EFEB C[C@H](CC#N)N(C)C(=O)c1cc(=O)[nH]c2ccc(Br)cc12 75143278 VQCSTVVBSGVZGF-SECBINFHSA-N 348.200 2.665 30 40 EFEB Cc1ccccc1N1C(=O)NC(=O)[C@H](C=Nc2ccc(F)cc2)C1=O 408528228 UOHNYWGPXFGQOH-AWEZNQCLSA-N 339.326 2.736 30 40 EFEB Cc1cccc(/N=C/[C@@H]2C(=O)NC(=S)N(c3ccccc3)C2=O)c1 408742324 WAPZEDWUKTYXLM-SKCQWOFPSA-N 337.404 2.761 30 40 EFEB CCCCCCCNC(=O)C(=O)Nc1ccccc1C(=O)NC1CC1 408708736 LUNFIODSNLGVGA-UHFFFAOYSA-N 345.443 2.604 30 40 EFEB CCN(CC)c1ccc(/C=N/N2C(=O)[C@@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)cc1 408718910 BIPBMNLOIRXGKS-YDRNIYSNSA-N 337.423 2.674 30 40 EFEB C[C@@H](NC1(CNc2nccnc2C#N)CCOCC1)c1ccccc1 79097156 JMCLALGUCJFAPF-OAHLLOKOSA-N 337.427 2.660 30 40 EFEB N#Cc1cccc(CNC(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)c1 96461511 ZKXIKFBEQJLIKS-UHFFFAOYSA-N 336.351 2.734 30 40 EFEB CC[C@H]1CN([C@@H](CC)C(O)=Nc2ccc(-n3ccnc3)nc2)CCO1 330031565 AIOKHNUPCUGNDN-HOTGVXAUSA-N 343.431 2.745 30 40 EFEB N#CCS(=O)(=O)NCC1(c2cccc(C(F)(F)F)c2)CCC1 95439746 MGRAZWBLTWXSRC-UHFFFAOYSA-N 332.347 2.570 30 40 EFEB CSc1nsc(N/N=C/c2ccn(CC(F)(F)F)n2)c1C#N 252485448 GVUUWBRRJCBGRE-FZSIALSZSA-N 346.363 2.941 30 40 EFEB Cc1c(OCC(=O)N(CC#N)c2ccccc2)cccc1[N+](=O)[O-] 48374121 OEONEFSTBNBQHK-UHFFFAOYSA-N 325.324 2.839 30 40 EFEB C/C(=N\NS(=O)(=O)Cc1ccccc1)c1cc(Cl)ccc1O 5725403 LYUYMUKIJZLSNK-GZTJUZNOSA-N 338.816 2.889 30 40 EFEB CSc1nc(N)nc(SCc2nc3ccccc3[nH]2)c1C#N 5611270 XPVMJFHQSHQJFB-UHFFFAOYSA-N 328.426 2.821 30 40 EFEB CC(C)C(=O)Nc1ccc(NS(=O)(=O)c2ccc(C#N)cc2)cc1 16122082 RDJONFWUVKBPQM-UHFFFAOYSA-N 343.408 2.954 30 40 EFEB O=C(C[C@@H]1S/C(=N\C2CCCC2)NC1=O)Nc1ccccc1F 2665161 UFRUGQGPTFGEAK-ZDUSSCGKSA-N 335.404 2.685 30 40 EFEB C[C@H](C(=O)Nc1cccc(C#N)c1)N1CCN(Cc2ccccc2)CC1 21822263 KYXXOABMPHIYGD-QGZVFWFLSA-N 348.450 2.703 30 40 EFEB C=CCNCc1ccc(-c2cc(C(=O)OC)cc(C(=O)OC)c2)o1 7540634 IOQWIBWQUKLVOC-UHFFFAOYSA-N 329.352 2.795 30 40 EFEB N#Cc1nccnc1N1CCO[C@@H](c2ccccc2C(F)(F)F)C1 97081355 YMTRQSTZQYIOPN-CQSZACIVSA-N 334.301 2.945 30 40 EFEB CC[C@H](C)NC(=O)CNc1ccc(OCC(F)(F)F)c(C#N)c1 55849719 XGHYDSIJQGTEDR-JTQLQIEISA-N 329.322 2.826 30 40 EFEB CC(C)CCNc1nc(N2CCCC2)c2c(c1C#N)CCN(C)C2 13115547 RGMLPLCSNQEKLO-UHFFFAOYSA-N 327.476 2.999 30 40 EFEB COCCN1C(=O)C(O)=C(C(=O)c2ccco2)[C@@H]1c1ccc(C)cc1 6813222 MTSAVXLCITXXCR-INIZCTEOSA-N 341.363 2.813 30 40 EFEB COc1ccc(OC)c(/C=N/Nc2nn3cnnc3c3ccccc23)c1 16945128 AXQTVYMTRDKFAC-VXLYETTFSA-N 348.366 2.741 30 40 EFEB C=CCSc1nnc(NC(=O)c2ccc(C(=O)OC)cc2)s1 9592260 NFVDJPQEWREXRH-UHFFFAOYSA-N 335.410 2.855 30 40 EFEB Cc1nc(NC(=O)c2ccnc(Cl)c2)n(-c2ccc(C#N)cc2)n1 75144251 FPGFMBCOMZABMG-UHFFFAOYSA-N 338.758 2.748 30 40 EFEB N#Cc1cccc(NC(=O)C(=O)N2CC[C@H](c3cccc(F)c3)C2)c1 75128391 LWZGDYBHLHKSPO-HNNXBMFYSA-N 337.354 2.652 30 40 EFEB Cc1ccc(/N=C/[C@H]2C(=O)NC(=S)N(c3ccccc3)C2=O)cc1 408742219 VHVSSZYOCNLUOM-BKQORJHRSA-N 337.404 2.761 30 40 EFEB N#Cc1cc(F)c(N2CCC[C@@H]2C(=O)NCc2ccco2)c(F)c1 134902241 XIBNTFLVBFBNFK-OAHLLOKOSA-N 331.322 2.715 30 40 EFEB C/N=C(\NCc1nc(C)no1)NCC(c1ccccc1)c1ccccc1 96406305 CHSOAYQHQUTWRF-UHFFFAOYSA-N 349.438 2.875 30 40 EFEB C#CCCCCCC(=O)Nc1cc(N2CCOCC2)ccc1[N+](=O)[O-] 585125790 FWKWXBPAJOYAFX-UHFFFAOYSA-N 345.399 2.954 30 40 EFEB N#Cc1cccc(C(=O)N[C@H]2CC[C@H](Oc3ncc(F)cn3)CC2)c1 252570647 XBNVPQPSOZHMCD-WKILWMFISA-N 340.358 2.607 30 40 EFEB N#C[C@@H]1CCC[C@@H]1NC(=O)c1nn(-c2cccc(Cl)c2)cc1O 597338415 HKOYOVMNFGWHST-GWCFXTLKSA-N 330.775 2.653 30 40 EFEB CN(Cc1ccc(C(=O)NCC(F)(F)F)cc1)c1ccc(C#N)cn1 12939649 OQYRYCOEIUFCQT-UHFFFAOYSA-N 348.328 2.882 30 40 EFEB CN(Cc1ccc(Cl)cc1Cl)C1CN(c2nccnc2C#N)C1 1776007821 GKWJOPFZIQMEPU-UHFFFAOYSA-N 348.237 2.976 30 40 EFEB O=C1[C@H]2[C@@H]3C=C[C@H]([C@H]2C(=O)N1/N=C/c1ccccc1Cl)C31CC1 1436488 RWKOTIBHCJTIHZ-YJOVKDKQSA-N 326.783 2.871 30 40 EFEB C=C(C)CSc1nnc(-c2cc(-c3ccc(OC)cc3)n[nH]2)n1N 9012065 WUTOAJSLEMCMHI-UHFFFAOYSA-N 342.428 2.726 30 40 EFEB C[C@H](OC[C@@H]1CCCCO1)/C(O)=N/S(=O)(=O)C1CCCCC1 58080486 ZRALEIHEZHMKNP-STQMWFEESA-N 333.450 2.580 30 40 EFEB N#Cc1ccc(CN2CCCN(C(=O)CCc3ccncc3)CC2)cc1 45013973 MWTFPLUSBWWNPI-UHFFFAOYSA-N 348.450 2.620 30 40 EFEB N#Cc1ccc(C(=O)NCc2cccnc2OCC(F)(F)F)cc1 36390937 ZHQNHDNULANDCA-UHFFFAOYSA-N 335.285 2.824 30 40 EFEB Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N[C@H](C)CCc1ccco1 12946542 CGJDHLDZGLSCPN-GFCCVEGCSA-N 341.411 2.527 30 40 EFEB Cc1ccccc1S(=O)(=O)/N=C(\O)[C@H](C)OC[C@H]1CCCCO1 64099463 QUXVVRDIYRUYEO-UONOGXRCSA-N 341.429 2.614 30 40 EFEB C=CCN1C(=O)/C(=C\c2ccncc2)C(=O)N(c2ccccc2)C1=S 408729680 HYVLHRRXKVVSEJ-DTQAZKPQSA-N 349.415 2.811 30 40 EFEB O=[N+]([O-])c1ccc(/C(C[C@H](O)C(Cl)(Cl)Cl)=N\O)cc1 5731071 OBKJLNDMUVMBKH-JNNKLVPLSA-N 327.551 2.894 30 40 EFEB N#CCCCOc1cccc(CNCc2cccnc2-n2cncn2)c1 71855404 XLCJSZPVHLAFAC-UHFFFAOYSA-N 348.410 2.635 30 40 EFEB Cc1ccc(-c2n[nH]c(NS(=O)(=O)c3ccc(C#N)cc3)c2C)o1 95429690 AJVAJDGLWWDSCU-UHFFFAOYSA-N 342.380 2.959 30 40 EFEB CN(C)C(=O)[C@@H](Cc1ccccc1)Nc1ccc([N+](=O)[O-])cc1C#N 95975484 MOZLKHZGRZJNDS-QGZVFWFLSA-N 338.367 2.578 30 40 EFEB N#Cc1ccc(N2CCN(Cc3cccs3)CC2)c([N+](=O)[O-])c1 25372593 NLKIHORXKIGQLQ-UHFFFAOYSA-N 328.397 2.850 30 40 EFEB CC/N=C(/NCc1c(C)noc1C)N(C)Cc1cn(C)nc1C(C)C 97229964 SUTCALGGKUPLNW-UHFFFAOYSA-N 346.479 2.746 30 40 EFEB N#C[C@@H](c1c(F)cccc1Cl)N1CCC[C@H](N2CCNC2=O)C1 96443286 ZUKZGPQEDHQONG-FZMZJTMJSA-N 336.798 2.533 30 40 EFEB C=CCO[C@H](C)C(=O)Nc1ccc(N2CCC(CN(C)C)CC2)cc1 96413973 BHGORJAIPIHLMX-MRXNPFEDSA-N 345.487 2.994 30 40 EFEB C[C@H]1Oc2c(cccc2C(=O)[C@@H](C#N)c2nc3ccccc3[nH]2)NC1=O 390834637 JVCRYSNRRIQKKK-ZYHUDNBSSA-N 346.346 2.772 30 40 EFEB CC(=O)[C@]12O[C@@H]1C[C@@H]1[C@H]3CCC4=CC(=O)CC[C@@]4(C)[C@@H]3[C@@H](O)C[C@]12C 584578787 XPOFTPYDSZJRKX-KGMNEAJASA-N 344.451 2.826 30 40 EFEB C=C1CC(C)(C(=O)Nc2ccc(C)c(N3CCCS3(=O)=O)c2)C1 585131657 CALYKTRYUGRLFP-UHFFFAOYSA-N 334.441 2.830 30 40 EFEB Cc1cc(O[C@@H]2CCCN(C(=O)c3ccc(C#N)cc3)C2)nc(C)n1 575605420 PJBMBDNBCKUNRC-QGZVFWFLSA-N 336.395 2.649 30 40 EFEB O=C(O)COc1ccc(C(=O)/C=C/c2ccc(C(=O)O)cc2)cc1 4215343 HXSSCTOWBWPFEV-XCVCLJGOSA-N 326.304 2.744 30 40 EFEB in-man CC(C)OCCCNC(=O)[C@H](C#N)C(=O)C[C@@H](C)c1ccccc1F 100705836 UDQQDRBVPQQGJD-GDBMZVCRSA-N 348.418 2.959 30 40 EFEB Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N(C)[C@@H](C)C(C)C 31715314 ILABQEGMVCCZQF-ZDUSSCGKSA-N 327.432 2.653 30 40 EFEB CCOC(=O)C1=C(N)OC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccco1 333601 SFQVTUOMCALBRI-CQSZACIVSA-N 331.368 2.770 30 40 EFEB C=CCSc1nc2c(c(=O)[nH]1)[C@@H](c1cccc(F)c1)CC(=O)N2 4944426 NTYVAXAXRGRUDF-LLVKDONJSA-N 331.372 2.661 30 40 EFEB C[C@@H](Oc1ccc(C#N)cc1)C(=O)N1CCC(N2CCCCC2)CC1 58213564 JXBGNUXMALFZQW-MRXNPFEDSA-N 341.455 2.802 30 40 EFEB CCc1ccc(N2CC(=O)C(c3nc4ccccc4n3C)=C2N)cc1 4370224 XKPVTSHWOPQYPR-UHFFFAOYSA-N 332.407 2.852 30 40 EFEB C[C@H]1C(=O)N(C[C@@H](C#N)CCC#N)C(=O)N1c1ccc(Cl)cc1 15238703 FTRHHENFUQXUCY-NWDGAFQWSA-N 330.775 2.941 30 40 EFEB Cn1ccnc1C(=O)[C@H](C#N)C(=O)c1ccc(OC(F)(F)F)cc1 119508576 WEAVLYHOCSPEKS-LLVKDONJSA-N 337.257 2.524 30 40 EFEB N#Cc1ccc(OC[C@@H](O)COc2cccc(-n3ccnc3)c2)cc1 95439108 ZNCHMZQATLRYSA-QGZVFWFLSA-N 335.363 2.563 30 40 EFEB C/N=C(/NCCC1=CCOCC1)N[C@H]1C[C@@H](C)N(c2ccccc2)C1 96484220 KNSNUABLUXWLPB-AEFFLSMTSA-N 342.487 2.556 30 40 EFEB N#CCCCOc1cccnc1NC(=O)N[C@@H]1[C@H]2[C@H]3CC[C@@H](C3)[C@H]21 248889257 YHVYSJZPQQAHBY-RHMLRGBNSA-N 326.400 2.930 30 40 EFEB Cn1nccc1[C@@H]1OCCC[C@H]1CN=c1c(C#N)c[nH]c2ccccc12 596506157 PYEJVFGOBYJWPQ-VBKZILBWSA-N 347.422 2.842 30 40 EFEB Cc1cc(C)n(-c2nnc(C)n2/N=C/c2cc(Cl)ccc2O)n1 86517 FTCYPBDAKVZVBM-CAOOACKPSA-N 330.779 2.630 30 40 EFEB CCc1nc2n(n1)CCC[C@@H]2NC(=O)N[C@H](C)c1cccc(C#N)c1 79069743 RSWJXTATLMTOMR-DOMZBBRYSA-N 338.415 2.607 30 40 EFEB O=C(Cn1ccccc1=O)Nc1cccc(C#Cc2cccs2)c1 32907506 YTIBEQASSDYTPT-UHFFFAOYSA-N 334.400 2.948 30 40 EFEB CC(=O)N1CCc2cc(N[C@@H](C)C(=O)Nc3ccccc3C#N)ccc21 12561961 ZQYJDULQUVAGHS-ZDUSSCGKSA-N 348.406 2.906 30 40 EFEB C[C@H]1C[C@H]1/C(O)=N/S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F 58421354 OFCBODRJXMPBHQ-IONNQARKSA-N 332.303 2.878 30 40 EFEB Cc1nc(C(=O)NCc2ccc(C#N)cc2)nn1-c1ccc(F)cc1 45225938 FWMRGOINJMXUJD-UHFFFAOYSA-N 335.342 2.517 30 40 EFEB C[C@@H](NC(=O)CC1CCCCC1)C(=O)N[C@H](C#N)c1ccsc1 71847765 ACWIJQKPKIJCGN-IUODEOHRSA-N 333.457 2.904 30 40 EFEB Cc1cc(C(=O)Cn2cnc(C#N)n2)c(C)n1-c1ccc2c(c1)CCC2 14144033 XKTKRPUWWBDVPD-UHFFFAOYSA-N 345.406 2.929 30 40 EFEB CCn1cnnc1CCNc1cc(C)c(C#N)c2nc3ccccc3n12 71911583 SSPGCOYPZFSRHA-UHFFFAOYSA-N 345.410 2.934 30 40 EFEB C/C(=N\N=C1\NC(=O)[C@@H](CC(=O)O)S1)c1cccc2ccccc12 33694613 ISVQXUMXQXUPCL-LEBHLANCSA-N 341.392 2.626 30 40 EFEB CCC[C@H](C)C1(CC)C(=O)NC(=Nc2ccccc2OC)NC1=O 344760 PLOQXXAFFUDKTF-LBPRGKRZSA-N 331.416 2.761 30 40 EFEB biogenic C=CCc1cc(/C=C2\SC(=O)N(C)C2=O)cc(OC)c1OCC#N 408818943 PNUXALYZJZPCNU-UVTDQMKNSA-N 344.392 2.992 30 40 EFEB CCC[C@H]1O[C@H](CC(=O)O)CC2=C1C(=O)c1c(O)cccc1C2=O 15217873 XWXZEYLPRXYHQC-TVQRCGJNSA-N 330.336 2.500 30 40 EFEB biogenic,in-vitro CCOC[C@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2C#N)C1 96428015 MUESUFUHZQGCMK-LBPRGKRZSA-N 342.848 2.649 30 40 EFEB COc1cccc(C#N)c1NC(=O)[C@H]1CCN(C(=O)OC(C)(C)C)C1 585124564 HXLFFVGPSZQOJR-ZDUSSCGKSA-N 345.399 2.762 30 40 EFEB N#Cc1ccc(CCC(=O)N2CCCN(c3nccs3)CC2)cc1 65492277 JWAPVQPSXLDGNZ-UHFFFAOYSA-N 340.452 2.686 30 40 EFEB COC(=O)[C@H](C)[C@H](NC(=O)c1sccc1C#N)c1ccccc1 79634710 HAPJREOZEHEIFA-RISCZKNCSA-N 328.393 2.900 30 40 EFEB C=C(C)C[C@@H]1N(c2ccccc2C)C(=O)[C@@H]2[C@@H](C(=O)O)[C@H]3C=C[C@@]12O3 5341902 INFSPPRSFZBLBY-ZPFYTHJMSA-N 339.391 2.701 30 40 EFEB C=CCN1c2cccnc2-n2cccc2[C@]12CCN(C(=O)[C@H]1C[C@@H]1C)C2 2056226247 NVEHLXAOOHBLSV-CKJXQJPGSA-N 348.450 2.962 30 40 EFEB C[C@H](NC(=O)CN1C(=O)CCOc2ccccc21)c1ccc(C#N)cc1 31434850 CWAPQYAKVJYRHM-AWEZNQCLSA-N 349.390 2.551 30 40 EFEB C[C@H](/N=C(\NCc1ccccc1)NCc1nccs1)[C@@H]1CCCO1 71804084 DAQPZCPHXOMVMA-HOCLYGCPSA-N 344.484 2.946 30 40 EFEB CCCNC(=O)c1c(/N=C/c2ccccc2OC(F)F)cnn1C 2798000 SJKMSKLKGDXQBU-AWQFTUOYSA-N 336.342 2.912 30 40 EFEB C#CCOc1ccc(C[C@@H]2SC(=S)N(CC)C2=O)cc1OCC 6952534 ONGUHCLYONMVKO-HNNXBMFYSA-N 349.477 2.889 30 40 EFEB COc1cc(/C=N/Nc2nc3ccccc3n2C)cc([N+](=O)[O-])c1O 52412209 AZPUGGKABGYKBH-RQZCQDPDSA-N 341.327 2.642 30 40 EFEB Cc1noc(C)c1CC(=O)NCCSCc1ccccc1C#N 8772303 PUKYHGNHXOPSBT-UHFFFAOYSA-N 329.425 2.755 30 40 EFEB CC(C)C(=O)NCCN(C)Cc1ccc(C#N)cc1Br 97047187 RBOYLGFJRIVWAI-UHFFFAOYSA-N 338.249 2.525 30 40 EFEB C=CCNC(=O)Nc1ccc(NC(=O)Nc2cnn(CC)c2)cc1 58015294 DWTAXQPGAIPXJO-UHFFFAOYSA-N 328.376 2.855 30 40 EFEB CS[C@@H]1CC[C@H](N(C)CCS(=O)(=O)c2ccc(C#N)cc2)C1 110658996 LZDIOOAPKGVCRX-LSDHHAIUSA-N 338.498 2.548 30 40 EFEB COc1cc(OC)c(OC)cc1/C=C/C(=O)N(C)C1(C#N)CCC1 58368219 CTAQSQAXLBRCMQ-VOTSOKGWSA-N 330.384 2.630 30 40 EFEB Cc1nn(C/C(O)=N/c2nc(-c3ccccn3)n[nH]2)c(C)c1Cl 58416762 YMUUKZCALGINCH-UHFFFAOYSA-N 331.767 2.622 30 40 EFEB COc1cccc(/C(O)=N/S(=O)(=O)Cc2ccccc2)c1OC 48595696 OAOVEVMSXJRGMM-UHFFFAOYSA-N 335.381 2.538 30 40 EFEB O=C1/C(=C/c2cc3c(cc2[N+](=O)[O-])OCCO3)Cc2c(O)cccc21 63428483 NBJJTTMTVFJMGT-IZZDOVSWSA-N 339.303 2.894 30 40 EFEB N#Cc1cccnc1NC[C@H]1CCN(C[C@H](O)c2cccc(F)c2)C1 65531078 QGKUBMGETATFFI-KDOFPFPSSA-N 340.402 2.560 30 40 EFEB Cn1nc(C(=O)Nc2ccc(C#N)c(Cl)c2)c2ccccc2c1=O 6452491 NXNQRNNABWTCAQ-UHFFFAOYSA-N 338.754 2.711 30 40 EFEB C=CCn1c(SCC(=O)c2ccc[nH]2)nc2ccsc2c1=O 9049145 SYJHRHZRKRCZIL-UHFFFAOYSA-N 331.422 2.947 30 40 EFEB N#Cc1ccc(CNC(=O)N2CCO[C@@H](c3ccccc3F)C2)cc1 67060334 POFQSNMZIZDVOO-GOSISDBHSA-N 339.370 2.980 30 40 EFEB CNC(=O)c1cccc(C(=O)N[C@H](C#N)c2ccccc2Cl)c1 95401897 YTPCEPAEDHVIID-OAHLLOKOSA-N 327.771 2.694 30 40 EFEB Cc1cc(C#N)ccc1S(=O)(=O)N1CCN(C)Cc2ccccc21 77389791 GHPKZXGIRHGTTQ-UHFFFAOYSA-N 341.436 2.507 30 40 EFEB N#Cc1ccccc1Cn1cc([C@H]2OCCN2c2ccccc2)nn1 216755834 JODXOXHRMYVHCN-LJQANCHMSA-N 331.379 2.733 30 40 EFEB COC[C@@]1(C#N)[C@@H](S(=O)(=O)c2ccccc2)[C@@H]1c1ccccc1 218034056 CVMKHFUHVDGILD-OKZBNKHCSA-N 327.405 2.783 30 40 EFEB CN1C(=O)[C@@H]2C[C@@H](CN2Cc2ccc(C#N)cc2)Oc2ccccc21 96111901 CJLDTNAIHXHCPW-WMZOPIPTSA-N 333.391 2.557 30 40 EFEB biogenic,in-vitro CC(C)S(=O)(=O)c1ccc(C(=O)N2CCC[C@@H](CC#N)C2)cc1 597913324 KNPZEYNUWCEOJY-AWEZNQCLSA-N 334.441 2.635 30 40 EFEB NC(=S)N/N=C/c1cn(CCOc2ccccc2)c2ccccc12 5741137 ZEPJRFFZMMQBJA-UDWIEESQSA-N 338.436 2.887 30 40 EFEB O/C(CN1CCC[C@H]1Cn1cccn1)=N\c1nnc(C2CCC2)s1 19714099 FJWGHPVGIPGIOU-ZDUSSCGKSA-N 346.460 2.755 30 40 EFEB O=C1[C@H]2[C@@H]3C=C[C@H]([C@H]2C(=O)N1/N=C/c1cccc(Cl)c1)C31CC1 439525 GEPKDOJMRDNGAR-MMNWFBIOSA-N 326.783 2.871 30 40 EFEB COc1cccc([C@@H](C#N)NC(=O)c2cccc(F)c2F)c1OC 69657588 LVXLSKYERCOKIW-CYBMUJFWSA-N 332.306 2.977 30 40 EFEB Cc1ccc(-n2c(C)cc(C(=O)CN3CCOC[C@@H]3C#N)c2C)cc1 76093242 PVPSABFMOLJLHI-SFHVURJKSA-N 337.423 2.810 30 40 EFEB N#Cc1c(F)cccc1NCCNC(=O)Cc1c[nH]c2ccccc12 47341152 OZXOHOKOEFDWPV-UHFFFAOYSA-N 336.370 2.949 30 40 EFEB C[C@@H](Oc1ccc(C#N)cc1)/C(O)=N/c1nc(C(F)(F)F)n[nH]1 26254723 KYLBSHBBCHTTIJ-SSDOTTSWSA-N 325.250 2.751 30 40 EFEB Cc1nc(C)c(C(=O)OCC(=O)N(C)C2(C#N)CCCCC2)s1 10144043 RTOOYYIVJXRHQG-UHFFFAOYSA-N 335.429 2.602 30 40 EFEB O=C1C(O)=C/C(=N\c2ccccc2)c2ccc(S(=O)(=O)O)cc21 104250327 GPIKFEYENVWZGU-SAPNQHFASA-N 329.333 2.692 30 40 EFEB CCOC(=O)NCc1ccc(S(=O)(=O)/N=C(\O)[C@H](C)CC)cc1 48492839 MXSFKFYHSVLEOA-LLVKDONJSA-N 342.417 2.624 30 40 EFEB C=C(Br)CNC(=O)c1cnn(-c2ccc(F)cc2)c1C 49297088 HHGKRITWPOZDAL-UHFFFAOYSA-N 338.180 2.958 30 40 EFEB CN(C)S(=O)(=O)/N=C(\O)[C@@H]1C[C@H]1c1ccccc1C(F)(F)F 64609208 MGWNKWXWCBTQGN-VHSXEESVSA-N 336.335 2.572 30 40 EFEB Cn1c(CN2CC[C@@H](CNc3ncccc3C#N)C2)nc2ccccc21 65512178 QOMYOMSMEZTTII-HNNXBMFYSA-N 346.438 2.774 30 40 EFEB Cc1ccc(/C=C/C(=O)OCC(=O)N(C)C2(C#N)CCCCC2)o1 7778438 WQWRSLSMVZLFSM-CMDGGOBGSA-N 330.384 2.829 30 40 EFEB C[C@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)c1ccc(C#N)cc1 71890133 JVBNKHGHHSWJTP-ZDUSSCGKSA-N 329.400 2.640 30 40 EFEB N#CCNC(=O)CN[C@H]1CCC[C@@H]1c1ccccc1C(F)(F)F 97103550 PHKOBHIQZSQFCZ-OCCSQVGLSA-N 325.334 2.571 30 40 EFEB NC(=O)Cn1cc(C=C2C(=O)c3ccccc3C2=O)c2ccccc21 409132909 KYFIIMSMZDXNAB-UHFFFAOYSA-N 330.343 2.589 30 40 EFEB N#Cc1ccc(F)c(-c2ccc(CN3CCS(=O)(=O)CC3)cc2)c1 521398325 NYAKCVZREDZBTC-UHFFFAOYSA-N 344.411 2.595 30 40 EFEB N#Cc1ccc([C@@H]2C[C@H](c3ccccc3)Oc3[nH]c(=O)[nH]c(=O)c32)cc1 226761726 FFWHJLWGDLPXOS-JKSUJKDBSA-N 345.358 2.591 30 40 EFEB COC(=O)c1ccc(/C=C2\CCc3oc(C(=O)O)c(C)c3C2=O)o1 585146030 SXATYFCHKLFEBP-VQHVLOKHSA-N 330.292 2.878 30 40 EFEB Cc1ccccc1[C@H](C)NC(=O)C(=O)Nc1ccc(F)c(C#N)c1 96403892 KDRVCAOHSNMIOS-LBPRGKRZSA-N 325.343 2.822 30 40 EFEB CCC[C@H](C)CS(=O)(=O)NC(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1 245343968 WRBXPTBBEKGPQJ-VBNZEHGJSA-N 334.441 2.544 30 40 EFEB N#Cc1ccc(CNC(=O)N[C@H]2COc3c(F)cc(F)cc3C2)cc1 1650524928 KLHZACIJKOJWLV-OAHLLOKOSA-N 343.333 2.639 30 40 EFEB COCCN1C(=S)/C(=C/C(=O)OC)S/C1=N\c1ccccc1 16956892 BNIJEINTEGJBNP-LYZHNOTLSA-N 336.438 2.754 30 40 EFEB Cc1cc2nc3s/c(=C\c4ccc(C#N)cc4)c(=O)n3c2cc1C 208440989 OWMZSZFOYTYGFM-MFOYZWKCSA-N 331.400 2.945 30 40 EFEB CC(=O)Nc1ccc(S(=O)(=O)n2cc(C#N)c3ccccc32)cc1 226362647 GIQFNCGVMIYMFC-UHFFFAOYSA-N 339.376 2.708 30 40 EFEB Cc1cc(NCc2nccc(N)n2)n2c(nc3ccccc32)c1C#N 79111674 YWOUFWJYGGVGTC-UHFFFAOYSA-N 329.367 2.652 30 40 EFEB COc1cc(/N=N\c2ccccc2)cc(/C=N/NC(N)=S)c1O 104276358 FCDHQZSWFCHEOA-WTGKNFPQSA-N 329.385 2.983 30 40 EFEB COc1ccccc1NC(=O)COC(=O)c1ccc(C#N)cc1F 8169290 IQZJVVMKSVACLM-UHFFFAOYSA-N 328.299 2.501 30 40 EFEB C[C@H](C(=O)Nc1sccc1C#N)N1CCN(c2ccccc2)CC1 12534530 MQSDALSUEHMNQX-CQSZACIVSA-N 340.452 2.769 30 40 EFEB CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)Nc1cccc(C#N)c1 3284865 ZJNUNNXHJIKUQR-LJQANCHMSA-N 346.390 2.725 30 40 EFEB N#Cc1c(CCCNc2ncc(C(F)(F)F)cc2Cl)n[nH]c1N 44874367 HOKIPDUODPTWHT-UHFFFAOYSA-N 344.728 2.975 30 40 EFEB C=CCN(Cc1cccs1)C(=O)CN1CCC[C@H]1c1cnn(C)c1 69847097 ZHEJRNBLSNEBEN-KRWDZBQOSA-N 344.484 2.833 30 40 EFEB CN(CCC#N)C(=O)COC(=O)c1sccc1-c1ccccc1 14093548 DZMQQGQOZGIYSQ-UHFFFAOYSA-N 328.393 2.944 30 40 EFEB COc1ccc(OC)c([C@@H](C)NS(=O)(=O)c2ccc(C#N)cc2)c1 8059128 SWEFYABUHBSECV-GFCCVEGCSA-N 346.408 2.615 30 40 EFEB CC(C)(C#N)CCCN1CCN(Cc2nccn2C(F)F)CC1 86230771 IEYXGRIZCNFQCY-UHFFFAOYSA-N 325.407 2.726 30 40 EFEB C#CCN1CCC[C@H](OC(=O)C(O)(c2ccccc2)c2ccccc2)C1 31947027 WAZLUBXULQIYPV-FQEVSTJZSA-N 349.430 2.563 30 40 EFEB Cc1cc([C@H](C)NS(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)c(C)o1 95432851 NQBRLYVYZNISNQ-JTQLQIEISA-N 349.368 2.716 30 40 EFEB CC(C)[C@](C)(C#N)NC(=O)CNc1cc2c(cc1Cl)OCCO2 40487698 UCYFJXFADNRFPB-INIZCTEOSA-N 337.807 2.578 30 40 EFEB COc1cc(C#N)ccc1OCCCC(=O)N(C)c1nccs1 40548559 BQOXGAKDPDWJCU-UHFFFAOYSA-N 331.397 2.845 30 40 EFEB Cc1[nH]c2ccccc2c1/C=N\N1C(=O)[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@H]34)[C@H]2C1=O 100386584 IKZCSAPFNLJAJB-RAEDLQSPSA-N 345.402 2.863 30 40 EFEB CSc1nc(C2CC2)cc(C(=O)N2C[C@@H](C)O[C@H](C)C2)c1C#N 53675028 VNKLBJLCAHVFLT-GHMZBOCLSA-N 331.441 2.802 30 40 EFEB C=CCNC(=O)NC(=O)CN(C1CC1)[C@@H](C)c1ccccc1Cl 47257501 WJMHXNODEXOXSK-LBPRGKRZSA-N 335.835 2.877 30 40 EFEB COc1cccc([C@H]2O[C@]3(C)OC(=N)[C@]2(C#N)C(C#N)(C#N)[C@H]3C)c1 101034809 NTIDUYYKZFRVAA-KHXXDLOKSA-N 336.351 2.670 30 40 EFEB COC(=O)c1cccc(S(=O)(=O)/N=C(\O)C[C@@H](C)C2CC2)c1 58194342 OVBZNBBWAFQCNE-SNVBAGLBSA-N 325.386 2.555 30 40 EFEB CN1CCN(C[C@@H](NCc2cccc(C#N)c2)c2ccccc2)CC1 69171113 ZLLVVNHZGYYCIP-OAQYLSRUSA-N 334.467 2.637 30 40 EFEB COC(=O)c1cc(OCc2ccc(C#N)cc2F)cc(C(=O)OC)c1 10870237 PPHXXYXPVYTLPK-UHFFFAOYSA-N 343.310 2.850 30 40 EFEB CCCCn1c(S[C@@H](C)C#N)nc2cc(C(=O)OC)ccc2c1=O 3370392 HWKZJEMZPQEWAT-NSHDSACASA-N 345.424 2.987 30 40 EFEB CN(C)CCN(Cc1cccc(C#N)c1)C(=O)Cc1ccc(F)cc1 65931206 MWIMWPNURMUTMJ-UHFFFAOYSA-N 339.414 2.830 30 40 EFEB C=C[C@@H](O)C#CC#C[C@@H](O)/C=C/CCCCCCCCOC(C)=O 14616232 VVURZXYIXNNJCG-OGEJUEGTSA-N 332.440 2.751 30 40 EFEB endogenous,in-man C=C(Br)CNC(=O)C(=O)Nc1ccc(CSC)cc1 67557228 HLSMUTZMVYXNAG-UHFFFAOYSA-N 343.246 2.513 30 40 EFEB CS(=O)(=O)c1cc([N+](=O)[O-])c(NCc2cccc(C#N)c2)s1 97370444 RPHVCNZZFGHPMF-UHFFFAOYSA-N 337.382 2.544 30 40 EFEB O=C(NCC#Cc1cccc(C(F)(F)F)c1)NC1(CCO)CCC1 95417081 CXNGEBXUPXGVIU-UHFFFAOYSA-N 340.345 2.661 30 40 EFEB N#Cc1ccc(NC[C@@H]2COC3(CCOCC3)O2)cc1C(F)(F)F 95990676 RRMGIKKZLABCSK-CYBMUJFWSA-N 342.317 2.911 30 40 EFEB C#CCn1cc(CN(C)C(=O)N[C@H]2C[C@@H]2c2cccc(Cl)c2)cn1 89364869 JPEVDOCIDBIFTQ-SJORKVTESA-N 342.830 2.867 30 40 EFEB COc1cccc2c1CCN(C(=O)NCc1ccc(C#N)cc1F)C2 96501373 HMPDJBSZUAOMQQ-UHFFFAOYSA-N 339.370 2.974 30 40 EFEB N#Cc1ccc(C(F)(F)F)c(NCCn2cc([N+](=O)[O-])cn2)c1 97096773 DFHLHEUGUBECNF-UHFFFAOYSA-N 325.250 2.794 30 40 EFEB C[C@H](c1cccnc1)N1CCN(c2cc(C#N)ccc2[N+](=O)[O-])CC1 274264090 OOFIDXQZMCAZHR-CQSZACIVSA-N 337.383 2.745 30 40 EFEB CCCCN/C(O)=N/S(=O)(=O)c1ccc(OC(F)(F)F)cc1 40116186 CZAAVCLVVSZBSA-UHFFFAOYSA-N 340.323 2.578 30 40 EFEB CC(C)(C)OC(=O)N1[C@H]2CC[C@H]1CN(c1ccc(C#N)cn1)CC2 101489427 LMCUXYGMIKJXCT-GJZGRUSLSA-N 328.416 2.931 30 40 EFEB CC(C)NC(=O)[C@H](C#N)C(=O)[C@@H]1C[C@@H]1c1ccc(Br)cc1 101904187 DWQGQZCNDFLGAB-MGPQQGTHSA-N 349.228 2.786 30 40 EFEB N#Cc1cc2c(nc1NC(=S)NC(=O)c1ccccc1)CCCC2 521766 MKOBPOQHYXYWPH-UHFFFAOYSA-N 336.420 2.959 30 40 EFEB N#CCOC(=O)C[C@H]1Sc2ccc(C(F)(F)F)cc2NC1=O 12426632 KLKUPOJYEDPUIQ-SNVBAGLBSA-N 330.287 2.575 30 40 EFEB N#Cc1cccnc1N1CCCN(C(=O)Nc2cccc(F)c2)CC1 56520564 DQLGMLZHONOJAM-UHFFFAOYSA-N 339.374 2.837 30 40 EFEB N#Cc1ccc(/C=C/C(=O)N(C[C@@H]2CCCO2)C[C@@H]2CCCO2)cc1 58223094 CVIHUMYEMYKKFL-MYQPPDNISA-N 340.423 2.758 30 40 EFEB N#Cc1cccc(NC(=O)NCCCNC(=O)c2cccc(F)c2)c1 69737927 QHDIPTWQONXKHB-UHFFFAOYSA-N 340.358 2.639 30 40 EFEB COc1ccc(/C=N/n2c(-c3n[nH]c4c3CCC4)n[nH]c2=S)cc1 5625611 UIVRHCVKOOLZCY-RQZCQDPDSA-N 340.412 2.710 30 40 EFEB COCc1cc(C)nc(SCC(=O)Nc2nccs2)c1C#N 9096412 ZBYGFAROIAVNGP-UHFFFAOYSA-N 334.426 2.595 30 40 EFEB CC(=O)[C@@H]1CC(C(=O)N(C)c2cccc(C#N)c2)=NN1c1ccccc1 60347501 BYAILSHUGBAEKF-IBGZPJMESA-N 346.390 2.745 30 40 EFEB Cc1ccc(S(=O)(=O)/N=C(\O)[C@@H](C)OC[C@H]2CCCO2)cc1C 69282725 PCGBRAHQZUOQMT-ZIAGYGMSSA-N 341.429 2.533 30 40 EFEB N#Cc1cc2c(N)c(C(=O)Nc3ccc(F)c(F)c3)sc2nc1N 33698156 VNOIDLFOSANUBE-UHFFFAOYSA-N 345.334 2.863 30 40 EFEB C=CCN(Cc1cccs1)S(=O)(=O)c1cnn(C(C)C)c1 96427654 QXZJLNABRGVGPI-UHFFFAOYSA-N 325.459 2.902 30 40 EFEB Cc1[nH]c2ccccc2c1C=NN1C(=O)[C@H]2[C@H]3C=C[C@H]([C@H]2C1=O)[C@@H]1C[C@@H]31 245226686 IKZCSAPFNLJAJB-PAUSBUDFSA-N 345.402 2.863 30 40 EFEB COC(=O)N1C[C@H]2C=C[C@H]1[C@H](c1noc(C3(C#N)CCCCC3)n1)C2 585120496 QUPOANBMJXMYPV-MJBXVCDLSA-N 342.399 2.905 30 40 EFEB C[C@H](Sc1cc(Cl)ccc1Cl)C(=O)/N=C1/N=C(O)CN1 56214352 HTJMRUDAGCNQKV-LURJTMIESA-N 332.212 2.916 30 40 EFEB CCOC1(NC(=O)c2cccc([N+](=O)[O-])c2)C(C)=CC(=O)C=C1C 16807552 LRWCVSNPRBREKY-UHFFFAOYSA-N 330.340 2.533 30 40 EFEB C#CCOCC1CCN(C(=O)c2cc(-c3ccccc3)nn2C)CC1 49028819 GYYRAQSNCONDIR-UHFFFAOYSA-N 337.423 2.589 30 40 EFEB CSc1nc(N2CCOCC2)c2c(c1C#N)C[C@H](C(C)C)OC2 20190796 LCVOALAXYDXRJH-OAHLLOKOSA-N 333.457 2.609 30 40 EFEB C=CCn1c(SCCC(=O)Nc2cc(C)on2)nnc1C1CC1 40465623 QHIZBNRIPLIXEP-UHFFFAOYSA-N 333.417 2.759 30 40 EFEB C=CCOc1cccc(NC(=O)c2ccccc2NS(C)(=O)=O)c1 52410897 LOTLYSKVCMRFJQ-UHFFFAOYSA-N 346.408 2.875 30 40 EFEB CC(C)(C#N)C(=O)Nc1ccc(NC(=O)CN2CCCCCC2)cc1 55404987 WCMGWGBPXABBMZ-UHFFFAOYSA-N 342.443 2.989 30 40 EFEB N#Cc1cccc(S(=O)(=O)N[C@H]2CCC[C@@H](C(F)(F)F)C2)c1 25375731 DIWBQBFEOZDARE-NEPJUHHUSA-N 332.347 2.958 30 40 EFEB C#CCN1CCCC[C@@H]1C(=O)N1CC=C(c2c[nH]c3ncccc23)CC1 56336224 GPQSQXJYDFWOKV-LJQANCHMSA-N 348.450 2.666 30 40 EFEB N#Cc1ccc([C@@]2(O)CN(c3ccccc3)C3=[N+]2CCCS3)cc1 3226876 BNQCVBVTWQCZKQ-IBGZPJMESA-N 336.440 2.729 30 40 EFEB N#Cc1ccc(NC(=O)COC(=O)CCC(=O)c2cccs2)cc1 3318542 CWBQBODJFPRNSP-UHFFFAOYSA-N 342.376 2.765 30 40 EFEB CCOc1ccc(-c2nc(C/C(O)=N/S(C)(=O)=O)cs2)cc1 48487030 YXHONFFTGGKVBP-UHFFFAOYSA-N 340.426 2.667 30 40 EFEB N#Cc1csc(CN2CCN(C(=O)c3ccc(F)cc3F)CC2)c1 93006685 FDOADUOHFASEBR-UHFFFAOYSA-N 347.390 2.856 30 40 EFEB N#Cc1nccnc1N1CCC(C(=O)c2c(F)cc(F)cc2F)CC1 79353959 YVBPQQLHNBWYAT-UHFFFAOYSA-N 346.312 2.865 30 40 EFEB C=C(C)Cn1c(CC(F)(F)F)nnc1N1CCO[C@@H](C(C)C)C1 580191593 OSWNHZPGYNMMHM-GFCCVEGCSA-N 332.370 2.820 30 40 EFEB Cc1cc(C)c(C#N)c(N2CCC(NC(=O)c3ccccc3)CC2)n1 14137207 FBUSUJZTCUVBMF-UHFFFAOYSA-N 334.423 2.969 30 40 EFEB N#Cc1ccccc1S(=O)(=O)Oc1ccc(C(=O)O)cc1Cl 8345724 LBTZALSTGVNJMK-UHFFFAOYSA-N 337.740 2.678 30 40 EFEB Cc1cc(O)c(CN2CCOCC2)c2c1C(=O)/C(=C/c1ccco1)O2 20588586 WYURBCJOUVWDFC-YBEGLDIGSA-N 341.363 2.742 30 40 EFEB Cc1cc(C)c2nc(SCC(=O)N3CCOCC3)c(C#N)cc2c1 416651 JMBZVUFGKHWOMY-UHFFFAOYSA-N 341.436 2.674 30 40 EFEB CC1(C)CC(=O)C2=C(C1)Nc1[nH]nc(O)c1[C@H]2c1ccc(O)c(O)c1 12348858 MZIPKQZXOSBDHW-ZDUSSCGKSA-N 341.367 2.727 30 40 EFEB COc1ccc(-c2n[nH]c(=S)n2/N=C\c2ccc(O)c(O)c2)cc1 54360512 NHUXMEHLAZKHRC-MFOYZWKCSA-N 342.380 2.910 30 40 EFEB COc1ccc(CNC(=O)Nc2cccc(OCC#N)c2)cc1OC 48516903 WJKDHBFVRCFOSM-UHFFFAOYSA-N 341.367 2.928 30 40 EFEB Cc1nc(C)n(C[C@H]2CCCCN2CCOc2cccc(C#N)c2)n1 69629473 GCESGLQLOBQSDL-GOSISDBHSA-N 339.443 2.700 30 40 EFEB CC[C@H](C)Oc1cc(C)ccc1CN/C(=N/C)NCC1(C)COC1 97021950 AFYGJBQLFZFGTQ-HNNXBMFYSA-N 333.476 2.874 30 40 EFEB N#Cc1ccccc1-c1ccccc1C(=O)Nc1cccc(C(N)=O)n1 89809570 VXAHTIMKJDJNKR-UHFFFAOYSA-N 342.358 2.971 30 40 EFEB COC(=O)c1ccc(/N=C/c2cn(CC(N)=O)c3ccccc23)cc1 409386395 SXRGTLKUVGUROP-UFFVCSGVSA-N 335.363 2.664 30 40 EFEB Cc1ccc2nc(NCCNC(=O)c3cccnc3)c(C#N)cc2c1 35289207 XIJLJGUQYINIGJ-UHFFFAOYSA-N 331.379 2.652 30 40 EFEB C[C@H](CCC(=O)N(C)CCCc1[nH][nH]c(=N)c1C#N)c1ccccc1 561184068 UNDHGRZSHCYACQ-CQSZACIVSA-N 339.443 2.669 30 40 EFEB CCN(CC)[C@H](CNC(=O)c1cc(C#N)ccn1)c1ccsc1 225800613 JDYIZUDSDOIWLR-MRXNPFEDSA-N 328.441 2.828 30 40 EFEB CCO[C@@H](C)c1nc(Cn2nc(CC)c(CC)c(C#N)c2=O)cs1 96424922 WIGDWJQBLSXECB-NSHDSACASA-N 346.456 2.842 30 40 EFEB C=CCNC(=O)[C@@H]1C[C@H]2CC[C@@]1(C)C[C@@]21NC(=O)c2ccccc2N1 257199921 ABGXFBMVSLDRIC-NNSOFZPJSA-N 339.439 2.667 30 40 EFEB C=C[C@H]1OCC[C@@H]1CNc1ncnc2c1cnn2-c1ccccc1F 1615571372 KJOOPFGDCRCGAW-MLGOLLRUSA-N 339.374 2.958 30 40 EFEB C=CCN1C(=O)[C@@H](C(=O)NC(C)(C)C)[C@H]2C[C@@]1(C)Oc1ccccc12 100632506 DHNCWQIFLXBPEU-YYFZDKIDSA-N 342.439 2.828 30 40 EFEB biogenic CCCCCCC[C@]1(C)NC(=O)N(CC(=O)NC2CCCC2)C1=O 101662431 HJRLWAXZFMTRSD-SFHVURJKSA-N 337.464 2.716 30 40 EFEB COc1ccc(N/N=C(/Oc2ccc([N+](=O)[O-])cc2)C(C)=O)cc1 101832702 FXDMDBVSJALYPJ-FBMGVBCBSA-N 329.312 2.997 30 40 EFEB C[C@H](OC(=O)c1cc[nH]n1)C(=O)/C=C1/N(C)c2ccccc2C1(C)C 46349886 VAQCLXYDBJZSCM-OOIIIRTPSA-N 339.395 2.836 30 40 EFEB C=CCSc1nc(=O)c2c(n1C)NC(=O)C[C@@H]2c1cccc(C)c1 4944609 HXYYMOAUOQGRDJ-CYBMUJFWSA-N 341.436 2.841 30 40 EFEB O=C1[C@@H]2[C@@H](C(=O)N1/N=C/c1ccc(Cl)cc1)[C@@H]1C=C[C@@H]2C12CC2 100563393 GZALAPHOSCORED-HPJRRFGBSA-N 326.783 2.871 30 40 EFEB N#Cc1ccccc1N1CCCN(Cc2nc(-c3ccco3)no2)CC1 44937832 BKCHBLXLHINVDJ-UHFFFAOYSA-N 349.394 2.914 30 40 EFEB CN(C)C(=O)COc1ccc(C(=O)/C=C/c2cn3ccccc3n2)cc1 44979868 MUTVIRMWSLVITE-DHZHZOJOSA-N 349.390 2.697 30 40 EFEB Cc1cccc(N2CC(=O)C(c3nc4ccccc4n3C)=C2N)c1C 5214019 FUHAQUDTIYDMFW-UHFFFAOYSA-N 332.407 2.907 30 40 EFEB Fc1cnc(NN=Cc2ccc(Cl)cc2)nc1N1CCOCC1 408728993 BMBBSHMANPWEMK-UHFFFAOYSA-N 335.770 2.552 30 40 EFEB CCOc1cc2c(cc1/C=N/c1ccc(O)c(C(=O)O)c1)OCO2 409088306 KWLYDANRWHHIBF-QGMBQPNBSA-N 329.308 2.968 30 40 EFEB N#CC1(C(=O)Nc2ccc(C(N)=O)c(N3CCCCC3)c2)CCCC1 79095390 QOHYGTWAMLZKRX-UHFFFAOYSA-N 340.427 2.798 30 40 EFEB Cc1ccc(S(=O)(=O)[C@H]2[C@@H](c3ccc(F)cc3)[C@@]2(C#N)C=O)cc1 225663480 GNCCHFLGTJKCIP-FGTMMUONSA-N 343.379 2.783 30 40 EFEB C=CCN(Cc1ccc(C(=O)O)cc1)S(=O)(=O)c1ccccc1 225147601 FZEOJINNTIXLHN-UHFFFAOYSA-N 331.393 2.762 30 40 EFEB N#Cc1cccc(CNC(=O)c2ncccc2OCC(F)(F)F)c1 84076084 KQQPGRFNMNBHQT-UHFFFAOYSA-N 335.285 2.824 30 40 EFEB CCN(C(=O)OC(C)(C)C)/C(=N/OC(=O)C(C)(C)C)n1cccn1 91244410 YXMXZEGIKUOIGZ-AQTBWJFISA-N 338.408 2.849 30 40 EFEB C[C@@H]1CCN(C(=O)[C@H](C#N)Cc2ccc(C#N)cc2)C[C@@H]1n1ccnc1 280449363 RHFDVBWDGHCFCL-MNEFBYGVSA-N 347.422 2.547 30 40 EFEB N#Cc1cccnc1-n1cc(NC(=O)N2CCCC(F)(F)CC2)cn1 599773210 IEJMPSYNBYXTDJ-UHFFFAOYSA-N 346.341 2.792 30 40 EFEB C=CCC[C@H](O)CN1CCCN(C(=O)c2ccc(Cl)cc2)CC1 96473569 HSODLYXYIMKRLU-KRWDZBQOSA-N 336.863 2.815 30 40 EFEB Cc1ccc(NC(=O)/C=N/O[C@H](C)C(=O)Nc2cc(C)on2)c(C)c1 15368567 QMJBDJOEYXRLDA-AGZSBTIMSA-N 344.371 2.568 30 40 EFEB COC(=O)c1ccc(/C=N/OCC(=O)N[C@@H]2CCC[C@H](C)[C@@H]2C)cc1 13482067 YZJSIJDZAWLCQD-FOLUXADTSA-N 346.427 2.765 30 40 EFEB Cc1cc2ncc(CCCNC(=O)CCc3ccc(C#N)cc3)cn2n1 207995392 WUKKUHVJFGOTGH-UHFFFAOYSA-N 347.422 2.591 30 40 EFEB CCCCN/C(O)=N/S(=O)(=O)c1cccc(OC(F)(F)F)c1 40116154 MQMIAYSBBIACQQ-UHFFFAOYSA-N 340.323 2.578 30 40 EFEB CCOC(=O)C1=C(C)N/C(=C/c2ccc(Br)cc2)C1=O 37622 YEQYKVHXASFFFF-XYOKQWHBSA-N 336.185 2.799 30 40 EFEB C=CCNC(=O)[C@@H](C)N1CCC(C(=O)c2ccc(C)cc2C)CC1 32825551 ISMBBUGSZKJCJD-MRXNPFEDSA-N 328.456 2.889 30 40 EFEB C[C@H](Oc1ccccc1C#N)C(=O)N[C@H](CC(=O)O)c1ccccc1 78336389 JVDVXDXFISUXSB-XJKSGUPXSA-N 338.363 2.658 30 40 EFEB C/C(=C\C(=O)[C@H](C#N)C(=O)NCCCOC(C)C)c1ccc(F)cc1 103682126 YGLZEAWYEWCUEW-WKOYGUFESA-N 346.402 2.869 30 40 EFEB N#Cc1c(Cl)nsc1NC1CCN(C(=O)c2ccco2)CC1 47405308 AQMXVMRRWKQXAG-UHFFFAOYSA-N 336.804 2.978 30 40 EFEB CC(=O)N1CCc2cc(N[C@@H](C)C(=O)Nc3cccc(C#N)c3)ccc21 12563563 XQVLKFXTXTYBKV-ZDUSSCGKSA-N 348.406 2.906 30 40 EFEB CCC[C@H](C)NC(=O)CO/N=C/c1ccc(OC(F)F)c(OC)c1 3330807 ZQNJMQFTARQUGQ-LOMXTUQMSA-N 344.358 2.952 30 40 EFEB Cc1nc2ccccc2nc1SCC(=O)NC1(C#N)CCCC1 12903218 AMIDSCZAFZMUKG-UHFFFAOYSA-N 326.425 2.983 30 40 EFEB CCN1CCN(C[C@H](C)CN/C(=N/C(C)C)c2cccs2)CC1 71843657 BLNNHWFEPWLRFH-MRXNPFEDSA-N 336.549 2.766 30 40 EFEB N#Cc1cccc(CNc2cccc(CN3CCC[C@@H](C(N)=O)C3)c2)c1 96482850 NCHYAEADKXGYMA-LJQANCHMSA-N 348.450 2.868 30 40 EFEB COC(=O)c1c(C)[nH]c(C(=O)N(CCC#N)Cc2ccco2)c1C 58228989 SDHWBRYEHQLKFP-UHFFFAOYSA-N 329.356 2.567 30 40 EFEB Cc1cn(Cc2ccc(C#N)cc2)c(=O)n1-c1cccc([N+](=O)[O-])c1 63863902 KMPYXXVBHVSVDF-UHFFFAOYSA-N 334.335 2.776 30 40 EFEB Cc1[nH]nc(NS(=O)(=O)Cc2ccccc2C(F)(F)F)c1C#N 97101550 LOMZLMWTPHPENQ-UHFFFAOYSA-N 344.318 2.551 30 40 EFEB CCc1nn(Cc2nc(-c3ccco3)oc2C)c(=O)c(C#N)c1CC 71893985 HREAJJFKOTYRAE-UHFFFAOYSA-N 338.367 2.845 30 40 EFEB C[C@@H](N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O)c1cncc(F)c1 96500306 AOQLAMMWIONZOD-FZKQIMNGSA-N 338.386 2.939 30 40 EFEB COc1ccc(Cl)c(S(=O)(=O)N(CCC#N)CC2CC2)c1 71900681 LXYCSUXPKMDEOT-UHFFFAOYSA-N 328.821 2.663 30 40 EFEB C/N=C(\NCCc1ccncc1C)N[C@H](C)c1ccccc1OC 95438566 VRELJIUXSCFPGJ-OAHLLOKOSA-N 326.444 2.867 30 40 EFEB N#C[C@@]1(C=O)[C@H](c2cccc(Cl)c2)[C@@H]1S(=O)(=O)c1ccccc1 218483720 JRXUQBLTUKNJPY-IXDOHACOSA-N 345.807 2.989 30 40 EFEB C=CCOc1c(OCC)cc(I)cc1C(=O)O 225282309 CBXHHCNZAODRMA-UHFFFAOYSA-N 348.136 2.953 30 40 EFEB CCCCOCCCNS(=O)(=O)c1ccc(C#N)c(Cl)c1 48369049 HEDFPGZDIXNBGC-UHFFFAOYSA-N 330.837 2.697 30 40 EFEB Cc1cc(=O)n(Cc2cc(C#N)ccc2Br)cc1[N+](=O)[O-] 191742804 MCZUHCNEXVGETE-UHFFFAOYSA-N 348.156 2.747 30 40 EFEB N#CC1(COC(=O)c2c[nH]nc2-c2ccc(F)cc2)CCOCC1 97380199 XRYBPIHQZUTQQB-UHFFFAOYSA-N 329.331 2.693 30 40 EFEB N#C[C@H](C(=O)c1ccnn1C1CCCC1)c1nnc2n1CCCCC2 96478765 IKYFBOVTEOWSJV-CQSZACIVSA-N 338.415 2.806 30 40 EFEB CC[C@@H](CC#N)NC(=O)Nc1ccc(-c2nnnn2C(C)C)c(F)c1 97096264 FWPOLBTZURCTDZ-NSHDSACASA-N 345.382 2.874 30 40 EFEB Cc1nc(-c2ccccc2)nc2c1CCN(C(=O)C1(C#N)CC1)CC2 96094521 GGYWXBYMOLHMIW-UHFFFAOYSA-N 332.407 2.683 30 40 EFEB O=C([C@@H](F)C(=O)C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F 627281302 HUVJAWQGDIDMGG-SFOWXEAESA-N 326.061 2.858 30 40 EFEB CCS(=O)(=O)c1ccccc1C(=O)OCc1cccc(C#N)c1 17213181 YUAMJJHEWPMGRR-UHFFFAOYSA-N 329.377 2.709 30 40 EFEB C=CCn1c2c(c(=O)[nH]c1=S)CN(CCc1ccccc1)CN2 19874763 DOBBKMKPGIQFTD-UHFFFAOYSA-N 328.441 2.520 30 40 EFEB Cc1cc(F)cc2c(NCC(=O)NCc3ccco3)c(C#N)cnc12 76041905 WTHQBKPCPYGBQC-UHFFFAOYSA-N 338.342 2.875 30 40 EFEB C[C@H](Sc1cccc[n+]1[O-])C(=O)Nc1sc2c(c1C#N)CCC2 42140326 BDHYXQZBTZEBGB-JTQLQIEISA-N 345.449 2.861 30 40 EFEB COc1ccccc1C(=O)N1CCN(Cc2ccc(C#N)cc2)CC1 24002010 CKCIRMRMGLXQTF-UHFFFAOYSA-N 335.407 2.525 30 40 EFEB CC(C)(C)C(=O)/C(=N/OC(=O)Nc1ccc(Cl)cc1)n1cncn1 2068683 POXYNCGJALQVHX-MOSHPQCFSA-N 349.778 2.957 30 40 EFEB Cc1nn(Cc2ccc(OCc3ccccn3)cc2)c(=O)c(C#N)c1C 58281641 XRUDKVRQWQSCBV-UHFFFAOYSA-N 346.390 2.754 30 40 EFEB CCNC(=O)C1(NC(=O)/C=C/c2ccc(C#N)cc2)CCCCC1 58202847 AXKANCYADHSLGS-ZHACJKMWSA-N 325.412 2.527 30 40 EFEB CC/N=C1/S/C(=C/c2cc(OC)c(O)c(OC)c2)C(=O)N1CC 408929716 MXGDMSIGEDPIJH-YDNXFKBOSA-N 336.413 2.722 30 40 EFEB COc1ccc(/C=N/OCC(=O)Nc2cccc(C(C)=O)c2)cc1 6905916 HWWMDCPDAOCWOA-YBFXNURJSA-N 326.352 2.887 30 40 EFEB N#Cc1ccsc1NC(=O)CN1C(=O)CSc2ccccc21 25725222 KTQHYXFLLYCANV-UHFFFAOYSA-N 329.406 2.697 30 40 EFEB COC(=O)[C@@H]1CCC[C@H]1C(=O)N(Cc1ccc(C#N)cc1)C(C)C 97233595 BZOYUMWBOVCFLJ-IAGOWNOFSA-N 328.412 2.885 30 40 EFEB C[C@@H](Oc1ccc(C#N)cc1)C(=O)N1CCCC[C@@H]1Cn1cccn1 71865012 IYRBLULSAFKIIV-NVXWUHKLSA-N 338.411 2.603 30 40 EFEB Cc1ccc(S(=O)(=O)/N=C(\O)c2cc3c(s2)CCOC3)s1 95349737 YKVMRTGHVVRRIV-UHFFFAOYSA-N 343.451 2.884 30 40 EFEB C=CCOCc1cncc2c1CCN(C(=O)Cc1ccsc1)C2 96189371 SBLYSOHDJHQAAD-UHFFFAOYSA-N 328.437 2.973 30 40 EFEB COc1cccc2c1ccn2C/C(O)=N/c1nc([C@@H]2CCCO2)n[nH]1 95480517 MIFRJWMOXJXNJJ-AWEZNQCLSA-N 341.371 2.908 30 40 EFEB COc1cc(C)c(S(=O)(=O)N(C2CC2)C2(C#N)CCC2)cc1C 616169867 UMGPOCDAWVHUGQ-UHFFFAOYSA-N 334.441 2.911 30 40 EFEB C=C[C@H](C(=O)N1CCC[C@H](CNC(=O)C(C)C)C1)c1ccccc1 1616037550 CWZNJRKMDIDNEK-AEFFLSMTSA-N 328.456 2.967 30 40 EFEB CCOc1ccc(C2(CNC(=O)CSCC#N)CCOCC2)cc1 56366767 XDGNLBBZLQOVKP-UHFFFAOYSA-N 348.468 2.506 30 40 EFEB CC[C@@]1(C)NC(=O)N(/N=C/c2ccc(N3CCCCC3)s2)C1=O 8340835 XMESNUTWPJZWMH-PCJMVEANSA-N 334.445 2.793 30 40 EFEB Cn1cc(S(=O)(=O)/N=C(\O)[C@H]2C[C@@H]2c2cccc(Cl)c2)cn1 50205282 HOJKSTNXGWZVEI-OLZOCXBDSA-N 339.804 2.522 30 40 EFEB CCc1cnc(CN(C)[C@H]2CCN(Cc3ccc(F)cc3C#N)C2)o1 78891946 RODJXZQFASVRDC-KRWDZBQOSA-N 342.418 2.954 30 40 EFEB C=C1[C@@H]2C[C@@H](O)[C@H]3[C@](CC[C@@H]4[C@]3(C)CCC[C@@]4(C)C(=O)O)(C2)[C@H]1O 100145213 VRVOLALMVUEAHP-UZUXQPAISA-N 334.456 2.982 30 40 EFEB C[C@@H](Oc1ccccc1C#N)C(=O)N1CCCC[C@H]1Cn1cccn1 71865220 WOYVYBODEPKMEA-WBVHZDCISA-N 338.411 2.603 30 40 EFEB C=CCOc1ccc(/C=C/C(=O)OCC(=O)NCc2ccco2)cc1 10524300 JXUAUNYWUKAODM-JXMROGBWSA-N 341.363 2.717 30 40 EFEB C#CCN(C(=O)c1cccc(CS(C)(=O)=O)c1)C1CCCCC1 58156450 MSMGILCLSYRJED-UHFFFAOYSA-N 333.453 2.639 30 40 EFEB N#Cc1cc([N+](=O)[O-])ccc1N1CCCN(c2nccs2)CC1 58158600 BQXPULWLHUOTLE-UHFFFAOYSA-N 329.385 2.640 30 40 EFEB Cc1ccccc1NC1CCN(CC(=O)NC2(C#N)CCCC2)CC1 58324734 ONBOCOPAPXCXOV-UHFFFAOYSA-N 340.471 2.824 30 40 EFEB C=CCOn1c(=O)c(-c2cc3ccccc3o2)[n+]([O-])c2ccccc21 2312691 MDXYYGZGUFOCIB-UHFFFAOYSA-N 334.331 2.663 30 40 EFEB COc1ccccc1Nc1nc(N)nc(COc2ccccc2C#N)n1 16583391 JNZUJFJKBGXICY-UHFFFAOYSA-N 348.366 2.657 30 40 EFEB COC(=O)CCNC(=O)c1ccc(Oc2cccc(F)c2C#N)cc1 69616069 CXQBONYTDKTVHL-UHFFFAOYSA-N 342.326 2.783 30 40 EFEB CS(=O)(=O)/N=C(\O)c1ccc(Oc2ccc(Cl)cn2)cc1 95395374 JEZDHKVHCFRYJZ-UHFFFAOYSA-N 326.761 2.792 30 40 EFEB COc1cc(NCCNc2ncccc2C#N)c([N+](=O)[O-])cc1F 95411929 VBZSZRVGTVZFGW-UHFFFAOYSA-N 331.307 2.533 30 40 EFEB Cn1cc(N2CCC[C@H](SCc3ccc(F)cc3C#N)C2=O)cn1 89755859 MTMARJYQVOQWPY-INIZCTEOSA-N 344.415 2.860 30 40 EFEB Cc1ccc(F)cc1NC(=O)COC(=O)c1ccc(C#N)cc1F 409215136 XCIGEBDKQUFJGE-UHFFFAOYSA-N 330.290 2.940 30 40 EFEB N#CCCN(C(=O)CNc1ccc(-n2nccn2)cc1)c1ccccc1 125000257 RHVXIQBWJMIKOV-UHFFFAOYSA-N 346.394 2.626 30 40 EFEB COc1ccccc1OCCN1C(=O)/C(=N\O)c2ccc(C)c(C)c21 46084677 IQGUXBVROCARRS-JZJYNLBNSA-N 340.379 2.916 30 40 EFEB Cc1ccc([C@H]2[C@H](S(=O)(=O)c3ccccc3)[C@@]2(C#N)C=O)cc1 225657671 SZDNNPGDLFEIKU-BZSNNMDCSA-N 325.389 2.644 30 40 EFEB CCN(CC)C[C@@H]1CN(Cc2cccc(C#N)c2)Cc2nccn2C1 96066913 NOKHQGFXXSAIMO-LJQANCHMSA-N 337.471 2.729 30 40 EFEB N#Cc1nn(-c2ccc(F)cc2)nc1N1CCN(c2ccccc2)CC1 256048377 SOAKLHKQYWYKLJ-UHFFFAOYSA-N 348.385 2.605 30 40 EFEB COc1cc2c(c(OC)c1OC)CCN([C@H]1CC[C@H](C#N)C1)CC2 590162727 NAKLOLHJFOJVJN-ZFWWWQNUSA-N 330.428 2.805 30 40 EFEB Cc1nc(C2CC2)nc(N2CCN(c3cnccc3C#N)CC2)c1C 1888843171 UMTDRXPWTNOAFO-UHFFFAOYSA-N 334.427 2.564 30 40 EFEB N#Cc1cccc(/C=C/C(=O)NCCN2CCc3ccccc3C2)c1 33017803 RRKSLYBMWDVMJE-CMDGGOBGSA-N 331.419 2.746 30 40 EFEB C#CCCOC(=O)c1cccc(CS(=O)(=O)c2ccccc2)c1 52746062 SSFPKKITHAGDEN-UHFFFAOYSA-N 328.389 2.841 30 40 EFEB NC(=O)[C@@H]1C2=C(CCCC2)S[C@@H]1/N=C\c1ccc(O)c([N+](=O)[O-])c1 100277606 KOVLWMKSLDDAAI-AQIFWMOJSA-N 347.396 2.722 30 40 EFEB CO/N=C/Nc1nc2nccc([C@@H](C)Oc3cccc(Cl)c3)n2n1 3134433 ZRGJXOAHGNVYTL-SNVBAGLBSA-N 346.778 2.919 30 40 EFEB C[C@H](NC(=O)Nc1ccccc1)C(=O)N(C)Cc1cccc(C#N)c1 25101648 VNDIPRPJXLSBFH-AWEZNQCLSA-N 336.395 2.727 30 40 EFEB C=CCNC(=O)[C@@H](C)Sc1nnc2ccc(C(F)(F)F)cn12 25357177 LBUDIYJKNMNFMQ-MRVPVSSYSA-N 330.335 2.531 30 40 EFEB C=CCN1CCN(Cc2nc(-c3ccc(SC)cc3)no2)CC1 57427689 ZFHBJSJKBJKOPI-UHFFFAOYSA-N 330.457 2.762 30 40 EFEB O=C(/C=N/OCCOc1ccccc1)Nc1cccc([N+](=O)[O-])c1 5402294 UUQSXMSMWSGAJE-SFQUDFHCSA-N 329.312 2.615 30 40 EFEB Cc1ccc(S(=O)(=O)N/N=C/c2ccc(N3CCCC3)cc2)cc1 36843710 IGOXVWOUNJNMDF-XMHGGMMESA-N 343.452 2.908 30 40 EFEB N#CCCN(c1ccccc1)S(=O)(=O)c1ccc2c(c1)OCO2 182370566 IRSAECVVTLZWMV-UHFFFAOYSA-N 330.365 2.524 30 40 EFEB Cc1c(C#N)c(SCC(=O)NC2(C#N)CCCC2)nc2c1CCC2 9154644 VWYZFXMAYBVEHG-UHFFFAOYSA-N 340.452 2.795 30 40 EFEB CCN(CC)S(=O)(=O)/N=C(\O)[C@@H]1C[C@@H]1c1ccc(Cl)cc1 78984744 HICHGRUROZQQSM-CHWSQXEVSA-N 330.837 2.987 30 40 EFEB Cc1oc(-n2cccc2)c(C#N)c1C(=O)N1CC[C@@]2(CCOC2)C1 96462279 NVRIAJLNGLMFJA-GOSISDBHSA-N 325.368 2.503 30 40 EFEB C=C(Cl)CN(C(=O)CCn1cncn1)[C@H]1CCc2ccccc21 69589016 ZSUMJYVKHFGQJD-INIZCTEOSA-N 330.819 2.937 30 40 EFEB CCOc1cc(/C=N/NC(N)=S)ccc1OCc1ccc(F)cc1 6078636 GXFNJYPFHCHAFK-KEBDBYFISA-N 347.415 2.971 30 40 EFEB C[C@@H](Oc1ccc(CC(=O)O)cc1)C(=O)N(C)C1(C#N)CCCCC1 13421504 BVATWFKQJRQMLI-CQSZACIVSA-N 344.411 2.766 30 40 EFEB COCCN1CCC[C@]12CCCN(C(=O)C1(C#N)CCCC1)CC2 1614948439 WKIYLMKPMHYEKT-IBGZPJMESA-N 333.476 2.564 30 40 EFEB CCOC(=O)c1c(C)oc2c1/C(=C/NCCO)C(=O)c1ccccc1-2 100437646 CXOWUHBABOYAPS-UVTDQMKNSA-N 341.363 2.551 30 40 EFEB C#CCNC(=O)c1cc(-c2ccccc2)c(N2CCOCC2)s1 32747521 RHGXQEKBWUEIHS-UHFFFAOYSA-N 326.421 2.615 30 40 EFEB CCC(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCCCN2C)cc1 102386593 CCUSOIMTTBVETB-SDXDJHTJSA-N 337.445 2.628 30 40 EFEB N#Cc1ccc(CNC2CCC(C(=O)N3CCSCC3)CC2)cc1 78978653 PPHKDMLMTLNNFW-UHFFFAOYSA-N 343.496 2.782 30 40 EFEB COc1ccc(/C=N/n2cnc3c([nH]c4ccc(C)cc43)c2=O)cc1O 499695 PLRPXQRUERGHID-ZVBGSRNCSA-N 348.362 2.783 30 40 EFEB C#CCN(Cc1cc(=O)n2ccsc2n1)[C@H]1CCc2ccccc21 52845771 AAVCLHCCLIOEAJ-KRWDZBQOSA-N 335.432 2.879 30 40 EFEB CC1=CC(=O)[C@@H](C(=O)/C=C/c2ccc(Br)cc2)C(=O)O1 22200977 UUHNHXIWFJXSJD-BTKRWWFXSA-N 335.153 2.677 30 40 EFEB C=CCN(Cc1ccc(Cl)s1)Cn1nc2ccccn2c1=O 28706380 KYXRTCAAPUBLCV-UHFFFAOYSA-N 334.832 2.857 30 40 EFEB COc1cc(Cl)c(NCC(=O)N[C@@](C)(C#N)C(C)C)cc1OC 11100386 SMYWSMDOVRHCGT-INIZCTEOSA-N 339.823 2.824 30 40 EFEB N#Cc1ccc(COC(=O)c2ccc3c(c2)NC(=O)[C@H]2CCCN32)cc1 3412623 XZKPCOXFNVRCIU-GOSISDBHSA-N 347.374 2.836 30 40 EFEB CN(C)/C=N/c1ncc2c3ccccc3n(CCN(C)C)c2c1C#N 4082815 YITHKOBKHNYAFH-LPYMAVHISA-N 334.427 2.844 30 40 EFEB COc1ccc(C)cc1C(=O)c1sc2nc(N)c(C#N)cc2c1N 69622331 FQFJASVEMHYIFZ-UHFFFAOYSA-N 338.392 2.880 30 40 EFEB CCN(C(=O)c1cccc(C#N)c1)[C@H]1CCN(c2ccccc2)C1=O 69737147 DRBVAMQRLDHWBS-SFHVURJKSA-N 333.391 2.826 30 40 EFEB C=CCOc1ccc(/C=C2/C(=O)N(C)C(=S)N2C)cc1OCC 409043501 MQZCMCAUVYJSEI-RAXLEYEMSA-N 332.425 2.680 30 40 EFEB O=C1[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)N1N=Cc1cccc(C(F)(F)F)c1 409409827 XORAUGIPTXNRHM-AUZPSNTRSA-N 334.297 2.846 30 40 EFEB N#C[C@]1(CO)[C@@H](S(=O)(=O)c2ccccc2)[C@@H]1c1cccc(Cl)c1 218363802 IOGHZKOBTKSAEG-YESZJQIVSA-N 347.823 2.782 30 40 EFEB C[C@H](Cn1nc(-c2ccco2)ccc1=O)C(=O)Nc1ccccc1C#N 61984071 KRMRHHNGCSRDBJ-CYBMUJFWSA-N 348.362 2.650 30 40 EFEB C=CCN1CC[C@]2(CN(C(=O)c3ccc[nH]3)C[C@H]2c2ccccc2)C1=O 96201897 IAAOELGEINIZJR-LAUBAEHRSA-N 349.434 2.659 30 40 EFEB CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)c1ccc(O)cc1F 97232809 BAFJKDGRJFXNSF-UHFFFAOYSA-N 341.386 2.607 30 40 EFEB C[C@H]1C[C@H](CO)CN(c2nc3c(c(C#N)c2C#N)CCCCCC3)C1 584832586 QSOWAQFBSNEZOS-GJZGRUSLSA-N 338.455 2.939 30 40 EFEB COc1ccc([C@H]2NC(=O)c3cccnc3N2)cc1OCCCC#N 69439010 GCFWNWNPSAHQFD-MRXNPFEDSA-N 338.367 2.627 30 40 EFEB COc1cccc(/C=N/c2cccc(N(C)S(C)(=O)=O)c2)c1OC 19855674 ODGZLWGWMZJTMK-LDADJPATSA-N 348.424 2.850 30 40 EFEB COc1ccc(/C=C/C(=O)C2CC2)cc1Cn1cc([N+](=O)[O-])cn1 193599 SCNVEBWEFHIDSF-QHHAFSJGSA-N 327.340 2.841 30 40 EFEB COc1cccc([C@H]2C(C(C)=O)=C(O)C(=O)N2c2ccc(O)cc2)c1 273482 BCDBQNALJSJQPC-KRWDZBQOSA-N 339.347 2.890 30 40 EFEB CN(C)c1ccc([C@@H]2[C@H](C#N)C(=O)Nc3nc4ccccc4n32)cc1 9262172 SDLAUQGTNACGLK-WMLDXEAASA-N 331.379 2.784 30 40 EFEB C=CCNC(=O)COC(=O)c1cc(-c2ccco2)nc2ccccc12 3359663 XFAUIDLCKBWHGK-UHFFFAOYSA-N 336.347 2.954 30 40 EFEB CN1C(=O)N[C@@H](c2ccc([N+](=O)[O-])cc2)C2=C1CC(C)(C)CC2=O 2481371 XIMWCTJBHUYORO-HNNXBMFYSA-N 329.356 2.934 30 40 EFEB C=CCOc1c(I)cc(/C=N/O)cc1OC 13747718 BIYFPQIUNXIJHC-NTUHNPAUSA-N 333.125 2.673 30 40 EFEB N#Cc1cccnc1NC[C@@H]1CCN(c2nccc(C(F)(F)F)n2)C1 65474017 RDQXETSFEJIVTP-NSHDSACASA-N 348.332 2.700 30 40 EFEB N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)/C=C/c2ccco2)CC1 14158395 SGUCOFCZEOIQCR-LKGOPFMKSA-N 339.370 2.841 30 40 EFEB CCOC(=O)C1CCN(c2c(C#N)cnc3cc(OC)ccc23)CC1 16841753 TUCKJEVLKINGFR-UHFFFAOYSA-N 339.395 2.895 30 40 EFEB Cc1ccc(/C(N)=N/OCC(=O)N[C@@H](C)[C@H]2C[C@H]3CC[C@H]2C3)cc1 110509320 KAXVZJQZATYJGL-NXNVCVFFSA-N 329.444 2.573 30 40 EFEB N#Cc1ccc(N2CCC(NCc3cc(F)ccc3F)CC2)nc1 67010989 ZSWMWAPLWVEOQL-UHFFFAOYSA-N 328.366 2.990 30 40 EFEB Cc1cccc(C(=O)O[C@@H](C)C(=O)Nc2sccc2C#N)c1N 7189896 VZBMENAFHLXXRD-JTQLQIEISA-N 329.381 2.694 30 40 EFEB COC(=O)c1ccc(S(=O)(=O)N(CC#N)c2ccccc2)c(C)c1 95393876 OPDOUUBLCOWWRC-UHFFFAOYSA-N 344.392 2.501 30 40 EFEB C[C@@H](CC#N)Sc1ccccc1NC(=O)CSc1n[nH]c(N)n1 71888000 KNAMXCXWPQIDDL-VIFPVBQESA-N 348.457 2.512 30 40 EFEB N#Cc1ccc(CN2CCCN(C(=O)[C@@H]3C[C@@H]3c3ccco3)CC2)cc1 71835189 AFDAVNIYFBMXFN-RBUKOAKNSA-N 349.434 2.989 30 40 EFEB C[C@@H](Nc1ccc(CCN2CCCCC2)cc1)C(=O)N(C)CCC#N 71902552 ZTXDUHAMJVMXIX-QGZVFWFLSA-N 342.487 2.887 30 40 EFEB CCCCC[C@@H](O)CC(=O)O[C@H](C)C(=O)NC1(C#N)CCCCC1 72290043 KBBRPDYSMFZNKS-HUUCEWRRSA-N 338.448 2.592 30 40 EFEB C#CCOc1ccc(F)cc1NC(=O)CCNC(=O)c1cccs1 72295537 GSQSGYIXTIOLDI-UHFFFAOYSA-N 346.383 2.658 30 40 EFEB CCc1nc(SCc2cccc(C(=O)OC)c2)nc(N)c1C#N 225891651 NEUSMNPAILPJEX-UHFFFAOYSA-N 328.397 2.572 30 40 EFEB COC(=O)c1ccc(CSc2nc(N)c(C#N)c(C3CC3)n2)cc1 225894134 BHOPGEKTNJYWAO-UHFFFAOYSA-N 340.408 2.887 30 40 EFEB C/N=C(/NCCCOC[C@H]1CCOC1)NC1CC(c2ccccc2)C1 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2.869 30 40 EFEB CCN(C[C@@H](C)C#N)C(=O)c1ccccc1I 42397146 FJOCXXGFKKWENJ-JTQLQIEISA-N 342.180 2.913 30 40 EFEB N#CC1(C#N)[C@@H](c2cccnc2)O[C@]23CCCCC[C@@H]2[C@]1(C#N)C(=N)O3 102719596 PWRHDKABVDIAPR-RGCFKVTRSA-N 347.378 2.981 30 40 EFEB CC1(C)CO[C@H](c2ccccc2)CN1CC(=O)N[C@@](C)(C#N)C1CC1 69814549 FTOVRUYNOFLMEJ-PXNSSMCTSA-N 341.455 2.647 30 40 EFEB N#Cc1ccc(OC(=O)CCCN2C(=O)c3ccccc3C2=O)cc1 7658276 SZDTUYGKJGXPQG-UHFFFAOYSA-N 334.331 2.540 30 40 EFEB COC1(OC)[C@@H](/C=C/c2ccc(C)cc2)C(C#N)(C#N)C1(OC)OC 19944881 GYTCFYIQKPCWCT-OFAQMXQXSA-N 342.395 2.650 30 40 EFEB C[C@H](OC(=O)c1cccc(O)c1)C(=O)N(C)C1(C#N)CCCCC1 9752037 MPFGGHGGXKRJHE-ZDUSSCGKSA-N 330.384 2.622 30 40 EFEB CC/N=C(/NCc1ccon1)NCc1ccc(F)cc1CSC 97021813 JFNSVFITZSNJHL-UHFFFAOYSA-N 336.436 2.932 30 40 EFEB C=CCc1cc(/C=C2\SC(=O)N(C)C2=O)ccc1OCC(=O)O 408826794 SZUHEXPHUOJJEL-JYRVWZFOSA-N 333.365 2.545 30 40 EFEB Cc1cc(C[C@H](C)NC(=O)Nc2cc(C#N)ccc2OC(F)F)n[nH]1 97099395 TVUQDGFMXGLOCB-VIFPVBQESA-N 349.341 2.944 30 40 EFEB CC(C)[C@H](C#N)N1CCN(C(=O)[C@@H]2C[C@@H]2c2cc(F)ccc2F)CC1 96423656 GFKRJPYJODACSO-KYJSFNMBSA-N 347.409 2.761 30 40 EFEB Cn1ncc(C#N)c1N1CCO[C@@H](c2ccccc2C(F)(F)F)C1 596190699 XCBUSGXBSVSIPZ-CQSZACIVSA-N 336.317 2.888 30 40 EFEB COc1ccc(OC)c2c1CN(Cc1cc(C#N)ccc1F)C[C@@H]2O 30588820 KHTLXZGDTMTXDX-INIZCTEOSA-N 342.370 2.764 30 40 EFEB C#CCN1CCC(C(=O)Nc2cc(Cl)c(N)c(Cl)c2)CC1 50025888 SQLJFYBNWJXYRS-UHFFFAOYSA-N 326.227 2.859 30 40 EFEB C=CCN(C(=O)c1ccc(Cl)c(Cl)c1)[C@@H]1CCS(=O)(=O)C1 60555846 IJCJLJGOFBPTLD-LLVKDONJSA-N 348.251 2.809 30 40 EFEB CC1(C)CC(=O)C(=CNc2ccccc2N2CCOCC2)C(=O)C1 102401209 CRPYKFHKBMXCLN-UHFFFAOYSA-N 328.412 2.777 30 40 EFEB COc1ccc(/C=N/N2CCN(C)CC2)cc1OCc1ccccc1 3225350 YPQUEZFWQHELHA-RCCKNPSSSA-N 339.439 2.856 30 40 EFEB Cc1ccc([C@H](C)NC(=O)C2CCN(c3ccc(C#N)cn3)CC2)o1 44894507 NUWGCAFHJSINQW-AWEZNQCLSA-N 338.411 2.949 30 40 EFEB C=CCn1c(S[C@H](C)C(=O)N2CCCC2)nc2ccsc2c1=O 11271624 UGHPXBFJAUYBTM-LLVKDONJSA-N 349.481 2.747 30 40 EFEB C#Cc1cccc(NCc2ccccc2N2CCN(C(C)=O)CC2)c1 97146789 ZAFLKVCQKOPXGE-UHFFFAOYSA-N 333.435 2.949 30 40 EFEB C[C@@H](Oc1ccccc1C(=O)O)C(=O)N(C)C1(C#N)CCCCC1 13411766 OFBHCGHMVXKEMH-CYBMUJFWSA-N 330.384 2.837 30 40 EFEB CC(=O)NCCC(=O)[C@@H](C#N)c1nc(-c2c(F)cccc2F)cs1 69666706 QXDUCRNZOYTVKI-SNVBAGLBSA-N 349.362 2.791 30 40 EFEB CC(C)Cn1cc(C(=O)c2cc(Cl)ccc2O)cc(C#N)c1=O 14244837 SFRIBKUFBKTVTG-UHFFFAOYSA-N 330.771 2.966 30 40 EFEB C=CCNC(=O)c1ccccc1NS(=O)(=O)c1ccc(C)cc1 5764286 GGAPDZQQVVCIQW-UHFFFAOYSA-N 330.409 2.712 30 40 EFEB C=CCCO[C@H](C)C(=O)N[C@@H]1CCN(c2ccccc2Cl)C1=O 71894223 VWLVUSZRZFBUFA-TZMCWYRMSA-N 336.819 2.543 30 40 EFEB CC(=O)Nc1ccc(/C=C2/CS(=O)(=O)c3ccccc3C2=O)cc1 96792603 HTDJJUXRODBIJR-UVTDQMKNSA-N 341.388 2.699 30 40 EFEB CN1CCN(c2ccc([N+](=O)[O-])cc2/C=N/Nc2ccccc2)CC1 409006795 LADQZIQYDGAPNR-XMHGGMMESA-N 339.399 2.793 30 40 EFEB CCc1ccc([C@@H]2[C@@H](S(=O)(=O)c3ccc(C)cc3)[C@@]2(N)C#N)cc1 218458044 WJAUWXCKIULOMZ-GUDVDZBRSA-N 340.448 2.718 30 40 EFEB N#Cc1cccc(CS(=O)(=O)N(C[C@H]2CCCO2)C2CCCC2)c1 96428550 SLUMWLRYVDGMSJ-GOSISDBHSA-N 348.468 2.812 30 40 EFEB Cn1nccc1[C@@H]1OCCC[C@H]1CNc1c(C#N)nnc2ccccc12 596507075 ZBKFWUXOMKJFGL-ORAYPTAESA-N 348.410 2.815 30 40 EFEB C[C@H](CC#N)N(C)C(=O)Nc1cccc(Cl)c1N1CCOCC1 72314428 IDBFVEQRNQFRTF-GFCCVEGCSA-N 336.823 2.942 30 40 EFEB COC(=O)c1ccc(NC(=S)N/N=C/c2ccc(OC)cc2)cc1 134361 PWZNQAIKDYHZPA-WOJGMQOQSA-N 343.408 2.802 30 40 EFEB N#CC1(C#N)[C@H](C(=O)c2ccc(Cl)cc2)[C@]12CC[C@H]1CO[C@@H]2O1 12429055 YBGTXIWVFNFQLD-FAYQHZLMSA-N 328.755 2.708 30 40 EFEB C=C[C@H](O)C#CC#C[C@H](O)/C=C/CCCCCCCCOC(C)=O 14616230 VVURZXYIXNNJCG-XNTDWRONSA-N 332.440 2.751 30 40 EFEB endogenous,in-man COc1ccc(OC)c(/C=N/c2cccc(N(C)S(C)(=O)=O)c2)c1 19855745 SPMUCFNVOAIKEZ-LDADJPATSA-N 348.424 2.850 30 40 EFEB O=C1CCCC2=C1[C@H](c1cccc(Br)c1)NC(=S)N2 2601619 BXJMXKODSUWFTQ-ZDUSSCGKSA-N 337.242 2.975 30 40 EFEB COc1nc(N/N=C/c2ccc(C)cc2)nc(N2CCCCC2)n1 4480665 ZVWNVSYVAGWVGB-LDADJPATSA-N 326.404 2.625 30 40 EFEB N#CCc1ccc(NC(=O)CC2(C(=O)O)Cc3ccccc3C2)cc1 78733082 JSYKKXMHTHCQAL-UHFFFAOYSA-N 334.375 2.951 30 40 EFEB O=S(=O)(/N=C(\O)C[C@H](c1ccccc1)C(F)(F)F)c1cnc[nH]1 79101497 CVZJZBZIINKLCQ-SNVBAGLBSA-N 347.318 2.791 30 40 EFEB COc1cc(C(=O)O/N=C2/C=C(C)C(=O)C=C2C)cc(OC)c1OC 500282 ASQNBYMCDOCGTP-UYRXBGFRSA-N 345.351 2.701 30 40 EFEB C=CCNC(=O)[C@@H](C)N1CCC(Oc2ccccc2OCC)CC1 58175344 ZMTHEUFNUQJDMZ-OAHLLOKOSA-N 332.444 2.619 30 40 EFEB CCOC(=O)c1ccc(OCC(=O)N(C)C2(C#N)CCCCC2)cc1 14197945 GGVXJHBINXQFMO-UHFFFAOYSA-N 344.411 2.927 30 40 EFEB Cc1ccc(N2CCC[C@H](NCc3cc(C#N)ccc3F)C2)nn1 95351555 VGPNJOLQOIHTGB-INIZCTEOSA-N 325.391 2.554 30 40 EFEB N#CC1(C(=O)N[C@@H]2CCN(c3ccc(Cl)c(F)c3)C2=O)CCCC1 95449711 AQUXITGZQUOZSG-CQSZACIVSA-N 349.793 2.785 30 40 EFEB CCCn1nc(C(=O)Nc2ccccc2SCCC#N)ccc1=O 95953476 MFAMQQFGVPGFOB-UHFFFAOYSA-N 342.424 2.911 30 40 EFEB CC(C)(C#N)c1ccccc1COc1ccc(C(=O)NCCO)cc1 89620891 ABLOGKAVBFXSDN-UHFFFAOYSA-N 338.407 2.789 30 40 EFEB N#Cc1cccc(C(=O)N2CC[C@H]3[C@@H]2CCC(=O)N3c2ccccc2)c1 96186435 QQNFMMIIWGKPRB-OALUTQOASA-N 345.402 2.968 30 40 EFEB C=CCNC(=O)CSc1nc(-c2cc(Cl)ccc2OC)n[nH]1 13683643 PPVLMUPXQUUIID-UHFFFAOYSA-N 338.820 2.528 30 40 EFEB C=CCN(CC=C)C(=O)COC(=O)c1ccc(SCCCO)cc1 69971156 LHXROXOZJHAONZ-UHFFFAOYSA-N 349.452 2.519 30 40 EFEB CCc1nnc2n1N(C(C)=O)C(c1ccc(F)cc1)=C(C(C)=O)S2 4518266 PTGZZILMSNJEHF-UHFFFAOYSA-N 346.387 2.528 30 40 EFEB Cn1c(=O)c2ccccc2n2c(SCc3ccccc3C#N)nnc12 8780261 DVESMZIJEOTKFX-UHFFFAOYSA-N 347.403 2.745 30 40 EFEB COC[C@H](C)NC(=O)[C@H](C#N)C(=O)c1ccc(-c2ccccc2)cc1 103502978 CDUVJFJKSXSVKJ-KBXCAEBGSA-N 336.391 2.827 30 40 EFEB Cc1ccc(CCC2CCN(S(=O)(=O)N(C)CCC#N)CC2)cc1 24750168 AFYUDOCDRWYPPL-UHFFFAOYSA-N 349.500 2.730 30 40 EFEB C#CCN1CCC(C(=O)NCCSc2ccc(C)c(C)c2)CC1 58167130 DVRMFIDGSPGGGJ-UHFFFAOYSA-N 330.497 2.857 30 40 EFEB N#Cc1cccc(Cn2nc(Br)nc2Br)c1 67799178 RIWGMNVIFUDZNQ-UHFFFAOYSA-N 341.994 2.723 30 40 EFEB C=CCNC(=O)NC(=O)CSc1nc2ccccc2n1C(F)F 8778540 WGZCWKCOKRITLW-UHFFFAOYSA-N 340.355 2.535 30 40 EFEB CCN1C(=O)C(CC(=O)O)=C(C(=O)c2ccc(C)cc2)[C@H]1SC 62716307 FSQYRUFKUFORAF-QGZVFWFLSA-N 333.409 2.500 30 40 EFEB C/N=C1\S[C@@H](CC(=O)Nc2ccc(Cl)c(Cl)c2)C(=O)N1C 4714871 VOESJOWVVVVFNO-VQZCRYCJSA-N 346.239 2.882 30 40 EFEB COc1cc(C#N)ccc1OCC(=O)c1ccc2c(c1)CCC(=O)N2 8335373 SJJIZWKAGCMQMY-UHFFFAOYSA-N 336.347 2.713 30 40 EFEB CCC[C@H]1CCc2c(sc(NC(=O)COCC(=O)O)c2C#N)C1 17070719 SBFJCXFMIIDCAW-JTQLQIEISA-N 336.413 2.564 30 40 EFEB Cc1nc(NC(=O)c2ccc(-n3ncc(C#N)c3N)cc2)sc1C 69564749 VTMHAPSAVRFZQX-UHFFFAOYSA-N 338.396 2.652 30 40 EFEB N#Cc1cccnc1N1CCO[C@H](c2noc(-c3ccccc3)n2)C1 95999701 MBAVENULXVZHIY-HNNXBMFYSA-N 333.351 2.581 30 40 EFEB C=CCc1cc(CN2CCC[C@H](C(=O)OCC)C2)c(O)c(OC)c1 89983572 USRVBOORSOXSOP-HNNXBMFYSA-N 333.428 2.904 30 40 EFEB COc1ccccc1[C@@H](C)C/C(O)=N/S(=O)(=O)N1CCCCC1 96404033 ZQDLIJSCTBHUPD-ZDUSSCGKSA-N 340.445 2.876 30 40 EFEB N#Cc1ccc(N2CC[C@]3(CCN(Cc4ccccc4)C3)C2)nc1N 569589704 AUGSXXLCQRVYTI-FQEVSTJZSA-N 333.439 2.638 30 40 EFEB N#Cc1ccnc(N2CCC(COc3ccncc3Cl)CC2)n1 2298048608 XAOIGNAQYDILCE-UHFFFAOYSA-N 329.791 2.692 30 40 EFEB COC(=O)C1=C(O)/C(=C\Nc2ccc([N+](=O)[O-])cc2)C(=O)CC1(C)C 6782433 VEJHNZNSWDYJBZ-XFXZXTDPSA-N 346.339 2.875 30 40 EFEB C#CCn1/c(=N/C(=O)c2ccco2)sc2cc(OC)c(OC)cc21 101035632 MNHSSTVSFBSZJR-ZCXUNETKSA-N 342.376 2.687 30 40 EFEB C=C(Cl)CN(CCCCC)c1c(N)n(CCCC)c(=O)[nH]c1=O 40050842 XQVUYPMTHDGNCB-UHFFFAOYSA-N 342.871 2.668 30 40 EFEB CC(C)(C)OC(=O)N1CCC[C@]1(Cc1ccccc1C#N)C(=O)O 4241147 UVLXIDYUXFSJSJ-SFHVURJKSA-N 330.384 2.955 30 40 EFEB CCCC(=O)C1=C(N[C@@H](C)C(=O)O)C[C@H](c2ccccc2)CC1=O 101549125 VMAFENFKCPWJBE-JSGCOSHPSA-N 329.396 2.819 30 40 EFEB O=C1ON=C(c2cccc([N+](=O)[O-])c2)/C1=C\c1ccc2c(c1)OCO2 100481270 CUSVTLLDOCQKAB-AWNIVKPZSA-N 338.275 2.668 30 40 EFEB CC(=O)c1ccccc1/N=C1\CSc2nnc(C(F)(F)F)n2N1 44980552 PKGKTJBOZQWSFJ-UHFFFAOYSA-N 341.318 2.879 30 40 EFEB C#CC(CC)(CC)NC(=O)CSc1nnc(-c2ccoc2C)n1C 14094882 QZQRUWLEQHFSLZ-UHFFFAOYSA-N 346.456 2.784 30 40 EFEB COc1ccc(CN(C)C(=O)COc2cccc(C#N)c2)cc1F 14248771 YJLPAEZMTCLIHX-UHFFFAOYSA-N 328.343 2.743 30 40 EFEB O=S(=O)(/N=C(\Nc1nncs1)c1ccccc1)c1ccccc1 28628298 MUSCLXIKGZOKBZ-UHFFFAOYSA-N 344.421 2.786 30 40 EFEB CCc1cc(N[C@H]2CCC[C@@H]2C(N)=O)n2c(nc3ccccc32)c1C#N 75109731 HQFVAFQVSCZTLI-ZFWWWQNUSA-N 347.422 2.987 30 40 EFEB COc1ccc2[nH]cc(CCNC(=O)c3ccc(C#N)c(C)n3)c2c1 79051171 WVTTWPHCKQXWMB-UHFFFAOYSA-N 334.379 2.724 30 40 EFEB CCc1nc(C#N)c(NCCc2nc(-c3ccc(F)cc3)no2)o1 35681898 GWGLTFHAYQXTHN-UHFFFAOYSA-N 327.319 2.952 30 40 EFEB CCCS(=O)(=O)/N=C(\O)c1nn(-c2ccccc2Cl)cc1C 96487599 OMGJAEQQBIWKPT-UHFFFAOYSA-N 341.820 2.879 30 40 EFEB C=CCCC(=O)N1C[C@H](NC(=O)C(F)(F)F)CC[C@@H]1C(F)(F)F 585086064 ICWNTUUZWXOMRV-RKDXNWHRSA-N 346.271 2.553 30 40 EFEB CC(C)[C@@](C)(C#N)NC(=O)CSc1ncccc1Br 96411988 RQEJMPDQQAHNKR-CYBMUJFWSA-N 342.262 2.991 30 40 EFEB N#Cc1nc(C2CC2)oc1N1CCN(Cn2cnc3ccccc32)CC1 29169156 LOHCOLJTLIOKOT-UHFFFAOYSA-N 348.410 2.553 30 40 EFEB COC(=O)c1cc(NCC(=O)N[C@](C)(C#N)C(C)C)ccc1Cl 29942679 AHWDHJMGHCSYFS-MRXNPFEDSA-N 337.807 2.593 30 40 EFEB O=C1C[C@@H](C(=O)Nc2ccc(F)c(Cl)c2)C2=C(CCCC2=O)N1 100418189 CXBKRNMOWLQZSD-SECBINFHSA-N 336.750 2.561 30 40 EFEB C=C(C)CNC(=S)N1CCc2[nH]c3c(C(=O)OC)cccc3c2C1 46107843 BHECNNZSTNJGGP-UHFFFAOYSA-N 343.452 2.763 30 40 EFEB C#CCOc1ccccc1[C@@H](C)OC(=O)C1CCN(C(C)=O)CC1 78612902 JKHHUEBCVCUYAO-CQSZACIVSA-N 329.396 2.561 30 40 EFEB Cc1occc1CN(C)CC(=O)Nc1c(C#N)cnn1-c1ccccc1 58246721 UTKGHSSMBCSQMY-UHFFFAOYSA-N 349.394 2.716 30 40 EFEB C=CCN(Cc1nc(O)c2cnn(C)c2n1)[C@@H]1CCc2ccccc21 65422330 SBSSFPVLODEGHZ-MRXNPFEDSA-N 335.411 2.744 30 40 EFEB N#Cc1nc(NC(=O)/C=C(/c2ccccc2)C(F)(F)F)[nH]c1C#N 96258962 JHZKTVDPKAXWLS-POHAHGRESA-N 331.257 2.737 30 40 EFEB CC[C@H](CC#N)NC(=O)c1csc(I)c1 93973254 RURACQBABCSXBI-MRVPVSSYSA-N 334.182 2.775 30 40 EFEB Cc1cc(/C=N/n2cnnc2)c(C)n1-c1ccc(Cl)c(C(=O)O)c1 408954486 XCYUJPYSEMKKHB-IFRROFPPSA-N 343.774 2.919 30 40 EFEB O=C(NCC#CCN1CCc2ccccc2C1)c1cc2ccccc2[nH]1 75164972 LCSGJXMBFYOAIZ-UHFFFAOYSA-N 343.430 2.959 30 40 EFEB C=CCN(C)C(=O)NC[C@@H](c1ccccc1Cl)N1CCOCC1 153706358 LVTZKAQMNUHVGL-INIZCTEOSA-N 337.851 2.541 30 40 EFEB Cc1c(CN[C@@H](CN2CCCC2=O)c2ccccc2)cc(C#N)n1C 40120198 DHZOSOPPNLGOQS-IBGZPJMESA-N 336.439 2.659 30 40 EFEB C=CCSc1nnc(NC(=O)COc2ccc(C#N)cc2)s1 2627715 TXERYERGWZRSEV-UHFFFAOYSA-N 332.410 2.705 30 40 EFEB N#Cc1cccc(CNC(=O)NC[C@@H](O)c2ccc(Cl)s2)c1 78940388 FYLPYTLTMRVKRG-GFCCVEGCSA-N 335.816 2.806 30 40 EFEB C=CCOc1cccc(NS(=O)(=O)c2ccc3c(c2)OCCO3)c1 52411089 QJUNYLDWEXHHND-UHFFFAOYSA-N 347.392 2.823 30 40 EFEB N#Cc1ccccc1S(=O)(=O)N1CCC[C@H]1Cc1ccccc1 24474258 OOOWWAJJDYHQIX-KRWDZBQOSA-N 326.421 2.954 30 40 EFEB N#Cc1ccc(OC[C@@H](O)CNCc2nc3ccccc3s2)cc1 44866766 VSPANXQNXKIQNF-AWEZNQCLSA-N 339.420 2.697 30 40 EFEB N#CC1(NC(=O)CNc2cc3c(cc2Cl)OCCCO3)CCCC1 58333028 SBMQKODYQZFYDH-UHFFFAOYSA-N 349.818 2.866 30 40 EFEB COc1cccc(/C=N/Nc2nnc3c(n2)[nH]c2ccccc23)c1OC 13638122 IIIPWXKOSQOHTM-VXLYETTFSA-N 348.366 2.969 30 40 EFEB C=CCOC(=O)c1nnc2c(-c3ccc(OC)cc3)c(C)nn2c1C 20633608 IUWWTXSWCVTWKE-UHFFFAOYSA-N 338.367 2.760 30 40 EFEB CC1(C)CO[C@H](c2ccccc2)CN1CC(=O)NC1(C#N)CCCC1 66897319 QTJWGANWXPNBEG-KRWDZBQOSA-N 341.455 2.791 30 40 EFEB NC1=C(c2nc3ccccc3[nH]2)C(=O)CN1Cc1ccc(Cl)cc1 7424992 GRUGVJPJBRNBPW-UHFFFAOYSA-N 338.798 2.929 30 40 EFEB C#CCN1CCC(C(=O)Nc2nc(-c3cccc(O)c3)cs2)CC1 71916734 YKOLEDVLFMPJLZ-UHFFFAOYSA-N 341.436 2.799 30 40 EFEB CN(C)CCN(Cc1ccc(F)cc1)C(=O)c1cc(C#N)cs1 84110650 IJAUYOPWSZSUKH-UHFFFAOYSA-N 331.416 2.963 30 40 EFEB Cc1nc2n(n1)[C@@H](c1ccccc1[N+](=O)[O-])C1=C(C[C@H](C)CC1=O)N2 22608061 PTXSXZYJBXUNTQ-FVMDXXJSSA-N 339.355 2.763 30 40 EFEB CCCN(C)S(=O)(=O)/N=C(\O)CCc1cn(C)c2ccccc12 89955536 AVWVXIVORPZVRY-UHFFFAOYSA-N 337.445 2.654 30 40 EFEB NC(=O)COc1ccc(/C=N\Nc2ccc(Br)cc2)cc1 409211734 OCHHXPQTTYCVEW-NVMNQCDNSA-N 348.200 2.759 30 40 EFEB Cc1ccc(S(=O)(=O)[C@@H]2[C@H](C#N)[C@@H]2c2ccc3c(c2)OCO3)cc1 218166639 DJNZMLGMGAHQDY-FHLIZLRMSA-N 341.388 2.803 30 40 EFEB CC(C)(C)OC(=O)NC1CCN(C(=O)c2ccc(C#N)cc2)CC1 47524074 YLNCNSJMIRYSBO-UHFFFAOYSA-N 329.400 2.688 30 40 EFEB C=CCOc1ccc(NC(=O)C2(NC(=O)c3cccs3)CC2)cn1 225929904 ZNJGVXRMMMNZSP-UHFFFAOYSA-N 343.408 2.609 30 40 EFEB CCOc1ccc(Br)cc1NCC(=O)N(C)CCC#N 95410310 BZEDSUTZVDTDRK-UHFFFAOYSA-N 340.221 2.632 30 40 EFEB Cc1cc(F)c(S(=O)(=O)/N=C(\O)Cc2c(C)noc2C)cc1F 96474028 YFEDZPAHVFJCQE-UHFFFAOYSA-N 344.339 2.766 30 40 EFEB Cc1cc(C)nc(-n2cc(C(=O)OCc3ccc(C#N)cc3)c(C)n2)n1 96442034 KKYVJQSVJBRHMN-UHFFFAOYSA-N 347.378 2.816 30 40 EFEB N#CC1(COC(=O)c2sccc2Br)CCOCC1 97235815 OVHUFAZPLCBDQQ-UHFFFAOYSA-N 330.203 2.988 30 40 EFEB COc1cc(C#N)ccc1CN1CCC[C@@H]1c1ccc(N(C)C)nn1 591625580 SXEUNLUFBALWBF-QGZVFWFLSA-N 337.427 2.760 30 40 EFEB CCc1noc(C)c1C(=O)NC1(c2cccc(C#N)c2)CCOCC1 598868458 AZHUBJRFHFXIIZ-UHFFFAOYSA-N 339.395 2.853 30 40 EFEB C#CCN1CCC(C(=O)NC[C@H](C)Oc2ccccc2Cl)CC1 78226686 GGNBSQUTEALWAP-AWEZNQCLSA-N 334.847 2.569 30 40 EFEB COCCCNC(=O)[C@@H](C#N)C(=O)c1oc2ccc(Cl)cc2c1C 103502840 PCJZGGJNYMRGGK-ZDUSSCGKSA-N 348.786 2.870 30 40 EFEB C#CCOc1cccc(CN2[C@H]3CC[C@H]2Cc2c(O)nc(C)nc2C3)c1 100216185 MACAEQPCSDDUPT-IRXDYDNUSA-N 349.434 2.634 30 40 EFEB N#CCCN(C[C@H]1CCOC1)C(=O)c1ccc([N+](=O)[O-])c(Cl)c1 97162531 RAAPMWJDRREWRH-LLVKDONJSA-N 337.763 2.641 30 40 EFEB Cc1cc(C)c(C#N)c(SCCN2C(=O)c3ccccc3C2=O)n1 1920669 DPZSBAWRUQMUPG-UHFFFAOYSA-N 337.404 2.958 30 40 EFEB Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N(Cc1ccco1)C1CC1 44698607 UEDNQIBQZFVGQF-UHFFFAOYSA-N 339.395 2.580 30 40 EFEB Cc1occc1C(=O)[C@@H](C#N)c1nc(N)nc(Nc2ccccc2)n1 49393269 XSPIBKRJEQQGQX-CYBMUJFWSA-N 334.339 2.589 30 40 EFEB Cn1c([C@@H]2CCCN(C(=O)c3cccc(CC#N)c3)C2)n[nH]c1=S 69581202 SREVBERGKMSXBE-CQSZACIVSA-N 341.440 2.564 30 40 EFEB CN(CC(=O)Nc1ccc(C#N)cc1)Cc1cnn(-c2ccccc2)c1 9390117 FUJFHCSBFOJHFV-UHFFFAOYSA-N 345.406 2.814 30 40 EFEB C=CCN1C(=O)[C@@H](C)S/C1=N\S(=O)(=O)c1ccc(Cl)cc1 18084224 WOTXYJUJKKQKRL-ZVNCQBAKSA-N 344.845 2.535 30 40 EFEB C#Cc1cccc(N(Cc2ccccc2)C(=O)CCS(C)(=O)=O)c1 78480976 XSQSCNPOMUIIOD-UHFFFAOYSA-N 341.432 2.636 30 40 EFEB CC1=CC(=O)/C(=C\Nc2cccc(-c3n[nH]c(C(C)C)n3)c2)C(=O)O1 1547200836 JTZOZJMTPHFMHK-NTEUORMPSA-N 338.367 2.921 30 40 EFEB CC(C)[C@H](NC(=O)C(=O)Nc1ccc(F)c(C#N)c1)c1ccccn1 77858984 BBGXASCWYOIFRB-INIZCTEOSA-N 340.358 2.544 30 40 EFEB N#Cc1cc([N+](=O)[O-])cnc1N1CC[C@@H](COCc2ccccc2)C1 78465391 XAQSVEHWCPLVBW-OAHLLOKOSA-N 338.367 2.905 30 40 EFEB Cc1ccc(-c2nc(C#N)c(NC[C@H](C)N3CCOCC3)o2)cc1 32624737 ZCZICQAOWVYEEL-AWEZNQCLSA-N 326.400 2.654 30 40 EFEB COCCNc1ccccc1CNC(=O)NCC#Cc1ccccc1 96475525 FWXNKXNVUZOEHY-UHFFFAOYSA-N 337.423 2.596 30 40 EFEB N#Cc1ccc(/C=C/c2nc3ccccc3c(=O)n2CCC(=O)O)cc1 29736960 NYDWXKORSVBIGI-MDZDMXLPSA-N 345.358 2.913 30 40 EFEB N#C[C@H](NC(=O)c1[nH]ncc1Br)c1cccc(Cl)c1 76019494 HKNKTOIGRDQVSS-JTQLQIEISA-N 339.580 2.820 30 40 EFEB COc1cccc([C@H](C#N)NC(=O)c2cc(C(C)C)[nH]n2)c1OC 78510846 ODIJPMPWSOURQG-AWEZNQCLSA-N 328.372 2.545 30 40 EFEB Cc1nn(C)cc1/C=N\CCCCCC/N=C\c1cn(C)nc1C 4907114 QDTGZDHCSVCJAX-YZLQMOBTSA-N 328.464 2.869 30 40 EFEB C=CCOc1ccc(/C=C2\SC(=S)N(CC(=O)O)C2=O)cc1 1828804 LPGLYVDAHHUSHO-WQLSENKSSA-N 335.406 2.537 30 40 EFEB Cc1nnc(N2CCCN(Cc3ccccc3F)CC2)c(C#N)c1C 58291856 WZWRFHSLQNOYLL-UHFFFAOYSA-N 339.418 2.817 30 40 EFEB C=CCN1C(=O)/C(=C\c2ccccc2OCC)C(C(=O)OC)=C1C 408895634 UUAALWLLXSIRCP-QINSGFPZSA-N 327.380 2.944 30 40 EFEB N#Cc1ncn(CC(=O)Nc2ccccc2Sc2ccccc2)n1 14143099 MJKHDGOSZJEHOH-UHFFFAOYSA-N 335.392 2.940 30 40 EFEB CCNC(=O)C[C@@H]1S/C(=N/N=C(\C)c2ccc(C)cc2)N=C1O 4690099 LKOGYDUUSDDGMR-MDBUFAAASA-N 332.429 2.673 30 40 EFEB N#Cc1ccc(N[C@H]2CCc3nnc(-c4ccc(F)cc4)n3C2)nc1 96002416 MEHYQVALXTUYCY-HNNXBMFYSA-N 334.358 2.778 30 40 EFEB C[C@H]1CCCC[C@@H]1OCCNc1ncnc2c1cnn2CCC#N 97200184 YKCAJAFPBBPXLP-ZFWWWQNUSA-N 328.420 2.747 30 40 EFEB Cc1cc(S(=O)(=O)/N=C(\O)c2c[nH]c(C#N)c2)c(Cl)cc1F 97049089 CGKIXKJLZSSBEI-UHFFFAOYSA-N 341.751 2.681 30 40 EFEB Cn1c(NS(=O)(=O)Cc2ccc(C#N)cc2)nc2cc(F)ccc21 97035112 YDSACFHVUVMHHS-UHFFFAOYSA-N 344.371 2.526 30 40 EFEB CS(=O)(=O)CC1(CNc2ccc(C#N)c(C(F)(F)F)c2)CC1 95972069 WBIDVQJGFYVKAA-UHFFFAOYSA-N 332.347 2.814 30 40 EFEB CC(C)(C)C(=O)N1CCC(C(=O)OCc2cccc(C#N)c2)CC1 24280886 WGAAATJCHWEGGW-UHFFFAOYSA-N 328.412 2.886 30 40 EFEB O=C1[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)N1N=Cc1ccccc1Br 409404857 FDMGTWPAVBFQCU-TXFQPVFDSA-N 345.196 2.590 30 40 EFEB C=CC/N=C1/S[C@@H](CC(=O)Nc2ccccc2F)C(=O)N1CC=C 17085103 LRQMODSZXFGXFI-HMWBCQRISA-N 347.415 2.826 30 40 EFEB CCc1ccc2nc(SCC(=O)N3CCOCC3)c(C#N)cc2c1 416653 NIEHYKNLVFHRSA-UHFFFAOYSA-N 341.436 2.620 30 40 EFEB CCn1cc(C(=O)Nc2cccc(C#N)c2)c(=O)c2ccc(C)nc21 2726383 JRSNQRITWFBJPN-UHFFFAOYSA-N 332.363 2.849 30 40 EFEB CC(C)(C#N)CCC[S@@](=O)c1ccc(C(=O)N2CCCC2)cn1 78987540 OMXWYCZIXLBSMP-QHCPKHFHSA-N 333.457 2.755 30 40 EFEB COP(=O)(OC)[C@@H](O)C(F)(F)C(F)(F)C(F)(F)C(F)F 3203609 WBLCJLSTEBOHIV-SCSAIBSYSA-N 340.103 2.962 30 40 EFEB N#Cc1ccccc1N1CCCN(C(=O)c2ccc3c(c2)CCO3)CC1 46850538 YRHXMEUFNWBFHP-UHFFFAOYSA-N 347.418 2.846 30 40 EFEB CCCCCCCCNC(=O)CCC(=O)N(CCC#N)CCC#N 100932709 BNSUZZMXZXZOBJ-UHFFFAOYSA-N 334.464 2.899 30 40 EFEB CC(=O)C1=C(O)C(=O)N(c2ccccc2)[C@H]1c1ccc2c(c1)OCO2 1413147 HFSONLDXTKRZAI-KRWDZBQOSA-N 337.331 2.904 30 40 EFEB CN(CCC#N)S(=O)(=O)N(C)Cc1ccc(-c2ccccc2)cc1 56107923 FINSJORRAOCEHZ-UHFFFAOYSA-N 343.452 2.876 30 40 EFEB COC(=O)C1=C(c2ccccc2)NC(=S)N[C@H]1c1ccc(C#N)cc1 105093667 BFZJJYPUUCHZBD-KRWDZBQOSA-N 349.415 2.661 30 40 EFEB COc1ccc([C@H]2CCN(S(=O)(=O)c3cccc(C#N)c3)C2)cc1 58180142 CYPKZEXTROZQET-INIZCTEOSA-N 342.420 2.745 30 40 EFEB CC(=O)N[C@H]1CCCN(c2c(C#N)cnc3ccc(Cl)cc23)C1 95407778 ZMPAOWYPDKFBHN-AWEZNQCLSA-N 328.803 2.865 30 40 EFEB N#Cc1c(Cl)nsc1NCCCN1C(=O)COc2ccccc21 78369999 XTNULBWQZGQOJW-UHFFFAOYSA-N 348.815 2.896 30 40 EFEB N#Cc1cc(F)ccc1N1CCN(Cc2nccn2C(F)F)CC1 80677235 CRCPDSKKMJBEAN-UHFFFAOYSA-N 335.333 2.611 30 40 EFEB C=CCN(c1ccccc1OC)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 225025568 PJUIHNHPOFVSNK-UHFFFAOYSA-N 348.380 2.985 30 40 EFEB CCC[C@@H](C(=O)N1CCC(Oc2ccc(C#N)cc2)CC1)N(C)C 95449403 FCTUFMYAMCHAQC-SFHVURJKSA-N 329.444 2.658 30 40 EFEB Cc1cc(C(=O)N2CCOCC2)ccc1NCc1ccc(C#N)cc1 96489286 UAMNOWDZGXYKCS-UHFFFAOYSA-N 335.407 2.951 30 40 EFEB CCn1nc(C)c(S(=O)(=O)N(CCC#N)c2cccc(C)c2)c1C 96423542 KWJWCQCDZXJHSH-UHFFFAOYSA-N 346.456 2.937 30 40 EFEB C=CCN1CCC[C@@]12CCCN(S(=O)(=O)c1cccc(F)c1)C2 96214818 VOYDWUSWIKSHQL-KRWDZBQOSA-N 338.448 2.631 30 40 EFEB C[C@H](CC#N)N(C)S(=O)(=O)c1cccnc1Oc1ccc(F)cc1 585142121 PJACVTLSXLSPLJ-GFCCVEGCSA-N 349.387 2.936 30 40 EFEB C=C(Br)CN1CCN(CC(=C)Br)[C@H](C)C1 95972704 IJHVEDMXFHAYOC-LLVKDONJSA-N 338.087 2.810 30 40 EFEB CCOc1ccccc1N1CC(=O)C(c2nc3ccccc3[nH]2)=C1N 5012164 FTXTUQZYTNEGBF-UHFFFAOYSA-N 334.379 2.678 30 40 EFEB C=CCN1C(=O)CCC12CCC(NC(=O)c1ccc(CC)nc1)CC2 1565556535 NBEGTFKYAHWDHW-UHFFFAOYSA-N 341.455 2.864 30 40 EFEB N#C[C@H](C(=O)[C@H]1CC(=O)N(C2CCCC2)C1)c1nc2ccccc2o1 41544778 WCUWBPVHQRFRFM-GXTWGEPZSA-N 337.379 2.795 30 40 EFEB COc1ccc(C(=O)N(C)C)cc1NC(=O)/C=C/c1ccc(C#N)cc1 55840813 KNLOVBOQCOTHHL-DHZHZOJOSA-N 349.390 2.921 30 40 EFEB C[C@@H](NC(=O)CNc1cccc(C#N)c1)c1ccc2c(c1)OCCO2 25603511 PFINIJHQJNQNTR-CYBMUJFWSA-N 337.379 2.619 30 40 EFEB COc1cc(/C=N/N2CCOCC2)ccc1OCc1ccccc1 3249626 OZEUFUXAMRWUMQ-XSFVSMFZSA-N 326.396 2.940 30 40 EFEB CCc1c(/C(O)=N/c2nc(-c3ccccn3)n[nH]2)[nH]c(C)c1C(C)=O 58289295 UNXUGYGYNDUIJK-UHFFFAOYSA-N 338.371 2.905 30 40 EFEB Cc1cc(NCCCc2nn3c(C)cc(C)nc3c2C#N)nc(C)n1 44975650 QEDVRMAWOIHNPH-UHFFFAOYSA-N 335.415 2.669 30 40 EFEB C=CCN(Cc1ccccc1)C(=O)Cn1c(S)nnc1CCC 58367131 ZCUVKVNETWUYDE-UHFFFAOYSA-N 330.457 2.734 30 40 EFEB Nc1ncnc(N/N=C/c2ccc(Cl)cc2Cl)c1[N+](=O)[O-] 4063176 RQTVURRRDLWOOK-HAVNEIBRSA-N 327.131 2.720 30 40 EFEB C[C@H](OC[C@H]1CCCO1)/C(O)=N/S(=O)(=O)c1cccc(Cl)c1 69282958 CPUWALFULUAOEE-CMPLNLGQSA-N 347.820 2.569 30 40 EFEB Cc1ccccc1C1(CNC(=O)C(=O)Nc2cccc(C#N)c2)CC1 69591912 GKZQIZIBNPZFBC-UHFFFAOYSA-N 333.391 2.653 30 40 EFEB N#Cc1ccc(SCCC(=O)NCCN2CCCCCC2=O)cc1 69776991 ULIRSSBXGWWKDR-UHFFFAOYSA-N 345.468 2.559 30 40 EFEB CSc1c(C#N)c(NC(=O)[C@H]2CCCO2)nn1-c1ccccc1 28232401 JJRWDHHRHQIXEX-CYBMUJFWSA-N 328.397 2.583 30 40 EFEB C=CCNS(=O)(=O)c1ccc(NC(=O)c2ccccc2)c(C)c1 408611870 XEXVBNCCTLNDDX-UHFFFAOYSA-N 330.409 2.712 30 40 EFEB C=C(C)CN1CCC(NC(=O)N2CCS[C@@H](C(C)C)C2)CC1 96439937 KPUNBQRYJHHESZ-MRXNPFEDSA-N 325.522 2.810 30 40 EFEB Cc1cc(C#N)cc(NS(=O)(=O)c2ccc(OC(C)C)cc2)n1 585128419 AREUCUZHOIPBNA-UHFFFAOYSA-N 331.397 2.850 30 40 EFEB N#Cc1cccc(CN2CCN(Cc3cn4ccccc4n3)CC2)c1 69439545 CHSPLRJVSVSGRE-UHFFFAOYSA-N 331.423 2.524 30 40 EFEB C=CCc1cc(/C=N/n2cnc3ccccc3c2=O)cc(OC)c1O 8109024 NLBSJSWJKXOVRO-SRZZPIQSSA-N 335.363 2.721 30 40 EFEB CNC(=N)N/N=C(\c1ccccc1)c1ccc(Br)cc1 1572547 SOFUQTGDLLAPQE-XMHGGMMESA-N 331.217 2.945 30 40 EFEB N#Cc1ccc(NC(=O)N2CCNC(=O)C[C@H]2c2ccccc2)cc1 40554332 VZOQVKJSBDQBQR-KRWDZBQOSA-N 334.379 2.653 30 40 EFEB Cc1nonc1NC(=O)CSc1nc2c(C)cccc2cc1C#N 410791 YDPGMPOHYJUTSZ-UHFFFAOYSA-N 339.380 2.837 30 40 EFEB N#Cc1ccc(-c2cccnc2)n(CC(=O)c2ccc(F)cc2)c1=O 4931801 CLAVFDDGBXEJIA-UHFFFAOYSA-N 333.322 2.804 30 40 EFEB C[C@@]1(C(=O)NCCNc2cccc(F)c2C#N)CC1(Cl)Cl 42104788 PXTIDTOCSUTJAN-ZDUSSCGKSA-N 330.190 2.809 30 40 EFEB Cc1ccoc1C(=O)NC1CCN(c2ccc(C#N)cc2F)CC1 58331467 OGTQZAJBYKOAOT-UHFFFAOYSA-N 327.359 2.998 30 40 EFEB CC(C)(C)OC(=O)N[C@@H]1C=C(I)C(=O)CC1 36433738 CPCNGHYSAZBCFA-ZETCQYMHSA-N 337.157 2.562 30 40 EFEB Cc1cccc(-c2nc(NC(=O)c3ccc(C#N)cc3)n[nH]2)c1[N+](=O)[O-] 69780413 MJKBSWMNNMLINK-UHFFFAOYSA-N 348.322 2.812 30 40 EFEB CCC[C@H](C#N)NC(=O)[C@@H](C)n1c(S)nnc1-c1cccs1 65591098 ZXVVGMDECPTKOF-NXEZZACHSA-N 335.458 2.665 30 40 EFEB C=CCN/C(S)=N/N=C\c1ccc(OC)c(Br)c1 5453738 OEOOCQAPHHDGNI-NVNXTCNLSA-N 328.235 2.853 30 40 EFEB COc1cc(/C=N/Nc2ccc([N+](=O)[O-])cc2)ccc1OCC#N 4739162 DGWSEEIIMKUTND-WOJGMQOQSA-N 326.312 2.952 30 40 EFEB C[C@H](OC(=O)c1ccc([N+](=O)[O-])cc1)C(=O)Nc1cccc(C#N)c1 5966539 HWLIUNDWWIYWFO-NSHDSACASA-N 339.307 2.650 30 40 EFEB N#CCNC(=O)CN[C@@H](c1ccc(Br)cc1)C1CCC1 95984554 XHCRDAFGWQPLJQ-OAHLLOKOSA-N 336.233 2.520 30 40 EFEB CCSc1nncn1/N=C/c1ccc(OC(F)F)c(OC)c1 36611382 DMSFZWKFZHCBGT-REZTVBANSA-N 328.344 2.882 30 40 EFEB CCN(CC)S(=O)(=O)/N=C(\O)[C@@H]1C[C@H]1c1ccc(Cl)cc1 78984755 HICHGRUROZQQSM-QWHCGFSZSA-N 330.837 2.987 30 40 EFEB CCCS(=O)(=O)N1CCC(COCc2ccc(C#N)cc2)CC1 75156606 YZBXJBDKJUNVON-UHFFFAOYSA-N 336.457 2.527 30 40 EFEB C=C(C)Cn1nc(SC)n2c(=O)c3c4c(sc3nc12)CCC4 40287613 SKOKULHAIHVWEC-UHFFFAOYSA-N 332.454 2.892 30 40 EFEB C=CCN1CCC(NC(=O)c2cc(C)ccc2N2CCCC2)CC1 96408446 IAWKIOXEOSWVJI-UHFFFAOYSA-N 327.472 2.975 30 40 EFEB CC(C)Nc1nc(-c2ccccc2)nc2c1CCN(C(=O)CC#N)CC2 96083849 PTLAMXCFCDDKQZ-UHFFFAOYSA-N 349.438 2.805 30 40 EFEB C=CCN1CCC[C@]12CCCN(C(=O)Cc1cccc(OC)c1)C2 96214749 XZXYMMNTUAKNOO-FQEVSTJZSA-N 328.456 2.881 30 40 EFEB O=C(/C=C/c1ccccc1)C(=O)N1CC[C@@H]2[C@H](CCCN2C2CC2)C1 1615614682 QQVWVRJPOBMWDF-HKSATOIVSA-N 338.451 2.744 30 40 EFEB O=c1c2cnc3c(-c4ccc(F)cc4)cnn3c2ccn1CCS 40396545 ODNHTZQERYEMCM-UHFFFAOYSA-N 340.383 2.780 30 40 EFEB C=CCc1cc(CNC(=O)N2CCC[C@@H](OC)C2)cc(OC)c1OC 69739721 VOYNJVPQURDUPV-MRXNPFEDSA-N 348.443 2.753 30 40 EFEB N#C[C@@H](C(=O)COc1ccc(Cl)cc1Cl)C(=O)N1CCCC1 103502525 ALWQARLOMXLOHW-NSHDSACASA-N 341.194 2.703 30 40 EFEB COc1cccc(C(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)c1 23701728 JISYVTOKGFHOTA-UHFFFAOYSA-N 335.407 2.525 30 40 EFEB O=C1Nc2c(cc(Cl)cc2[N+](=O)[O-])N/C1=C/C(=O)c1ccccn1 104238035 TYCLBVRTOSNOBE-YRNVUSSQSA-N 344.714 2.774 30 40 EFEB CC(C)N(C)C(=O)[C@H]1CCCN(C(=O)Nc2ccc(C#N)cc2)C1 65537234 BOEIKAQSBHVIRV-HNNXBMFYSA-N 328.416 2.669 30 40 EFEB COc1cccc(NS(=O)(=O)/N=C(\O)c2c[nH]c3ccccc23)c1 6757629 DBRPXLOOPZYVES-UHFFFAOYSA-N 345.380 2.838 30 40 EFEB Cn1cc(/C=C2/Oc3cc(OCC(N)=O)ccc3C2=O)c2ccccc21 9422910 CXKZLCBCLASRJN-QGMBQPNBSA-N 348.358 2.659 30 40 EFEB Cc1ccc(OCC/C(O)=N/S(=O)(=O)C[C@@H]2CCCCO2)cc1 71892438 OQBUFWLTBNZGRR-HNNXBMFYSA-N 341.429 2.619 30 40 EFEB C=CCN(C)Cc1ccc(C(=O)NCc2c(C)cc(C)[nH]c2=O)cc1 71904527 JXYLJRZWGAZVGV-UHFFFAOYSA-N 339.439 2.540 30 40 EFEB Cc1c(Br)cccc1NCC(=O)N(CCC#N)CCC#N 95414059 RAULPDIFNOGJQF-UHFFFAOYSA-N 349.232 2.825 30 40 EFEB C/C(O)=C1/C(=O)[C@@H]2[C@H]3c4c[nH]c5cccc(c45)C[C@H]3C(C)(C)N2C1=O 110970687 CNZIQHGDUXRUJS-CIGIFLASSA-N 336.391 2.828 30 40 EFEB Cc1ccc(N=C[C@@H]2C(=O)NC(=O)N([C@H]3C[C@H]4CC[C@H]3C4)C2=O)cc1 408527562 OVHWNYTXEUQLTK-UGQVUOCMSA-N 339.395 2.581 30 40 EFEB COc1ccc(OC)c([C@H]2[C@H]3CCCC[C@]3(O)CCN2CC#N)c1 33324157 QMJFUVFWXGMIAN-NEWSRXKRSA-N 330.428 2.895 30 40 EFEB Cc1cc2cc(C(=O)NS(=O)(=O)CC3(C#N)CCC3)oc2cc1C 195572741 DDLVNOKGJAYCHY-UHFFFAOYSA-N 346.408 2.803 30 40 EFEB C/N=C(C(=N/Nc1cccc(C(F)(F)F)c1)/[N+](=O)[O-])\N1CCCC1 5184534 HIXLYMALBXWOPN-CKBZXIGASA-N 343.309 2.832 30 40 EFEB C=CCNC(=O)C1(C[C@@H]2CC(c3cccc(F)c3)=NO2)CCOCC1 12365937 RMUSJDFPJGIPMQ-INIZCTEOSA-N 346.402 2.808 30 40 EFEB Cc1nc(C)c(F)c(OCC2CCN(c3cc(C#N)ccn3)CC2)n1 1888863834 CTRHPUJUXAEHFC-UHFFFAOYSA-N 341.390 2.795 30 40 EFEB N#Cc1c2n(c(=S)n(-c3ccccc3[N+](=O)[O-])c1=O)CCCCC2 2637969 FLQPDZNXDBPEPH-UHFFFAOYSA-N 342.380 2.875 30 40 EFEB C=CCNC(=O)c1cc2c(n(-c3ccc(C)cc3)c1=O)CCCC2=O 2809796 OSNLICVXFXFZHB-UHFFFAOYSA-N 336.391 2.581 30 40 EFEB C=C(C)CSc1nc2cc(S(N)(=O)=O)ccc2n1CCC 6979139 YFTCMMNFKSPZCR-UHFFFAOYSA-N 325.459 2.762 30 40 EFEB CCOc1ccc(-c2nc(C#N)c(N3CCN(CC)CC3)o2)cc1 536194 BLLUIYGRSUOGLF-UHFFFAOYSA-N 326.400 2.754 30 40 EFEB Cc1c(N2CCN(c3nccs3)CC2)cc(C#N)cc1[N+](=O)[O-] 42110113 PGAVGXDTYGKTPE-UHFFFAOYSA-N 329.385 2.558 30 40 EFEB CN(C)c1ccc(/C=N/Nc2nn3cnnc3c3ccccc23)cc1 1250821 RSIBMKOYLJIWLH-YBFXNURJSA-N 331.383 2.790 30 40 EFEB N#Cc1ccc(N2CCC(C(=O)NCc3ccccc3F)CC2)nc1 25282489 LVEOEEVLMZDIPN-UHFFFAOYSA-N 338.386 2.625 30 40 EFEB Cc1ccc(/C(N)=N/OCC(=O)N[C@H](C)[C@@H]2C[C@@H]3CC[C@@H]2C3)cc1 102887338 KAXVZJQZATYJGL-SRABZTEZSA-N 329.444 2.573 30 40 EFEB COc1cccc(/N=C2/CSc3nnc(C(F)(F)F)n3N2)c1 27028822 UZYVTIZNFCGESO-UHFFFAOYSA-N 329.307 2.685 30 40 EFEB CC[C@@H](C)N(CCOC)S(=O)(=O)c1ccc(C#N)c(Cl)c1 58175370 ROVWKGUSAIQZNL-LLVKDONJSA-N 330.837 2.647 30 40 EFEB N#Cc1cccc(CN[C@H](Cc2ccccc2)C(=O)N2CCCC2)c1 69869375 IALKWMGRMHCPCD-HXUWFJFHSA-N 333.435 2.882 30 40 EFEB C=CCn1cnnc1SCc1nc(-c2cccc([N+](=O)[O-])c2)no1 31845954 WOCALZBVRPFQNI-UHFFFAOYSA-N 344.356 2.715 30 40 EFEB COc1ccc([C@H]2[C@H](C=O)[C@@H]2S(=O)(=O)c2ccc(C)cc2)cc1 218115360 HNVVXYXHMCZPPI-BZSNNMDCSA-N 330.405 2.758 30 40 EFEB N#C[C@]1(N)[C@@H](S(=O)(=O)c2ccccc2)[C@@H]1c1ccc(Cl)cc1 218431106 SEXBEOZDBGOYQP-HRCADAONSA-N 332.812 2.501 30 40 EFEB C=CCn1c(O)c(C(=O)Nc2cc(C)ccn2)c(=O)c2ccccc21 5687843 FTRXLRNHWUGESV-UHFFFAOYSA-N 335.363 2.849 30 40 EFEB C=CCNc1nnc(SCCCn2c(=O)[nH]c3ccccc32)s1 11526645 FSLINCUOFFUNHA-UHFFFAOYSA-N 347.469 2.961 30 40 EFEB CC(C)NS(=O)(=O)Cc1ccccc1CNc1ccccc1C#N 32892677 OHGFTAGLJYXPEA-UHFFFAOYSA-N 343.452 2.998 30 40 EFEB Cc1c(NCc2ccccc2C#N)cccc1S(=O)(=O)NC1CC1 77246594 CHTAVSODZRDTIF-UHFFFAOYSA-N 341.436 2.920 30 40 EFEB C=CCOc1ccc(CN[C@H]2CCN(C(=O)C3CC3)C[C@H]2C)cc1 78898072 XEYKZEDUFODYJM-BEFAXECRSA-N 328.456 2.988 30 40 EFEB N#Cc1cccc(C(=O)NCc2ccc(Cn3ccccc3=O)cc2)c1 55623737 PDNMPXXPPSZHQX-UHFFFAOYSA-N 343.386 2.698 30 40 EFEB Cc1cc(S(=O)(=O)Nc2ncccc2C#N)c(Cl)cc1F 97164894 ZQHQZWUQGFYACL-UHFFFAOYSA-N 325.752 2.855 30 40 EFEB CCOc1ccc(S(=O)(=O)/N=C(\O)Cc2c(C)noc2C)cc1 48452054 HESNBPHFNNBQKF-UHFFFAOYSA-N 338.385 2.578 30 40 EFEB N#CCCN(Cc1ccccn1)C(=O)/C=C/c1ccc2c(c1)OCO2 69769542 JBHZOCSFLKYJOF-SOFGYWHQSA-N 335.363 2.766 30 40 EFEB Cn1cc(S(=O)(=O)/N=C(\O)CCCc2ccc(Cl)cc2)cn1 48676680 VDSAOZJCYXTXHE-UHFFFAOYSA-N 341.820 2.742 30 40 EFEB N#Cc1ccc(Cl)cc1N(CC1CC1)C(=O)CCN1CCOC1=O 65592051 SHPKELBFAHLSJL-UHFFFAOYSA-N 347.802 2.797 30 40 EFEB C[C@H](NC(=O)CO/N=C(\N)c1ccccc1)c1cc2ccccc2o1 14234629 NOQHHGPRVFRHNU-ZDUSSCGKSA-N 337.379 2.947 30 40 EFEB CC(C)(C)[C@@]1(O)CC(C(F)(F)C(F)(F)C(F)(F)F)=NN1C=O 4613932 WLRNEFJQROCZOK-QMMMGPOBSA-N 338.223 2.772 30 40 EFEB C#CCN(Cc1ccc(F)cc1)Cn1nc(C(C)(C)C)ccc1=O 66793245 AMHWRUCGFJGILE-UHFFFAOYSA-N 327.403 2.773 30 40 EFEB CC(=O)c1ccc(C#N)cc1N1CCC[C@H](Cn2nc(C)nc2C)C1 95469197 UEXMHRGHAQPENO-KRWDZBQOSA-N 337.427 2.886 30 40 EFEB COc1cc(/C=N\Nc2ccc([N+](=O)[O-])cc2)ccc1OCC(=O)O 408908137 BCKVOQCJCBIZET-MFOYZWKCSA-N 345.311 2.513 30 40 EFEB O=C(O)C[C@@H](S/C(=N\[C@H]1CC=CCC1)N1CCCCC1)C(=O)O 34798409 CAESNQJXRTYTJX-UXCNFHJLSA-N 340.445 2.598 30 40 EFEB CCn1nncc1/C(O)=N/C[C@@H]1CCCN(C)[C@@H]1c1cccs1 328832821 KWOLJEDHOYYRNU-WFASDCNBSA-N 333.461 2.747 30 40 EFEB CCOC1(OCC)N=C(N)[C@]2(C#N)[C@H](c3ccccc3Cl)[C@]12C#N 222429065 CVHHGBAXYMRGOY-BPUTZDHNSA-N 344.802 2.555 30 40 EFEB O=C1[C@H]2[C@@H]3C=C[C@@H]([C@@H]2C(=O)N1/N=C/c1ccccc1Cl)[C@@H]1C[C@H]31 222251479 UZVXTCIYZHORKC-SOACBBRWSA-N 326.783 2.727 30 40 EFEB N#CCCn1cc(C(=O)CN2CCO[C@H]3CCC[C@H]32)c2ccccc21 230117804 BRLGCVHZGZVRJN-QUCCMNQESA-N 337.423 2.991 30 40 EFEB COc1ccc(CN2CCC[C@@H]2c2ccc(N(C)C)nn2)cc1C#N 591616793 SFQYYXXRWMWXOX-QGZVFWFLSA-N 337.427 2.760 30 40 EFEB COC(=O)CCC/C=C1\SC[C@H](NC(=O)c2ccccc2)\C1=N\O 12653740 CLTIGQMRSNRISD-XQESPBTRSA-N 348.424 2.589 30 40 EFEB biogenic Cc1ccc(C(=O)C[n+]2c3n(c4ccccc42)C[C@H](O)CS3)cc1 15961552 QQYDDSPEEJGQBN-HNNXBMFYSA-N 339.440 2.587 30 40 EFEB CN(CCCOc1ccc(F)cc1)S(=O)(=O)c1cccc(C#N)c1 30441364 RRHGODJHYPAPIZ-UHFFFAOYSA-N 348.399 2.787 30 40 EFEB N#Cc1ccc(COC(=O)CCS(=O)(=O)c2ccccc2F)cc1 8521253 GWDLZQSPGUQKTR-UHFFFAOYSA-N 347.367 2.605 30 40 EFEB C=CCSc1nc(=O)c2c(n1C)NC(=O)C[C@@H]2c1ccc(F)cc1 4944601 VUMMZYPMHXFGFI-GFCCVEGCSA-N 345.399 2.672 30 40 EFEB O=C1[C@@H]2[C@@H](C(=O)N1/N=C/c1c(O)ccc3ccccc13)[C@H]1C=C[C@H]2C1 104000701 YEMOVMTVDIMIAD-ZRFBJPMCSA-N 332.359 2.686 30 40 EFEB O=C1CCCC2=C1C(C1C(=O)CCCC1=O)C1=C(CCCC1=O)O2 100361000 JNUGTFAKPDFHCA-UHFFFAOYSA-N 328.364 2.585 30 40 EFEB N#Cc1ccccc1OCc1nnnn1-c1ccc(OC(F)F)cc1 58158217 GJYUTVHSGNHCJF-UHFFFAOYSA-N 343.293 2.714 30 40 EFEB COc1ccc(NC(=O)[C@@H](C#N)Cc2cn(C)c3ccccc23)cn1 61719216 IQSYVUUTSGEEBJ-CYBMUJFWSA-N 334.379 2.903 30 40 EFEB Cc1ccc(N=C[C@H]2C(=O)NC(=O)N(c3cccc(C)c3)C2=O)cc1 408527056 JSELDBXJMFLFSP-INIZCTEOSA-N 335.363 2.905 30 40 EFEB CC(C)(O)CCN(Cc1ccco1)S(=O)(=O)c1ccc(C#N)cc1 97013596 SGLVSCITFDZFTJ-UHFFFAOYSA-N 348.424 2.503 30 40 EFEB CCC/N=C(/NCCc1nccn1Cc1ccccc1)N1CCCC1 95405072 NXOVEFJHLUEPEE-UHFFFAOYSA-N 339.487 2.925 30 40 EFEB CCC[C@@H](C#N)NC(=O)C1=NN(c2cc(C)ccc2C)C(=O)CC1 89949381 YLEYAGJDOAGMIG-AWEZNQCLSA-N 326.400 2.595 30 40 EFEB Cc1csc([C@@H](C#N)C(=O)COC(=O)c2ccc(Cl)nc2)n1 8428304 XLKXZMZHKGFCSB-JTQLQIEISA-N 335.772 2.533 30 40 EFEB CC1=CC(=O)C[C@H]2[C@]1(O)CC[C@@H](C)[C@]21C[C@H](c2ccoc2)OC1=O 36416108 DLHZVTVUHATYAU-OZJGSQETSA-N 330.380 2.950 30 40 EFEB biogenic,in-vitro COc1ccc(C(=O)NCC#CCN(C(C)C)C(C)C)cc1OC 75164450 AWNHZVATNWZEAJ-UHFFFAOYSA-N 332.444 2.556 30 40 EFEB CCCS(=O)(=O)/N=C(\O)c1cn(-c2ccc(Cl)cc2)nc1C 96442339 QPUVGPHRDCOHMA-UHFFFAOYSA-N 341.820 2.879 30 40 EFEB N#Cc1cnn(CCNc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)c1 95406100 BGWYYRUHDXHUMR-UHFFFAOYSA-N 325.250 2.794 30 40 EFEB O=[N+]([O-])c1ccc(/C=N/NC(=S)NC23CC4CC(CC(C4)C2)C3)o1 17127109 BNRMQRGHYYFDAX-RQZCQDPDSA-N 348.428 2.955 30 40 EFEB N#Cc1cccnc1N1CCN(c2ccc(-c3ccccc3)nn2)CC1 1775973302 FKQMUYYTABQOLO-UHFFFAOYSA-N 342.406 2.737 30 40 EFEB COC(=O)c1cc(NCC(=O)Nc2cccc(C#N)c2)c(F)cc1F 32803963 BWYQADFNHOUWTQ-UHFFFAOYSA-N 345.305 2.674 30 40 EFEB Cn1nc(C(=O)Nc2sc3c(c2C#N)CCCCCC3)ccc1=O 79123895 ZXRIMRRKCAYYSD-UHFFFAOYSA-N 342.424 2.625 30 40 EFEB COc1ccc(C(=O)N[C@@H](C#N)c2ccc(F)cc2F)c(OC)c1 79352434 BEQZSUGSBVPWDR-HNNXBMFYSA-N 332.306 2.977 30 40 EFEB C=CCn1c(-c2cccs2)nn([C@H]2CC(=O)[C@H]3OC[C@H]2O3)c1=S 103289898 DBLFEAPCEZCRGX-PXWWUCIGSA-N 349.437 2.584 30 40 EFEB N#CCN1CCC(CNC(=O)c2c(F)cccc2C(F)(F)F)CC1 97117404 BMRVNUPDGUWBNI-UHFFFAOYSA-N 343.324 2.810 30 40 EFEB N#CCC[C@H](C#N)CN1CCN(CCOc2ccccc2Cl)CC1 25305344 MHZVKMPKOPUFIQ-MRXNPFEDSA-N 346.862 2.780 30 40 EFEB N#Cc1ccccc1N1CCCN(Cc2nnc(-c3ccco3)o2)CC1 44937835 WUEHYYQKJZVMFM-UHFFFAOYSA-N 349.394 2.914 30 40 EFEB CCOc1ccc([C@@]2(C)NC(=O)N(Cc3ccc(C#N)cc3)C2=O)cc1 12741701 PSNXKCHYJNYFIH-HXUWFJFHSA-N 349.390 2.924 30 40 EFEB O=C1CC(c2ccc(F)cc2)CC(=O)C1=C1N[C@@H]2CCCC[C@H]2N1 9287817 GFXFPROGWMTONJ-HUUCEWRRSA-N 328.387 2.557 30 40 EFEB Cc1c(C)c(C)c(Sc2c(C#N)c(=O)n(C)c(=O)n2C)c(C)c1C 71889262 CUKPAJGQANGXME-UHFFFAOYSA-N 343.452 2.649 30 40 EFEB N#C[C@H](c1ccccc1)[C@H]1CCCN1S(=O)(=O)CC[C@@H]1CCCO1 97015046 SMZCDDMTOJBZRA-RCCFBDPRSA-N 348.468 2.657 30 40 EFEB Cc1nn(CC(C)C)c(C)c1S(=O)(=O)Nc1ccccc1C#N 97085659 QOWZEECNAJAMBV-UHFFFAOYSA-N 332.429 2.828 30 40 EFEB Cn1c(=O)n(C)c2cc(NC(=O)Nc3ccc(F)c(C#N)c3)ccc21 72282550 CFWHUAQAJLBQJM-UHFFFAOYSA-N 339.330 2.532 30 40 EFEB O=C(C[C@@H]1CC2=C(CCCC2=O)NC1=O)Nc1ccc(Cl)cc1 1548338230 MYXFSFKYYJUHPP-JTQLQIEISA-N 332.787 2.812 30 40 EFEB Cc1ccc(-n2nc(C(=O)O)c(/C=C/c3ccco3)c(C#N)c2=O)cc1 409206721 WHAZIFCNRRECMI-CMDGGOBGSA-N 347.330 2.874 30 40 EFEB CCn1cc(S(=O)(=O)N(c2ccccc2C#N)C2CCC2)nc1C 585129765 VHQKAHPWKBDCGC-UHFFFAOYSA-N 344.440 2.831 30 40 EFEB O=C(/C=C/c1ccccc1)C(=O)N1CC[C@H]2[C@@H](CCCN2C2CC2)C1 1615614687 QQVWVRJPOBMWDF-XCUKTARSSA-N 338.451 2.744 30 40 EFEB CC/N=C1\S[C@H](C(=O)Nc2cccc(OCC)c2)CC(=O)N1CC 18061516 ZQDSEQYBRDFNPG-DNZUHHBVSA-N 349.456 2.754 30 40 EFEB CC(C)Oc1ccc(C#N)cc1NC(=O)[C@H]1[C@@H](C(=O)O)[C@H]2C=C[C@H]1C2 103767867 JZFWPXOPVURGOW-CLROSIBMSA-N 340.379 2.807 30 40 EFEB C#C[C@]1(O)C[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@H](O)C[C@]2(C)C1 118926315 DUULPJDVZRLYIC-VBANPHMBSA-N 328.452 2.853 30 40 EFEB N#CCc1c(C#N)c(N)nc(NCCc2c[nH]c3ccccc23)c1C#N 25140395 LDGYBOQHNKKWPV-UHFFFAOYSA-N 341.378 2.609 30 40 EFEB CN(Cc1cccc(C#N)c1)C(=O)c1ccc(CN2CCCC2=O)cc1 25102449 CNZAJVCRUTYMBM-UHFFFAOYSA-N 347.418 2.953 30 40 EFEB COc1cc(C#N)ccc1OCC(=O)N[C@H]1CCOc2ccccc21 27497611 GTJIHZNPVLXJEM-HNNXBMFYSA-N 338.363 2.586 30 40 EFEB CCN(CC(=O)Nc1c(C#N)cnn1-c1ccccc1)C1CCCC1 58179602 PMPUVIIKBFTTIT-UHFFFAOYSA-N 337.427 2.947 30 40 EFEB C=CCc1ccc(OC[C@@H](O)CSc2nc(CC)n[nH]2)c(OC)c1 12776359 DTQCHJURUWKPHR-CYBMUJFWSA-N 349.456 2.636 30 40 EFEB C#CCOc1ccc(NC(=O)N2CC[C@H](Cc3cnn(C)c3)C2)cc1 96445972 WWENYDXKSZLUNF-OAHLLOKOSA-N 338.411 2.529 30 40 EFEB N#Cc1cccc(OCCCCC(=O)N[C@]2(C#N)CCSC2)c1 71896113 SSSQIVVXDZHGQI-KRWDZBQOSA-N 329.425 2.623 30 40 EFEB N#C[C@@H]1CCCN(c2nc(-c3ccccc3)nc3c2CCNCC3)C1 72454470 YXAJILJSXIWYOL-HNNXBMFYSA-N 333.439 2.572 30 40 EFEB N#Cc1ccc(CNC2(Cc3cc(-c4ccccn4)on3)COC2)cc1 67898242 YEEVMNOEKZKGDL-UHFFFAOYSA-N 346.390 2.710 30 40 EFEB biogenic,in-vitro COC(=O)c1cnn2c1NC1=C(C(=O)CCC1)[C@@H]2c1cccs1 44890036 QEKHNUGBDBVKPA-AWEZNQCLSA-N 329.381 2.753 30 40 EFEB Cc1cc(Br)cc(S(=O)(=O)N(C)[C@H](C)CC#N)c1 195571806 YQERKIUHFLUKDY-SNVBAGLBSA-N 331.235 2.680 30 40 EFEB N#CCCn1ncc2c(NC[C@H]3CCN(c4ccccc4)C3)ncnc21 97200220 BEUQWCYXOXBYMC-OAHLLOKOSA-N 347.426 2.678 30 40 EFEB N#Cc1nc([C@@H]2C[C@@H]2c2ccccc2)oc1NCCN1CCOCC1 96346004 ZLHNFKOGKNTSHL-HZPDHXFCSA-N 338.411 2.561 30 40 EFEB O=C(O)COC(F)(F)[C@H](F)OC(F)(F)C(F)(F)C(F)(F)F 1565660558 PMLRCZDTMRVYDU-GSVOUGTGSA-N 342.085 2.783 30 40 EFEB C#CC1(OC[C@@H](O)CN2C(C)(C)CC(O)CC2(C)C)CCCCC1 12419878 BVBWXWSNQXQSIC-KRWDZBQOSA-N 337.504 2.714 30 40 EFEB Cc1noc(C)c1CN1CCC(COc2cc(C#N)ccn2)CC1 1849382778 IGZNREYWPUMTIN-UHFFFAOYSA-N 326.400 2.849 30 40 EFEB COc1ccc(O)c(/C=N/c2c(C)n(C)n(-c3ccccc3)c2=O)c1 100496689 BHIRGSIQQKJWJG-UDWIEESQSA-N 337.379 2.949 30 40 EFEB N#CC1(NC(=O)CN(Cc2ccccc2)C[C@@H]2CCCO2)CCCC1 53230216 MEKIDENIZHPELD-SFHVURJKSA-N 341.455 2.620 30 40 EFEB C#C[C@H]1CN2CC[C@H]1C[C@@H]2CNC(=O)c1ccc(C(F)(F)F)cc1 8300581 LHNFCNYRXNCOGD-DUVNUKRYSA-N 336.357 2.779 30 40 EFEB biogenic,in-vitro N#Cc1ccc(CN2CCN(CCOc3ccc(F)cc3)CC2)cc1 22781296 FSVHZDNUWTVUOC-UHFFFAOYSA-N 339.414 2.894 30 40 EFEB CCc1ccsc1C(=O)N1CCCN(c2ncccc2C#N)CC1 55743108 SZATYLLCNDXQON-UHFFFAOYSA-N 340.452 2.930 30 40 EFEB CCC(=O)Nc1ccc(C)c(NCC(=O)N[C@@](C)(C#N)C2CC2)c1 55848427 YVSMUQZQFUVYIQ-SFHVURJKSA-N 328.416 2.564 30 40 EFEB N#Cc1ccc(OCC(=O)NCc2ncc(-c3ccccc3)[nH]2)cc1 58283150 PTRAPDNTMCKAGC-UHFFFAOYSA-N 332.363 2.644 30 40 EFEB CCOc1ccc(NC(=O)CO/N=C/c2ccc3c(c2)OCO3)cc1 3579245 SEZJKPSEDXPSPV-VXLYETTFSA-N 342.351 2.803 30 40 EFEB COc1ccc([C@H]2C3=C(CC(C)(C)CC3=O)Nc3ncnn32)cc1O 18195951 OYQICWQXSFBKOR-INIZCTEOSA-N 340.383 2.650 30 40 EFEB C#CCOc1ccc(/C=N/Nc2ccc([N+](=O)[O-])cn2)cc1OCC 4048039 QTFVHAKJEVLPHD-YBFXNURJSA-N 340.339 2.847 30 40 EFEB COC(=O)COc1cccc(/C=C2\Oc3cc(OC)ccc3C2=O)c1 13653881 GEYBXTWXGSNKPW-MFOYZWKCSA-N 340.331 2.863 30 40 EFEB biogenic Cc1c(CN2CCCN(C(=O)c3cccs3)CC2)cc(C#N)n1C 93385799 JLTJFGWVOPKIOX-UHFFFAOYSA-N 342.468 2.615 30 40 EFEB C[C@H](CC#N)Sc1ccccc1NC(=O)CSc1n[nH]c(N)n1 71888001 KNAMXCXWPQIDDL-SECBINFHSA-N 348.457 2.512 30 40 EFEB N#C[C@@]1(N)[C@H](c2ccccc2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 218055941 NLTUKCSWQLISEX-OWCLPIDISA-N 332.812 2.501 30 40 EFEB N#Cc1ccccc1NC(=O)CN1CCN(c2ccc(F)cc2)C1=O 49380472 CDIIMRHSENNDDD-UHFFFAOYSA-N 338.342 2.578 30 40 EFEB Cc1nsc(NC(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C(F)(F)F)c1C#N 574168101 IYVRPVJAQHVZEY-KYXWUPHJSA-N 331.319 2.618 30 40 EFEB CC[C@H](/C(=N/O)c1ccc(Br)cc1)S(=O)(=O)CC 96524592 OLUIQCLHOJJZKB-UWYSJPFYSA-N 334.235 2.841 30 40 EFEB C[C@H](Oc1cccc(Br)c1)C(=O)N(C)[C@H](C)CC#N 96426408 HKYTXTIOCBDNMI-MNOVXSKESA-N 325.206 2.977 30 40 EFEB C=CCc1cc(CN2CCC(n3cncn3)CC2)cc(OC)c1O 92647794 DVUDFTWZFKZFCJ-UHFFFAOYSA-N 328.416 2.558 30 40 EFEB N#C[C@@H](NC(=O)CC1(N2CCOCC2)CCCC1)C1CCCCC1 96451400 ZELRLVDMZGZHNV-QGZVFWFLSA-N 333.476 2.610 30 40 EFEB COc1ccc(/C=N/n2cnc3c([nH]c4ccc(F)cc43)c2=O)cc1 184926 WKXAPISCXMSZSH-ZVBGSRNCSA-N 336.326 2.908 30 40 EFEB O=C(C[C@@H]1S/C(=N/C2CCCCC2)NC1=O)Nc1ccccc1 12995494 QYDCRUSYDXSPCH-AWEZNQCLSA-N 331.441 2.936 30 40 EFEB C=CCOC[C@H]1CN(Cc2ccc(F)c(F)c2)Cc2nnn(CC)c21 2055747590 LGQKYXDCCGVJNZ-CQSZACIVSA-N 348.397 2.878 30 40 EFEB COc1cccc([C@H]2C3=C(CC(C)(C)CC3=O)OC(N)=C2[N+](=O)[O-])c1 51877 VXNWDCQJJOAQAJ-AWEZNQCLSA-N 344.367 2.857 30 40 EFEB C[C@@H](NC(=O)COC(=O)c1ccc(C#N)cc1)[C@H]1C[C@H]2CC[C@H]1C2 102234606 VDBXWNAMPVMQMB-NQZOLGFYSA-N 326.396 2.656 30 40 EFEB CO/N=C/Nc1nc2nccc([C@@H](C)Oc3cc(C)cc(C)c3)n2n1 3134413 JKGXYNBVLAWDIP-CYBMUJFWSA-N 340.387 2.883 30 40 EFEB Cc1oc(NC(=O)CN2CCN(c3ccccc3)CC2)c(C#N)c1C 57383261 BNRLRKXUCZIRKE-UHFFFAOYSA-N 338.411 2.529 30 40 EFEB COc1ccc(/C=N/NC(=S)N[C@@H]2C[C@@H]3CC[C@@H]2C3)cc1OC 100212672 HZWCLXYETSTGAZ-OZVPHMGDSA-N 333.457 2.690 30 40 EFEB N#Cc1ccc(OCC(=O)NCCc2nc3c(s2)CCCC3)cc1 58329259 GDYVLYVFBJXRBZ-UHFFFAOYSA-N 341.436 2.631 30 40 EFEB N#Cc1ccc(CN2CCCN(C(=O)COC3CCCC3)CC2)cc1 45014137 DWZWJBBYGVCLLS-UHFFFAOYSA-N 341.455 2.552 30 40 EFEB N#CCCN(Cc1ccco1)C(=O)CCc1nc(-c2ccco2)no1 69456967 ZRZOQBFZAVPHJU-UHFFFAOYSA-N 340.339 2.798 30 40 EFEB N#C[C@H](NC(=O)c1ccc(N2CCOC2=O)cc1)c1ccccc1F 71889067 GEUPAJIFTSVSDX-INIZCTEOSA-N 339.326 2.777 30 40 EFEB C[C@H](NC[C@@H]1C[C@H](O)CN1Cc1ccccc1)c1ccc(C#N)cc1 97034816 YVZKSRQQUGCBRF-NDXORKPFSA-N 335.451 2.844 30 40 EFEB Cc1cc(NC(=O)c2ccc(C#N)c(C)n2)ccc1C(=O)NC(C)C 78717535 GOFWNYQFPVJTLE-UHFFFAOYSA-N 336.395 2.961 30 40 EFEB CCc1ccc(/C=C/C(=O)OCC(=O)N[C@@](C)(C#N)C(C)C)cc1 7777158 RIFKOTDEXKQIOO-VYENPZKTSA-N 328.412 2.860 30 40 EFEB N#C[C@@]1(CO)[C@H](c2ccc(Cl)cc2)[C@@H]1S(=O)(=O)c1ccccc1 218364658 MLXAEWBNVQSIAH-IXDOHACOSA-N 347.823 2.782 30 40 EFEB C[C@@H](CN[C@H](C(N)=O)c1ccc(C#N)cc1)Oc1ccccc1Cl 96437224 MULXTTMCIGGDTL-SJCJKPOMSA-N 343.814 2.795 30 40 EFEB Cc1nn(CCOc2ccccc2C#N)c(C)c1[C@H]1CCCC(=O)N1 596301761 OZOKLZWVMLTBBL-MRXNPFEDSA-N 338.411 2.792 30 40 EFEB N#Cc1c(NC(=O)[C@H]2COc3ccccc3O2)sc2c1CCC2 3269143 RCCMUTOYWJGTIQ-CQSZACIVSA-N 326.377 2.887 30 40 EFEB Cc1cccc(/C(O)=N/S(=O)(=O)CCC(C)(C)C)c1[N+](=O)[O-] 84225745 QAHCJSMLTDIKOP-UHFFFAOYSA-N 328.390 2.974 30 40 EFEB Cc1cccc2c(N(C)CCCc3n[nH]c(N)c3C#N)c(C#N)cnc12 79016486 KCDLVQJZWXMBIJ-UHFFFAOYSA-N 345.410 2.661 30 40 EFEB C=CCN1C(=O)/C(=C/C=C/c2ccccc2[N+](=O)[O-])C(O)=NC1=S 446879 WCHDRNVQYYBYQK-ZOCAGLHBSA-N 343.364 2.804 30 40 EFEB N#Cc1ccccc1NC(=O)CNc1ccccc1N1CCCC1=O 12517344 PFCCZZDNAWXMEJ-UHFFFAOYSA-N 334.379 2.736 30 40 EFEB CCNC(=S)N/N=C\c1cc(C)n(-c2cccc(OC)c2)c1C 108135918 SHLHIQISZUEVQY-ODLFYWEKSA-N 330.457 2.921 30 40 EFEB COc1ccccc1[C@H]1O[C@]2(C)OC(=N)[C@]1(C#N)C(C#N)(C#N)[C@H]2C 100796118 LUFYEGVOQAFEAJ-KHXXDLOKSA-N 336.351 2.670 30 40 EFEB C#CCOc1c(Cl)cc([C@H]2N[C@H](C(=O)O)CS2)cc1OCC 408816460 TZTGFSYHILMSKS-FZMZJTMJSA-N 341.816 2.539 30 40 EFEB COc1ccc(Br)cc1/C=N/Nc1ncnc2[nH]cnc12 4106443 BEJLVNDZHYCYHP-PTXOJBNSSA-N 347.176 2.570 30 40 EFEB C[C@@H](C#N)CN(C)Cc1nnc(-c2ccc(Br)o2)o1 65494326 MCSYLGUFMSIWOO-QMMMGPOBSA-N 325.166 2.684 30 40 EFEB N#Cc1cc([N+](=O)[O-])cn(Cc2cc3ccccc3nc2Cl)c1=O 7534816 FOJQUBHVYDNDSS-UHFFFAOYSA-N 340.726 2.878 30 40 EFEB COc1cccc(CN(C)[C@@H]2CCN(c3sccc3C#N)C2=O)c1 83127788 IIIBYNIMSCWITI-MRXNPFEDSA-N 341.436 2.866 30 40 EFEB COc1cc(OC)c(OC)cc1/C=C1/CCc2c(cnn2C)C1=O 96307131 LAJWZWYNTWJUDH-XFFZJAGNSA-N 328.368 2.658 30 40 EFEB CN(C)C(=O)c1ccccc1NC(=O)N(CCC#N)Cc1ccco1 89312150 MVIQAXMMFAICHP-UHFFFAOYSA-N 340.383 2.929 30 40 EFEB COC(=O)c1ccc(N=C2NC(=O)/C(=C/c3ccncc3)S2)cc1 408821759 KDBZHQGBSSBKIP-UVTDQMKNSA-N 339.376 2.760 30 40 EFEB C=CCNC(=S)Nc1nc(Cl)cc(N2CCCCCC2)n1 225926513 FHTSYQDLPIALAK-UHFFFAOYSA-N 325.869 2.983 30 40 EFEB CC(C)CNC(=O)N1CCC[C@H](CC(=O)[C@H](C#N)c2ccccn2)C1 96422136 JWRHPOKLSCTLGG-HZPDHXFCSA-N 342.443 2.726 30 40 EFEB C=CCCS(=O)(=O)N(C)Cc1nc2ccc(C(F)(F)F)cc2[nH]1 585138108 OHCSOSXJCGCKOR-UHFFFAOYSA-N 347.362 2.919 30 40 EFEB COC[C@]1(C(N)=O)CCCN1Cc1ccc(-c2ccccc2C#N)cc1 591648462 XJUVLGWTFKTFPL-NRFANRHFSA-N 349.434 2.692 30 40 EFEB N#Cc1ccc(N2C[C@@H]3CCN(c4nc5ccccc5o4)[C@H]3C2)nc1 1889186312 WUUOQHBVNNVYMX-HOCLYGCPSA-N 331.379 2.810 30 40 EFEB N#Cc1ccc(C(=O)Nc2nnc(-c3ccc4c(c3)OCCO4)o2)cc1 4107127 GKTMQFDNIRZVQL-UHFFFAOYSA-N 348.318 2.632 30 40 EFEB COc1ccc(CN2CCCN(C[C@@H](C#N)CCC#N)CC2)cc1 106621904 ZZKNWCJITNUGQD-GOSISDBHSA-N 326.444 2.646 30 40 EFEB C=CCN(Cc1ccc(OC)cc1)C(=O)c1ccc2[nH]c(=O)[nH]c2c1 55891777 OAMSLGBTCZTAQP-UHFFFAOYSA-N 337.379 2.693 30 40 EFEB COc1cc(F)c(S(=O)(=O)Nc2ccc(C#N)cc2)cc1OC 26528471 WMWAGQVYQWFCFX-UHFFFAOYSA-N 336.344 2.515 30 40 EFEB Cn1ccnc1[C@@H](NC(=O)c1cccc(C#N)c1)c1ccccc1F 44890279 BOUYDBNTOJWMEZ-KRWDZBQOSA-N 334.354 2.950 30 40 EFEB COc1cccc(/C=C2\Oc3cc(OCC(=O)O)ccc3C2=O)c1 12890113 BMDBRLWGRLRTNU-PXNMLYILSA-N 326.304 2.775 30 40 EFEB biogenic CC(=O)C1=C(O)C(=O)N(c2ccc(C(=O)O)cc2)[C@H]1c1ccccc1 4037895 HBDFAJNGAOMTDN-INIZCTEOSA-N 337.331 2.874 30 40 EFEB CCCCCCC(=O)N(O)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1=O 5047305 ZQWLHJKRSHPQKB-CQSZACIVSA-N 336.363 2.646 30 40 EFEB N#Cc1ccccc1OCC(=O)N1CCO[C@H](c2cccc(F)c2)C1 66705143 OPVKWIHUWFOZIS-SFHVURJKSA-N 340.354 2.676 30 40 EFEB C=CCOc1ccc(/C=C2/C(=O)N(CC)C(=S)N2C)cc1OC 5979379 PGXVVOWJRWPODV-RAXLEYEMSA-N 332.425 2.680 30 40 EFEB CC/N=C(/NCC1(N[C@@H](C)c2ccccc2)CCOCC1)NC1CC1 95408855 XZFCOFGUFDRTEX-INIZCTEOSA-N 344.503 2.604 30 40 EFEB O=C(NCC#CCOc1cccc(C(F)(F)F)c1)c1ccncc1 85474068 AJIKYMABOPZLOM-UHFFFAOYSA-N 334.297 2.913 30 40 EFEB C[S@](=O)c1ccc(C(=O)OCc2cn3ccccc3c2C#N)cc1 58055784 DLVGLRHOYFZCTK-XMMPIXPASA-N 338.388 2.905 30 40 EFEB C=CC[C@@H]1N(c2ccc(Cl)cc2)C(=O)[C@@H]2[C@H](C(=O)O)[C@H]3C=C[C@@]12O3 169620160 WGDQBYXYDMCISA-FQRJBHLQSA-N 345.782 2.656 30 40 EFEB COC(=O)C[N+]1(Cc2ccccc2)CCN(Cc2ccccc2)CC1 4385794 VSVPGJHVXYFRDH-UHFFFAOYSA-N 339.459 2.692 30 40 EFEB N#Cc1cccc(CN2CCC3(CC(NC(=O)c4cccnc4)C3)C2)c1 108527422 GBONCROSGZZYKO-UHFFFAOYSA-N 346.434 2.738 30 40 EFEB C=CCn1c(C)cc(C(=O)COc2cccc(S(C)(=O)=O)c2)c1C 47364987 NNJGKSLEKJXDDU-UHFFFAOYSA-N 347.436 2.956 30 40 EFEB COc1cccc(S(=O)(=O)/N=C(\O)COc2ccccc2C)c1 58186500 NDADUHMWMFQYSE-UHFFFAOYSA-N 335.381 2.728 30 40 EFEB C[C@@H](c1nc(C2CC2)no1)N1CCN(c2ccc(C#N)cc2F)CC1 58330412 ABHVZTXHJWCEAR-LBPRGKRZSA-N 341.390 2.841 30 40 EFEB COC(=O)c1ccc(/C=N/OCC(=O)NCCC2=CCCCC2)cc1 3319816 OHCLCERLAMMFKZ-FYJGNVAPSA-N 344.411 2.830 30 40 EFEB COc1ccccc1CN(C)Cc1nc2ccccc2c(=O)n1CC#N 10897573 RJUDVDFTPNZFLT-UHFFFAOYSA-N 348.406 2.561 30 40 EFEB C=CCN(Cc1ccc(C#N)cc1)C(=O)c1ccc(-n2cccn2)nc1 65501327 KMTSHHAQYSYYOC-UHFFFAOYSA-N 343.390 2.967 30 40 EFEB C=CCNC(=S)N/N=C/c1c(Cl)nn(-c2ccccc2)c1C 4677311 FAGKRLYQWRJQBZ-VCHYOVAHSA-N 333.848 2.818 30 40 EFEB N#Cc1cccc(S(=O)(=O)Nc2cc(C(F)(F)F)ccn2)c1 97235902 MPECFLFBJLKRNN-UHFFFAOYSA-N 327.287 2.773 30 40 EFEB CC(C)(C)c1c(C(=O)NCC#N)nnn1-c1ccc(F)cc1Cl 95401843 YGZXJCIWLVIMST-UHFFFAOYSA-N 335.770 2.611 30 40 EFEB N#Cc1ccccc1NC(=O)CSc1nnc(-c2ccccn2)o1 408582114 LXAVIXJBCRNJDH-UHFFFAOYSA-N 337.364 2.734 30 40 EFEB C=CCn1nc(C)c(CCC(=O)NCCCn2nc(C)cc2C)c1C 72242953 IQICWUQOVXFZIO-UHFFFAOYSA-N 343.475 2.638 30 40 EFEB N#Cc1ccc(N2C[C@@]3(CCN(Cc4ccccn4)C3)CC2=O)cc1 96238833 LOGUQJHCAGOQSB-FQEVSTJZSA-N 332.407 2.582 30 40 EFEB C[C@H]1CCCN(S(=O)(=O)N(CCC#N)c2ccc(F)cc2)C1 96426103 MQABVSASXYZNKM-ZDUSSCGKSA-N 325.409 2.522 30 40 EFEB C=CCN(C)C(=O)Nc1cc(Br)sc1C(=O)OC 1615057733 JQTVDFNGUHVHGT-UHFFFAOYSA-N 333.207 2.947 30 40 EFEB CN(C)c1ccc(/C=N/Nc2cc(C#N)c(C#N)cc2[N+](=O)[O-])cc1 4457629 SUJWJKGKUBHPAC-RGVLZGJSSA-N 334.339 2.850 30 40 EFEB C[C@]12C[C@@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2C(=O)CO 4095972 OMFXVFTZEKFJBZ-IIJALIKYSA-N 346.467 2.667 30 40 EFEB in-vitro CCCCCCCCCC[C@H](C(=O)O)[C@@](O)(CCC(=O)O)C(=O)O 8219470 QFOFNCNFUGQWTO-DYVFJYSZSA-N 346.420 2.899 30 40 EFEB biogenic,in-vitro C[C@@H](NC(=O)c1ccc(-n2ncc(C#N)c2N)cc1)c1cccs1 58224938 XDTKIZRCOANPPJ-LLVKDONJSA-N 337.408 2.879 30 40 EFEB O=C1[C@@H]2[C@@H](C(=O)N1/N=C/c1ccc(Br)cc1)[C@H]1C=C[C@H]2C1 104407987 VRCOJNNPTOAYCX-OEOOBRRCSA-N 345.196 2.590 30 40 EFEB Cc1ccc([C@@H]2C3=C(CCCC3=O)Nc3[nH]c(=S)[nH]c(=O)c32)o1 44973873 LLVBFVOANYJPQA-GFCCVEGCSA-N 329.381 2.898 30 40 EFEB CCCCCCC(=O)N(O)[C@H]1CC(=O)N(Cc2ccccc2)C1=O 17887675 KEOOBVCBTPKRJN-HNNXBMFYSA-N 332.400 2.502 30 40 EFEB aggregator Cc1nn(C)c(C)c1[C@@H]1CCCN1CC(=O)Nc1sccc1C#N 71876647 OJTFTRLLRVHRRE-AWEZNQCLSA-N 343.456 2.746 30 40 EFEB N#Cc1ccc(N2CCC[C@@H](N3CCC[C@H](n4cccn4)C3)C2=O)cc1 97048446 NIAWOMIHSGPZAJ-RBUKOAKNSA-N 349.438 2.587 30 40 EFEB N#Cc1c(N)c(S(=O)(=O)c2ccccc2)cn1Cc1ccccc1 41154688 LGSFZINTRKSSKY-UHFFFAOYSA-N 337.404 2.823 30 40 EFEB Cc1cc(S(=O)(=O)Nc2ccc(C#N)cn2)c(Cl)cc1F 95414577 CYAJDPUZRVIDGB-UHFFFAOYSA-N 325.752 2.855 30 40 EFEB N#Cc1cc(N2CCC(CN3CCOCC3)CC2)c2ccccc2n1 96453514 SDINIXZDNCRCMI-UHFFFAOYSA-N 336.439 2.655 30 40 EFEB O=S(=O)(/N=C(\O)COc1cc(F)ccc1F)c1ccc(F)cc1 96404570 RDIKBAMPTKRLAJ-UHFFFAOYSA-N 345.298 2.828 30 40 EFEB N#CCC(=O)N1CCC[C@@H]1c1ccc(I)cc1 97097316 MDAGSHCZQLVUTJ-GFCCVEGCSA-N 340.164 2.868 30 40 EFEB CCO[C@@H]1C[C@H](Nc2nc3ncccc3cc2C#N)C12CCOCC2 596194019 IDBLMUZAFSKEGI-JKSUJKDBSA-N 338.411 2.888 30 40 EFEB NC1=NN(c2ccccc2)C(=O)/C1=N/Nc1cccc2ccccc12 5731542 MICGTJBJNVCPQC-OQKWZONESA-N 329.363 2.927 30 40 EFEB C=CCN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)NCC)c1 40160365 VUIWPOMAWHAUPJ-UHFFFAOYSA-N 344.436 2.818 30 40 EFEB CS(=O)(=O)c1ccc(CCNc2ccc([N+](=O)[O-])cc2C#N)cc1 76064073 OAPXXWIMRVTIRT-UHFFFAOYSA-N 345.380 2.525 30 40 EFEB N#C[C@@H](NC(=O)c1[nH]ncc1Br)c1ccccc1Cl 77001701 VUQMONAOWBRIIL-SNVBAGLBSA-N 339.580 2.820 30 40 EFEB O=C1[C@H]2[C@@H]3C=C[C@@H]([C@H]4C[C@H]34)[C@H]2C(=O)N1/N=C/c1c[nH]c2ccccc12 100228402 KHLAISZHHLNBQU-KKVGHXNNSA-N 331.375 2.555 30 40 EFEB CC(C)[C@](C)(C#N)NC(=O)CNc1c(F)cccc1N1CCCC1 69654536 JOCXZSZEJVFDPC-SFHVURJKSA-N 332.423 2.892 30 40 EFEB O=C1[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)N1/N=C/c1ccc(Br)cc1 104407978 VRCOJNNPTOAYCX-LLDBYHESSA-N 345.196 2.590 30 40 EFEB CC[C@@H](CC#N)NC(=O)c1csc(I)c1 93973253 RURACQBABCSXBI-QMMMGPOBSA-N 334.182 2.775 30 40 EFEB Cc1cc([C@H]2CCCN2C(=O)[C@@H](C)Oc2ccc(C#N)cc2)on1 47294343 FIAOTNBXICYDBV-CZUORRHYSA-N 325.368 2.986 30 40 EFEB CCCCCNC(=O)[C@H](C#N)C(=O)[C@@H]1C[C@]12CCOc1ccccc12 108090868 VXWPQJWBQIVFCZ-IIMJZQEZSA-N 340.423 2.742 30 40 EFEB CCOc1ccc(N(CCC#N)C(=O)c2ccc3nnn(C)c3c2)cc1 97112694 MFAHTPQAAVLTJF-UHFFFAOYSA-N 349.394 2.927 30 40 EFEB Cc1cc(C(=O)OCC(=O)NC2(C#N)CCCC2)c2ccccc2n1 5357477 DFJZKHYBGXIRJF-UHFFFAOYSA-N 337.379 2.653 30 40 EFEB C(=N/Nc1ncnc2c1ncn2Cc1ccccc1)\c1cccnc1 5437304 VFDLXODIDPIGOW-AUEPDCJTSA-N 329.367 2.716 30 40 EFEB CC/N=C1/N=C(C(Cl)(Cl)Cl)N=P(NCC)(NCC)N1 409415761 DBHANENDZCNKIG-UHFFFAOYSA-N 347.618 2.899 30 40 EFEB N#C[C@@H](NC(=O)c1cccc2cn[nH]c12)c1cnn(-c2ccccc2)c1 71890186 MOFIPHFFJCMGDV-QGZVFWFLSA-N 342.362 2.743 30 40 EFEB O=C(NCCc1nc[nH]n1)Nc1cccc(C#Cc2ccccc2)c1 89821665 FUGWLSPUWQICFV-UHFFFAOYSA-N 331.379 2.569 30 40 EFEB C=CCN(CC1CCCCC1)C(=O)c1cc(O)nc2ncn(C)c12 576119507 JCSWAIBLKCPANW-UHFFFAOYSA-N 328.416 2.882 30 40 EFEB COc1cc(C(=O)N2CCC(Nc3ccccc3C#N)CC2)sn1 585131249 PYIXRYOUVPWRAD-UHFFFAOYSA-N 342.424 2.740 30 40 EFEB C=CCNC(=O)C1CCN(c2cc(C)nc(-c3ccccc3)n2)CC1 5000445 WLZCYEIMLCOZHZ-UHFFFAOYSA-N 336.439 2.971 30 40 EFEB CC(C)[C@@](C)(C#N)NC(=O)CNc1ccc(C(=O)NC(C)(C)C)cc1 40493270 AOEMAKDGTRRDKI-LJQANCHMSA-N 344.459 2.681 30 40 EFEB Cc1cc(N2C(=O)C(=O)/C(=C(/O)c3ccco3)[C@H]2c2ccco2)no1 102564189 DWYUAADGYNHHBW-SXWSKBOKSA-N 340.291 2.795 30 40 EFEB C/N=C1/S/C(=C\c2ccc(O)c(Br)c2)C(=O)N1C 101167531 RDTYDARNDCRSJY-NVWBTOBJSA-N 327.203 2.687 30 40 EFEB COc1cccc([C@H]2[C@@H](C#N)C(=O)Nc3nc4ccccc4n32)c1OC 20637884 HQGXUJFOTLFFHT-WBMJQRKESA-N 348.362 2.735 30 40 EFEB CC(=O)c1ccc(OC/C(O)=N/c2nc(C(F)(F)F)n[nH]2)cc1 26252456 HOBUVPFRKYCQQF-UHFFFAOYSA-N 328.250 2.693 30 40 EFEB CC[C@H](O)CN(CC(=O)Nc1sccc1C#N)c1ccccc1 58343182 CYJLVVVGZYPQBZ-HNNXBMFYSA-N 329.425 2.836 30 40 EFEB CCCOc1ccccc1Oc1ncccc1CN/C(=N\C)NC 58326645 VSBBBLOEBFBWDI-UHFFFAOYSA-N 328.416 2.958 30 40 EFEB Cc1ccc(Br)cc1NCC(=O)N[C@@](C)(C#N)C1CC1 48658299 YNWPFGYGSJQIFF-HNNXBMFYSA-N 336.233 2.978 30 40 EFEB Cn1c(=O)n(C)c2cc(/N=C/c3nnc(-c4ccccc4)o3)ccc21 8411822 IWOQLTWTLJIIAF-YBFXNURJSA-N 333.351 2.678 30 40 EFEB Cc1cc(C)nc([C@@H](C#N)C(=O)c2cccc(OCC(F)F)n2)n1 89965609 LVAIQBLRRPLORV-NSHDSACASA-N 332.310 2.622 30 40 EFEB O=c1c2c3c(sc2ncn1/N=C/c1cccc(O)c1)CCCC3 44393366 FZEUCUZIXZDZLH-DJKKODMXSA-N 325.393 2.925 30 40 EFEB N/C(=N\CCc1c[nH]c2ccc(F)cc12)Nc1ccc([N+](=O)[O-])cn1 225235567 DEOYYWVTOVELEF-UHFFFAOYSA-N 342.334 2.580 30 40 EFEB N#Cc1ccc(N2C[C@H]3CN(c4nc5cnccc5s4)C[C@@H]3C2)nc1 1888904255 KXIVGKBYGCBSAD-KBPBESRZSA-N 348.435 2.531 30 40 EFEB C=CCNc1nc(OC)nc(N2CCC(Cc3ccccc3)CC2)n1 4537692 HOVSHIAZHQYTBV-UHFFFAOYSA-N 339.443 2.937 30 40 EFEB C/C(=N/NC(=S)Nc1ccc(C(=O)O)cc1C)c1ccccn1 6484535 QJFCXOYGFKTXKJ-ODLFYWEKSA-N 328.397 2.799 30 40 EFEB CCN(C[C@@H](C)C#N)C(=O)C1=NN(c2cc(C)ccc2C)C(=O)CC1 56409389 FRJRBBLMVQJVRI-AWEZNQCLSA-N 340.427 2.794 30 40 EFEB C[C@H]1CCN(S(=O)(=O)CC#N)[C@H]1c1ccc(C(F)(F)F)cc1 108134542 PWRMCJFLJGJWNL-GXFFZTMASA-N 332.347 2.942 30 40 EFEB CSCc1nc2ccccc2n1CC(=O)N(CCC#N)CCC#N 58282962 YTHOZBOMDYAJCV-UHFFFAOYSA-N 341.440 2.555 30 40 EFEB Cc1cc(NCCC[S@](C)=O)n2c(nc3ccccc32)c1C#N 69629566 WKYPLVSRJJHGRF-HSZRJFAPSA-N 326.425 2.848 30 40 EFEB C=C(Br)CNC(=O)c1c(F)cccc1NC(=O)NCC 69652829 IMNVGTFDEGEJAW-UHFFFAOYSA-N 344.184 2.606 30 40 EFEB CC(=O)c1cccc(NC(=O)[C@H](C)O/N=C(/N)c2cccs2)c1 67768940 OGVHGMJQMPHAQH-NSHDSACASA-N 331.397 2.615 30 40 EFEB N#Cc1ccccc1N1CCCN(C(=O)[C@H]2C[C@@H]2c2ccco2)CC1 71836396 GJBLYZABEIKAOJ-IRXDYDNUSA-N 335.407 2.994 30 40 EFEB CC(C)c1nc(CNS(=O)(=O)Cc2cccc(C#N)c2)cs1 71888421 AEWJZBJKRRXSBD-UHFFFAOYSA-N 335.454 2.758 30 40 EFEB CCNc1ccc(C#N)cc1NCc1ccc(C(N)=O)cc1[N+](=O)[O-] 75108489 FLRQOONCUCCSBM-UHFFFAOYSA-N 339.355 2.609 30 40 EFEB COc1nc(N/N=C/c2ccc(Cl)cc2)nc(N2CCCCC2)n1 408730914 VRUDPRKGVJCNPN-WOJGMQOQSA-N 346.822 2.970 30 40 EFEB N#CCCN(C(=O)CCc1cscn1)c1ccc2c(c1)OCCO2 79000356 GGGFMYAZQZKGAA-UHFFFAOYSA-N 343.408 2.794 30 40 EFEB N#Cc1cc2cc3c(cc2nc1SCC(=O)N1CCCC1)OCO3 35312128 VNOGGUZVCXXKMS-UHFFFAOYSA-N 341.392 2.550 30 40 EFEB N#Cc1sc(=NC(=O)N(Cc2ccncc2)C2CC2)[nH]c1Cl 585119389 GCNKEWAFYYYPNK-UHFFFAOYSA-N 333.804 2.682 30 40 EFEB N#Cc1ccc(CN2CC(Cn3cc(Br)cn3)C2)cc1 1889108976 XVYFBAXIBOLMRL-UHFFFAOYSA-N 331.217 2.649 30 40 EFEB Cc1cc(C(=O)NCC(=O)N[C@H](C#N)c2cccc(Cl)c2)c(C)o1 97162746 JCFHKZVHSIODAL-OAHLLOKOSA-N 345.786 2.661 30 40 EFEB COc1ccc(Cl)cc1-n1c(C)cc(/C=N/NC(N)=S)c1C 6792650 CGVVFVVKMGFQKL-QGMBQPNBSA-N 336.848 2.923 30 40 EFEB C=CCNS(=O)(=O)Cc1ccc(NC(=O)c2ccsc2)cc1 69490608 YFYIQIQVFBXVNL-UHFFFAOYSA-N 336.438 2.606 30 40 EFEB CN(C)c1ccc(CNC(=O)NCc2cccc(C#N)c2)cc1F 58569771 DXJPKRAWMGTPAA-UHFFFAOYSA-N 326.375 2.763 30 40 EFEB O=C1/C(=N\N=c2\[nH]c3ccccc3s2)c2cccc3c2N1CCC3 17195300 TWRJRXNBJTUEBN-HKWRFOASSA-N 334.404 2.827 30 40 EFEB C=CCNC(=O)c1cccnc1Sc1ccc2c(c1)OCCO2 12767101 LHUQOXMJYIJZNC-UHFFFAOYSA-N 328.393 2.920 30 40 EFEB N#Cc1ccc(CNC(=O)NCCc2ccc([N+](=O)[O-])cc2)c(F)c1 69697215 LHYJDNNWDUGHDF-UHFFFAOYSA-N 342.330 2.647 30 40 EFEB C#Cc1cccc(N(C(C)C)S(=O)(=O)c2c(C)nn(C)c2C)c1 68920539 AHBNCPHMFMJFLO-UHFFFAOYSA-N 331.441 2.622 30 40 EFEB C=CCOc1ccccc1CNC(=O)N[C@H](C)c1cn(C)nc1C 71897771 YEONIUJYTRFHSZ-CYBMUJFWSA-N 328.416 2.854 30 40 EFEB N#Cc1cccnc1N1CCCN(C(=O)[C@@H]2C[C@@H]2c2ccccc2)CC1 71824402 VXSUMNNIGUHHLS-RTBURBONSA-N 346.434 2.796 30 40 EFEB N#Cc1cccc(Cl)c1NC1CCN(CC(=O)N2CCCC2)CC1 95403114 WGJFCYJCHBOKRP-UHFFFAOYSA-N 346.862 2.710 30 40 EFEB N#CCCN(CC1CCC1)S(=O)(=O)Cc1noc2ccccc12 95940425 UAELSWCORFECMA-UHFFFAOYSA-N 333.413 2.673 30 40 EFEB COC(=O)[C@H](C)c1c(C)nn(Cc2cn3ccccc3c2C#N)c1C 89520859 GFLKUSLCHXJDOO-GFCCVEGCSA-N 336.395 2.949 30 40 EFEB CN(Cc1ccc(C#N)cc1F)S(=O)(=O)Cc1ccccc1C#N 32903144 DIFQULCYZDLSRT-UHFFFAOYSA-N 343.383 2.531 30 40 EFEB N#Cc1ccsc1C(=O)N[C@@H]1CCN(c2c(F)cccc2F)C1 88250721 DXCFGHHACIIFMS-LLVKDONJSA-N 333.363 2.907 30 40 EFEB N#Cc1cccc(CN2C(=O)CC[C@@H]2c2nc(-c3ccncc3)no2)c1 225466492 BAESVRLLJRJZTC-MRXNPFEDSA-N 345.362 2.867 30 40 EFEB CC[S@](=O)[C@@H]1CCC[C@H](NC(=O)N[C@H](C)c2cccc(C#N)c2)C1 245316691 KDYGEGIQKDNWCJ-SNHKHEJFSA-N 347.484 2.998 30 40 EFEB N#CCCCOc1cccc(CN2CC(=O)N[C@@H]3CCCC[C@@H]32)c1 92703146 YSJFSVMCDYGIJY-MSOLQXFVSA-N 327.428 2.612 30 40 EFEB N=C(NN=C1CCCCCC1)SCn1nnc2ccccc2c1=O 5523957 IQDWIGFNBRIXEV-UHFFFAOYSA-N 344.444 2.717 30 40 EFEB Cn1c(SCC(=O)Nc2sccc2C#N)nnc1-c1ccco1 5862739 SRPHJCXLISUHTD-UHFFFAOYSA-N 345.409 2.739 30 40 EFEB O=C(NC1CC1)c1ccc(-n2cccn2)c(C#Cc2cccnc2)c1 19337201 SBDHSDHWGDLDRC-UHFFFAOYSA-N 328.375 2.559 30 40 EFEB Cc1nonc1/N=N/c1ccc(O)c(C(C(C#N)C#N)C(C#N)C#N)c1 4866362 JVSNCJLTIPZBCD-QURGRASLSA-N 346.310 2.909 30 40 EFEB CNC(=O)[C@@H](C#N)C(=O)c1sc(-c2ccc(C)cc2C)nc1C 103707984 WNMHUGDAMOGLCJ-ZDUSSCGKSA-N 327.409 2.804 30 40 EFEB CC(C)c1nc(OCC(=O)N2CCCCC2)c(C#N)c2c1CCC2 12324588 SHHVNZHVAPUGQL-UHFFFAOYSA-N 327.428 2.957 30 40 EFEB Cc1cc(NS(=O)(=O)c2cccc(C#N)c2)n(-c2ccccc2)n1 57734593 BEPCQQPHTNGFPG-UHFFFAOYSA-N 338.392 2.853 30 40 EFEB C=CCN(C(=O)Cc1ccc2ccccc2c1)[C@H]1CCS(=O)(=O)C1 58214628 HYHRMLFMVWGVKC-SFHVURJKSA-N 343.448 2.584 30 40 EFEB O=[N+]([O-])c1cccc(/C=N/Nc2nnc(-c3ccccc3)c(O)n2)c1 4158756 IXSDWINMCXPILR-LICLKQGHSA-N 336.311 2.598 30 40 EFEB N#C[C@H](c1ccccc1)N1CCN(C(=O)c2cc(F)cc(F)c2)CC1 14161408 RWWWGNXQGONVSY-GOSISDBHSA-N 341.361 2.987 30 40 EFEB Cc1ccccc1-n1nnnc1SCC(=O)[C@H](C#N)c1ccccc1 6585196 PWZSMLCUORFWOI-OAHLLOKOSA-N 349.419 2.939 30 40 EFEB C=CCN1C(=O)N/C(=C/c2ccc(N3CCCCC3)cc2OC)C1=O 409124709 LJXXJBCNYCSEHV-FOWTUZBSSA-N 341.411 2.764 30 40 EFEB CC[C@@H]1CN(C(=O)c2ccc(COc3ccc(C#N)cc3)o2)CCO1 69490192 OZBLUKFBMLEIDZ-OAHLLOKOSA-N 340.379 2.981 30 40 EFEB COc1ccc(CN(C)S(=O)(=O)c2cccc(F)c2C#N)cc1 71905173 DOOXUGHMAGPGSY-UHFFFAOYSA-N 334.372 2.527 30 40 EFEB C[C@](C#N)(NC(=O)CN(CCc1cccc(F)c1)C1CC1)C1CC1 71905303 AVQNXZYCPZQRMC-LJQANCHMSA-N 329.419 2.641 30 40 EFEB c1cc(CN/C(=N\C2CC2)NCCCOC[C@H]2CCCO2)cs1 95397732 HERRZGISMXOINO-MRXNPFEDSA-N 337.489 2.531 30 40 EFEB CCc1ccc2nc(Nc3nc(C)c(CC#N)c(=O)[nH]3)nc(C)c2c1 20673272 NKCIWMFQKHZOTL-UHFFFAOYSA-N 334.383 2.702 30 40 EFEB CC(=O)C1=C(O)C(=O)N(c2ccc(O)cc2)[C@H]1c1ccc(O)cc1 66088169 RLZROHKTYQNFLJ-INIZCTEOSA-N 325.320 2.587 30 40 EFEB C=C(C)CSc1nc(C(C)C)nc2c1c(=O)n(C)c(=O)n2CCC 36810901 NKXHYTKJSKHMPB-UHFFFAOYSA-N 348.472 2.692 30 40 EFEB N#Cc1cccc(/C=C/C(=O)N[C@H]2CCN(c3ccccc3F)C2=O)c1 78997685 JGSWYENJMSEUGX-IJDCCNJMSA-N 349.365 2.632 30 40 EFEB C[C@H](C#N)CN(C)S(=O)(=O)N1CCC[C@@H]1c1cccc(Cl)c1 225706104 DYIYGVQERLPMOJ-IUODEOHRSA-N 341.864 2.813 30 40 EFEB C=CCOC[C@@H]1CC[C@H]2[C@H]1OCCN2C(=O)c1cc(F)cc(F)c1 253374149 LHUUFXIRUAJUIQ-ZLIFDBKOSA-N 337.366 2.787 30 40 EFEB COc1ccc(OC)c(N/C=C\C(=O)C2C(=O)CC(C)(C)CC2=O)c1 100331449 IEQYLNZHDWYHKJ-FPLPWBNLSA-N 345.395 2.773 30 40 EFEB N#Cc1nc(C2CC2)oc1N1CCN(CCOc2ccccc2)CC1 29225375 VOYRBCAZRQTACO-UHFFFAOYSA-N 338.411 2.625 30 40 EFEB N#Cc1ccsc1NC(=O)CN1CCO[C@H](c2ccc(F)cc2)C1 29538097 XWHJKBSQZFRBGH-HNNXBMFYSA-N 345.399 2.771 30 40 EFEB Cc1ccccc1Nc1nc(N)nc(COc2ccccc2C#N)n1 3445318 IAAPEYGVWRRNFU-UHFFFAOYSA-N 332.367 2.957 30 40 EFEB C=CCNC(=O)CSc1nnc(Nc2ccc(OC)cc2)s1 3580311 XECVHLIEIFSCFB-UHFFFAOYSA-N 336.442 2.685 30 40 EFEB CC1=CC(=O)[C@H](C(=O)/C=C/c2ccc(N3CCCCC3)cc2)C(=O)O1 3547024 GOAJZWLBVQOFOZ-VQFGERMISA-N 339.391 2.905 30 40 EFEB Cc1nn(C)c(Cl)c1/C=C/C(=O)c1ccc(OCC(=O)O)cc1 13459936 ZBWDZGJJXMSPJA-BQYQJAHWSA-N 334.759 2.741 30 40 EFEB Cc1oc(-n2cccc2)c(C#N)c1C(=O)N1C[C@@H](C)OC(C)(C)C1 84008250 WNQLROULTZDRFV-GFCCVEGCSA-N 327.384 2.890 30 40 EFEB Cc1noc(C)c1S(=O)(=O)/N=C(\O)CO[C@H]1CCC[C@H](C)C1 84025698 WFSYCYJTTVHVJD-CABZTGNLSA-N 330.406 2.532 30 40 EFEB CCOC(=O)c1cnc(SCc2ccc(C#N)cc2F)nc1N 9368401 JPJPIYKCWIQKDU-UHFFFAOYSA-N 332.360 2.539 30 40 EFEB C[C@H](OC[C@H]1CCCO1)/C(O)=N/S(=O)(=O)c1ccccc1Cl 69283757 KLWGVXXKMSAMNT-WDEREUQCSA-N 347.820 2.569 30 40 EFEB C[C@H]1CN(CC2CCN(Cc3ccc(C#N)cc3)CC2)C[C@@H](C)O1 69451246 LAENBUABNKSUGE-CALCHBBNSA-N 327.472 2.879 30 40 EFEB COc1cc(/C=C2\S/C(=N/c3cccnc3)NC2=O)ccc1O 17251375 BETVNUBAXKRNPM-ZSOIEALJSA-N 327.365 2.687 30 40 EFEB Cc1cccc2[nH]cc(CCNC(=O)C(=O)Nc3ccc(C#N)cc3)c12 71799745 MYKJXWIQEHYYPG-UHFFFAOYSA-N 346.390 2.645 30 40 EFEB C[C@H](NC(=O)N1CCc2ccccc2[C@H]1CO)c1cccc(C#N)c1 89905161 VJURVEYQKNIUKG-IFXJQAMLSA-N 335.407 2.921 30 40 EFEB O=C(O)CN1C2=C(C(=O)CCC2)C(c2ccco2)C2=C1CCCC2=O 409208907 ATVYXQODGOJKOD-UHFFFAOYSA-N 341.363 2.778 30 40 EFEB N#Cc1ccc(C(=O)N[C@H]2CCCc3c2cnn3-c2ccccn2)cc1 71195538 NTIJZXCSVKXEFY-KRWDZBQOSA-N 343.390 2.946 30 40 EFEB C=CCNc1ccc(S(=O)(=O)Nc2ccccc2)cc1C(=O)O 217636947 RBXFFEIBRBYAJH-UHFFFAOYSA-N 332.381 2.784 30 40 EFEB O=C(NO)c1cc(Cl)cc(Cl)c1I 226289834 RCNGVTAZCUNLPV-UHFFFAOYSA-N 331.924 2.717 30 40 EFEB C=CCO[C@@H]1CC[C@H]2[C@H]1OCCN2C(=O)c1cn(C)c2ccccc12 97953705 LYXIUHQVMHDZJR-IPMKNSEASA-N 340.423 2.753 30 40 EFEB CC(C)(C)c1cnc(CN(c2ccc(C#N)cc2)S(C)(=O)=O)o1 96472081 QNBUBACMDMKPKT-UHFFFAOYSA-N 333.413 2.810 30 40 EFEB Cc1ccc(S(=O)(=O)[C@H]2[C@H](c3ccc4c(c3)OCO4)[C@@H]2C#N)cc1 242463759 DJNZMLGMGAHQDY-BMGDILEWSA-N 341.388 2.803 30 40 EFEB C#Cc1cccc(N(C(=O)Cn2ncc(=O)c3ccccc32)C(C)C)c1 62639900 QZWIGNDEWIICGE-UHFFFAOYSA-N 345.402 2.819 30 40 EFEB C#CCN(Cc1ccc(F)cc1)C(=O)N[C@@H]1CCN2CCCC[C@H]12 68585049 RXMWYLFXYVOXBW-QZTJIDSGSA-N 329.419 2.597 30 40 EFEB Cc1ccccc1N/C(=N\OC(=O)c1ccccc1)c1nonc1N 2067669 HYQVCXIFFVOPCX-UHFFFAOYSA-N 337.339 2.591 30 40 EFEB Cc1nn2c3c(nnc2c1-c1ccccc1)C(=O)/C(=C\N(C)C)CC3 13639479 ICVBBEFDKUWJFT-KAMYIIQDSA-N 333.395 2.674 30 40 EFEB Cc1cc(N2C[C@@H]3CN(c4ncccc4C#N)C[C@H]3C2)nc(C2CC2)n1 2086954080 KDDXHXJYVGXVBI-IAGOWNOFSA-N 346.438 2.502 30 40 EFEB N/C(=N\OCC(=O)Nc1ccc(OC(F)F)cc1)c1cccs1 50512919 GNPSXBCBZIPUSP-UHFFFAOYSA-N 341.339 2.625 30 40 EFEB N#Cc1ccc(S(=O)(=O)NCCOc2ccc(Cl)cc2)cc1 22276996 NTUAQRHARPTSLH-UHFFFAOYSA-N 336.800 2.569 30 40 EFEB C[C@H](c1cccc(S(N)(=O)=O)c1)N(C)Cc1cc(C#N)ccc1F 57843252 PDXOSUVOBZAHIL-GFCCVEGCSA-N 347.415 2.538 30 40 EFEB N#CCc1ccc(NC(=O)CCn2cnc3sccc3c2=O)cc1 12817539 RQSIOMKLFSAZPP-UHFFFAOYSA-N 338.392 2.553 30 40 EFEB C[C@@H](C#N)Oc1ccc(CN[C@@H]2CCCN(c3cccnn3)C2)cc1 69840903 MTCOLNGUZUNJAS-DOTOQJQBSA-N 337.427 2.526 30 40 EFEB C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)N(C)C[C@@H]1CCCN(C)C1 69948971 PMUZYQWUEJTQFV-UONOGXRCSA-N 348.878 2.812 30 40 EFEB C=CCOc1ccc(Br)cc1[C@@H]1N[C@@H](C(=O)O)CS1 408816470 LMOHLNXFNFVKQP-ZYHUDNBSSA-N 344.230 2.802 30 40 EFEB CCOC[C@@H]1CN(c2nc(C)cc(C)c2C#N)C[C@H]1c1cnn(C)c1 585655493 RDRQLDZUDNBORR-WMZOPIPTSA-N 339.443 2.560 30 40 EFEB COC(=O)c1cccc(OCC(=O)N(C)C2(C#N)CCCCC2)c1 40161760 PNRYBDJDKBSRTB-UHFFFAOYSA-N 330.384 2.537 30 40 EFEB O=C1C=C(NNS(=O)(=O)c2ccccc2)C[C@@H](c2ccccc2)C1 270616 SKDOMKRZZVMUIO-OAHLLOKOSA-N 342.420 2.500 30 40 EFEB O=S(=O)(O[C@@H]1CC[C@H]2CC[C@@H]1O2)c1ccc(Br)cc1 1557269 HYWZHBGDFNKYQP-KGYLQXTDSA-N 347.230 2.864 30 40 EFEB Cc1ccc(CN2CC[C@@]3(C[C@@H](Nc4cccc(C#N)n4)CO3)C2)o1 107728686 LCBLSLAWGHGKLK-VQIMIIECSA-N 338.411 2.700 30 40 EFEB CCOc1ccccc1/C(O)=N/S(=O)(=O)Cc1ccccc1C#N 48505087 JYNSBGXSOFJYPF-UHFFFAOYSA-N 344.392 2.792 30 40 EFEB COc1ccc([C@@H]2[C@@H]3CCCC[C@@]3(O)CCN2CC#N)cc1OC 13769181 XIIIERLRZPQPKY-KFKAGJAMSA-N 330.428 2.895 30 40 EFEB C[C@H](NS(=O)(=O)Cc1noc2ccccc12)c1ccc(C#N)cc1 96006795 ATTISDJCKWSNPH-LBPRGKRZSA-N 341.392 2.880 30 40 EFEB C=CCSc1nnc(NC(=O)COc2ccc(F)cc2)s1 7594279 XYCLAYHQQGKHFN-UHFFFAOYSA-N 325.390 2.973 30 40 EFEB CCOc1cc2c(cc1/C=N\Nc1ccc([N+](=O)[O-])cn1)OCO2 409108699 VMFQDMPINLDQMN-IDUWFGFVSA-N 330.300 2.563 30 40 EFEB CN1CCN(C(=O)c2cccc(COc3ccc(C#N)cc3)c2)CC1 79361345 GXNRRDNRVKYKHU-UHFFFAOYSA-N 335.407 2.525 30 40 EFEB C=CCNC(=S)Nc1nc(Cl)cc(N2CCCC[C@@H]2C)n1 225926386 WXCFGIBNGGOSTO-JTQLQIEISA-N 325.869 2.981 30 40 EFEB Oc1ccc(/C=N/Nc2ccc3nnc(-c4ccccc4)n3n2)cc1O 4717985 URYSWMZUMNGDDN-YBFXNURJSA-N 346.350 2.649 30 40 EFEB CCCNc1ccc(C#N)cc1NC(=O)c1n[nH]c(C)c1[N+](=O)[O-] 78997210 LHNCVANDHPDRLH-UHFFFAOYSA-N 328.332 2.572 30 40 EFEB N=C1C(c2nc3ccccc3[nH]2)=C(O)CN1/N=C/c1ccc(O)c(O)c1 102732998 JZWRSIPEOCTFEX-WJWAKDHPSA-N 349.350 2.570 30 40 EFEB COc1ccc(/C(O)=C2\C(=O)C(=O)N(C)[C@@H]2c2cccc(F)c2)cc1 102800152 OMVJESGTVYDFLF-IBOXJLQUSA-N 341.338 2.886 30 40 EFEB O=C1Nc2c(cc(Cl)cc2[N+](=O)[O-])N/C1=C\C(=O)c1ccco1 8651669 ZHXWOZFNUJHNRW-TWGQIWQCSA-N 333.687 2.972 30 40 EFEB C=C(C)Cn1c(SCN2CCCCC2=O)nnc1-c1ccncc1 96500579 LQEVNPVLTOHAOO-UHFFFAOYSA-N 343.456 2.978 30 40 EFEB N#CCCN(CCC#N)C(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1 58306137 ZKTYLFYMHKSZGY-QGZVFWFLSA-N 342.418 2.694 30 40 EFEB C#C[C@@H]1C[C@@H]2CC(=O)[C@H]3[C@@H]4CCC(=O)[C@@]4(C)CC[C@@H]3[C@@]2(C)C[C@H]1O 118915157 RMHPKQZBZCPFIM-FCZYMLBBSA-N 328.452 2.997 30 40 EFEB COc1ccc(C2=N/C(=C/c3ccc(C#N)cc3)C(=O)O2)cc1OC 7787120 WUPGOQQUMLHBIE-OQLLNIDSSA-N 334.331 2.920 30 40 EFEB C=CCNCc1nc2scc(-c3ccccc3)c2c(=O)n1CC#N 8133374 ISNPPVBWXAJEMH-UHFFFAOYSA-N 336.420 2.924 30 40 EFEB N#CCc1cccc(C(=O)NC[C@H](c2cccnc2)N2CCCC2)c1 84364216 SSEZNUKOVUCYFK-LJQANCHMSA-N 334.423 2.715 30 40 EFEB O=c1sc2c(n1C[C@@H]1CO1)SC[C@@H]1COc3ccccc3[C@H]21 32597585 CVHMRDCNMUHILY-OPQQBVKSSA-N 333.434 2.555 30 40 EFEB CC(C)(C)C(=O)N1CCC[C@@H](C(=O)Nc2cccc(F)c2C#N)C1 78777628 PGZGYPKTFMZBCN-GFCCVEGCSA-N 331.391 2.921 30 40 EFEB CC(C)n1cc(C#N)c(NS(=O)(=O)c2c(F)cccc2Cl)n1 97380059 WNYLHGAQMAKMOD-UHFFFAOYSA-N 342.783 2.929 30 40 EFEB COC[C@]1(C#N)[C@@H](c2cccc(F)c2)[C@H]1S(=O)(=O)c1ccccc1 242688301 VNCPVQVZXVUTOD-RCCFBDPRSA-N 345.395 2.922 30 40 EFEB COc1ccc(/C=N/NC(=S)N[C@H]2C[C@H]3CC[C@@H]2C3)cc1OC 172037 HZWCLXYETSTGAZ-MKYPNBIUSA-N 333.457 2.690 30 40 EFEB COc1cc(OC)cc([C@@H]2Nc3nonc3NC3=C2C(=O)CCC3)c1 12389529 IIHYJHQKRPXJCR-HNNXBMFYSA-N 342.355 2.673 30 40 EFEB O=C1Nc2ccc(Br)cc2/C1=N/N=C\c1cccc(O)c1 16399482 DLQMIPLEKFQALI-IUXPMGMMSA-N 344.168 2.930 30 40 EFEB O=C(Nc1ccc(F)cc1)[C@@H]1CCCN1/C=C/C(=O)C(F)(F)F 4175679 YHNOXTCMWPXZLX-CRALRDPISA-N 330.281 2.874 30 40 EFEB Cc1[nH]cnc1CSCCNC=C1C(=O)c2ccccc2C1=O 100430901 YKUHGQBTFUMSAR-UHFFFAOYSA-N 327.409 2.504 30 40 EFEB Cc1cc(NC(=O)CSc2nc3c(cc2C#N)CCCC3)no1 99237 CVNILSGPAGCTHY-UHFFFAOYSA-N 328.397 2.859 30 40 EFEB C[C@]1(C(=O)NCCNc2cccc(F)c2C#N)CC1(Cl)Cl 42104785 PXTIDTOCSUTJAN-CYBMUJFWSA-N 330.190 2.809 30 40 EFEB CCOC(=O)C(=NNc1ccc(C(F)(F)F)cc1)C(=O)OCC 103550865 BNHBQKPXHCDBOZ-UHFFFAOYSA-N 332.278 2.600 30 40 EFEB C=CCOC(=O)[C@H](C#N)c1nc2ccccc2nc1N1CCCCC1 2324540 KVKGUFLSFSSKPY-CQSZACIVSA-N 336.395 2.956 30 40 EFEB N#Cc1ccc(NC(=O)Cn2c(=O)cnc3ccccc32)cc1Cl 3440763 MTHCOOJDLGLNNC-UHFFFAOYSA-N 338.754 2.560 30 40 EFEB COc1ccccc1N1CC[C@H](CNc2nnc(C)c(C)c2C#N)C1 69388803 SOCRIYBZDIYASE-OAHLLOKOSA-N 337.427 2.912 30 40 EFEB CCc1noc(C)c1C(=O)N1CCN(c2ccc(C#N)cc2F)CC1 69559159 JTNPMQUHVWIPPH-UHFFFAOYSA-N 342.374 2.519 30 40 EFEB CCCN1CC(=O)C(c2nc(-c3ccc(OC)cc3)cs2)=C1N 9577001 YILXQKKSEYEPPE-UHFFFAOYSA-N 329.425 2.741 30 40 EFEB C#CCOc1cccc([C@H](C)NC(=O)NC[C@H](O)c2ccsc2)c1 95399902 WNHJJIQWPGDMKH-GUYCJALGSA-N 344.436 2.854 30 40 EFEB C#CCN1CCCC[C@@H]1C(=O)Nc1nc(-c2ccsc2)ns1 72275005 ZGEAFAFFLFHCOS-GFCCVEGCSA-N 332.454 2.693 30 40 EFEB Cc1ncc(C(=O)[C@@H](C#N)c2nc3cc(Cl)ccc3c(=O)[nH]2)s1 72271768 JOFZZLRIWCHRBI-SNVBAGLBSA-N 344.783 2.832 30 40 EFEB CCN1C(=O)N/C(=C/c2cc(C)n(-c3ccc(C#N)cc3)c2C)C1=O 409232650 AXIQENQOWFHGFH-LICLKQGHSA-N 334.379 2.878 30 40 EFEB Cc1ccccc1N=C[C@H]1C(=O)NC(=O)N(c2ccccc2F)C1=O 408526421 AMXKUSHUKKVAMB-LBPRGKRZSA-N 339.326 2.736 30 40 EFEB O=S(=O)(Cc1ccccc1Cl)/N=C(\O)c1cc(C2CC2)n[nH]1 83791626 YTNLINJHZXGGRW-UHFFFAOYSA-N 339.804 2.775 30 40 EFEB COc1ccc2nc3n(c2c1)[C@@H](CNCc1ccc(C#N)cc1)COC3 96112623 DVTYKYWNDVMKQO-INIZCTEOSA-N 348.406 2.778 30 40 EFEB biogenic,in-vitro CCN1CCCC[C@H]1/C(O)=N/S(=O)(=O)c1ccc(Cl)s1 97097958 JJHDJIOGZCIRGT-VIFPVBQESA-N 336.866 2.921 30 40 EFEB COc1cccc([C@@H](C#N)NC(=O)c2cc3ccccn3c2)c1OC 97212726 VWRYXOOJTIVNOZ-MRXNPFEDSA-N 335.363 2.951 30 40 EFEB C=CCn1ncc(CN2CCC(O)(c3ccccc3OC)CC2)c1C 12330670 OWOMFOUAWDEMMO-UHFFFAOYSA-N 341.455 2.870 30 40 EFEB S=C(N/N=C/c1ccc(N2CCOCC2)cc1)NC1CCCCC1 6299157 GFDSCMHTUQZRJY-XMHGGMMESA-N 346.500 2.654 30 40 EFEB Cc1cc(N2CCN(c3nc4ccccc4cc3C#N)CC2)ncn1 1889151940 MTHMCYDFSKENIQ-UHFFFAOYSA-N 330.395 2.532 30 40 EFEB COc1ccc(-c2cc(-c3cccnc3)c(C#N)c(=O)[nH]2)cc1OC 6297605 JCESGTUFQGXGGU-UHFFFAOYSA-N 333.347 2.993 30 40 EFEB C=CCN1C(=O)CCC12CCC(NC(=O)c1cc(C3CC3)on1)CC2 2055819280 GXMBFYPCKZJUJS-UHFFFAOYSA-N 343.427 2.772 30 40 EFEB CCn1ncc2c1CCC[C@H]2N[C@H]1CCN(c2ccc(C#N)cc2)C1=O 76046976 HWHYIVSJHAXJPQ-MSOLQXFVSA-N 349.438 2.547 30 40 EFEB Cc1cccc(N2CCN(C(=O)CCc3ccc(C#N)cc3)[C@@H](C)C2)n1 71908095 SAWQUROQISZKFD-KRWDZBQOSA-N 348.450 2.932 30 40 EFEB Cc1nc(C)c(C#N)c(SCC(=O)Nc2ccc(N(C)C)cc2)n1 12588758 BYOYZBXXJSWCPN-UHFFFAOYSA-N 341.440 2.762 30 40 EFEB Cc1ccc(S(=O)(=O)O[C@H]2[C@H]3[C@@H]4S[C@H]5[C@H]6C[C@@H]([C@@H]52)[C@@H]3[C@H]64)cc1 104055772 IJOQHVCJLFLQPZ-LSXUETHQSA-N 334.462 2.695 30 40 EFEB COC(=O)C(OS(C)(=O)=O)=C1c2ccccc2-c2ccccc21 2062716 AKRUBKNWDKBCNI-UHFFFAOYSA-N 330.361 2.576 30 40 EFEB CN(C)C(=O)COc1cccc(C(=O)/C=C/c2ccc(C#N)cc2)c1 58180697 APRSRPFFWOYDRN-ZHACJKMWSA-N 334.375 2.921 30 40 EFEB CC(C)c1nc(OCC(=O)N2CCCC2)c(C#N)c2c1CCCC2 13691478 BLRZFDLWIFTVHD-UHFFFAOYSA-N 327.428 2.957 30 40 EFEB N#CCCn1ncc2c(NCCCOc3ccccc3F)ncnc21 65519964 GLIXSCUCTMUQGH-UHFFFAOYSA-N 340.362 2.760 30 40 EFEB C/C(=N\N=C1/NC(=O)[C@H](CC(=O)O)S1)c1ccc2ccccc2c1 4576760 RLVBMKVIIBPSBY-FVOVHSBVSA-N 341.392 2.626 30 40 EFEB CCOc1ccccc1N1CCN(C(=O)c2cc(C#N)cs2)CC1 84180490 UAANMYLIFDQIEY-UHFFFAOYSA-N 341.436 2.981 30 40 EFEB Cc1ccsc1CN(C)C(=O)CCc1c(C)[nH]c(=O)c(C#N)c1C 72274752 QTOGWBSGNBACIE-UHFFFAOYSA-N 343.452 2.825 30 40 EFEB CCn1nc(C)c(S(=O)(=O)N(c2ccccc2)[C@@H](C)C#N)c1C 95404027 NZCSQBPPDPOGDP-LBPRGKRZSA-N 332.429 2.627 30 40 EFEB C[C@H]1CCC[C@](C#N)(NC(=O)c2cnn(CCN3CCCCC3)c2)C1 73767048 QFWXUUGWCMYZQL-LPHOPBHVSA-N 343.475 2.571 30 40 EFEB C/C(=N\N=C1/NC(=O)[C@H](CC(=O)O)S1)c1cccc2ccccc12 33694612 ISVQXUMXQXUPCL-FVOVHSBVSA-N 341.392 2.626 30 40 EFEB N#Cc1cc(C(=O)OC[C@H]2CCCN(C(=O)c3ccccc3)C2)c[nH]1 195554182 ULWWFSSARXMVNJ-AWEZNQCLSA-N 337.379 2.596 30 40 EFEB C[C@H](C(=O)N(CCC#N)Cc1ccccn1)N1CCc2ccccc2C1 96412391 OAIUQAKJSBWHAS-QGZVFWFLSA-N 348.450 2.771 30 40 EFEB CC[S@@](=O)[C@@H]1CCC[C@H](NC(=O)N[C@@H](C)c2cccc(C#N)c2)C1 96456323 KDYGEGIQKDNWCJ-FAQJQXMFSA-N 347.484 2.998 30 40 EFEB Cc1ccc(C#N)cc1C(=O)NCCn1cc(-c2ccccc2)nn1 1607784422 PFHCATHFOYCIND-UHFFFAOYSA-N 331.379 2.555 30 40 EFEB CN(C)S(=O)(=O)N(CC#N)Cc1sc2ccccc2c1Cl 283427616 CFBTVMAJTZADGF-UHFFFAOYSA-N 343.861 2.687 30 40 EFEB C=C(C)COCCNC(=O)Nc1ccccc1-c1nncn1CC 95416951 VMKPFNVHCCDBRU-UHFFFAOYSA-N 329.404 2.679 30 40 EFEB COc1ccc(CN2C(=O)CS/C2=N/N=C/c2ccco2)cc1 4320797 FTMOMMPGFISATG-APBNWAIRSA-N 329.381 2.754 30 40 EFEB CN(C)c1ccc(/C=N/n2cnc3c([nH]c4ccccc43)c2=O)cc1 492574 RLPOEACBIZKDGA-SRZZPIQSSA-N 331.379 2.826 30 40 EFEB C#CCNC(=O)[C@H]1CCC(=O)N(CCCC)[C@@H]1c1ccccc1OC 22690920 CYVIHPAUSCZBPZ-QFBILLFUSA-N 342.439 2.524 30 40 EFEB COc1ccc(CCC(=O)OCC(=O)Nc2sccc2C#N)cc1 3363898 ORQXRPKQHGPVLI-UHFFFAOYSA-N 344.392 2.743 30 40 EFEB O=C(O)c1cc(/C=C/C(=O)c2ccccc2O)c2c(c1)COCO2 4023220 SYNGTKATEQGTES-AATRIKPKSA-N 326.304 2.853 30 40 EFEB biogenic C=CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccc(SC)cc1 6050388 WKVOWVSZVJQUJQ-AWEZNQCLSA-N 334.466 2.931 30 40 EFEB N#C[C@@H](NC(=O)c1ccc(-n2ccnc2)nc1)c1ccc(F)cc1F 68419240 UBWPPOOIUVNHBE-OAHLLOKOSA-N 339.305 2.540 30 40 EFEB C=CCOc1ccc(CN(C)C(=O)CNC(=O)c2cccs2)cc1 8293171 FQCQRTVDTVLLKC-UHFFFAOYSA-N 344.436 2.701 30 40 EFEB C=CCN(c1ccc(C(=O)NCC)cc1)S(=O)(=O)c1ccccc1 224367578 BKTFDLUOYJPTCH-UHFFFAOYSA-N 344.436 2.818 30 40 EFEB Cn1c([C@H](C#N)C(=O)c2cccc(-c3nc[nH]n3)c2)nc2ccccc21 330032104 ILSFOVPTLJVYQG-CQSZACIVSA-N 342.362 2.848 30 40 EFEB CC[C@@H](CC#N)NC(=O)Nc1ccccc1-c1nnnn1C(C)C 97096271 CTUBGVSZUBJTHH-LBPRGKRZSA-N 327.392 2.735 30 40 EFEB C#C[C@@H]1C[C@@H]2CC(=O)[C@@H]3[C@@H]4CCC(=O)[C@@]4(C)CC[C@@H]3[C@@]2(C)C[C@H]1O 253617329 RMHPKQZBZCPFIM-GHRWUZPSSA-N 328.452 2.997 30 40 EFEB COc1ccc([C@H](C#N)N2CCN(C(=O)C3CCCCC3)CC2)cc1 41259244 UOFDGYPPPHFBBF-IBGZPJMESA-N 341.455 2.984 30 40 EFEB CCN(CCC#N)S(=O)(=O)c1cc(Cl)c2c(c1)C[C@@H](C)O2 78822691 CCJQXZAWIAZAET-SNVBAGLBSA-N 328.821 2.588 30 40 EFEB CCCNc1ccc(C#N)cc1NC(=O)c1cccc(C(=O)NC)c1 78997221 NJQNSPGVXDULCU-UHFFFAOYSA-N 336.395 2.992 30 40 EFEB N#C[C@@H](NC(=O)c1ccc(O)c([N+](=O)[O-])c1)c1cccc(Cl)c1 97112684 OTRUBVNYOJMBFK-GFCCVEGCSA-N 331.715 2.948 30 40 EFEB Cc1cc(NC(=O)c2ccc3nc(C)c(C)nc3c2)n(CCC#N)n1 58356494 GNUOVFBOYGIWLB-UHFFFAOYSA-N 334.383 2.918 30 40 EFEB COC(=O)c1ccc(/C=N/OCC(=O)N[C@@H]2CCC[C@H](C)[C@H]2C)cc1 6047373 YZJSIJDZAWLCQD-VAUGABELSA-N 346.427 2.765 30 40 EFEB Cc1cc(C)nc(SCC(=O)N[C@@H](C#N)c2ccc(F)cc2F)n1 65542676 LQUGNTCRXHQIEI-AWEZNQCLSA-N 348.378 2.845 30 40 EFEB N#CCSc1nnc2n(-c3ccccc3)c(=O)c3ccccc3n12 4843801 KAYBBYYFYDGMRF-UHFFFAOYSA-N 333.376 2.649 30 40 EFEB COc1cc(/C=C2/CCc3c(cnn3C)C2=O)cc(OC)c1OC 96307132 OXVRPTFOFMPCAX-GHXNOFRVSA-N 328.368 2.658 30 40 EFEB C#CCN(CC#C)C(=O)c1cc(NC(=O)OC)cc(C(F)(F)F)c1 95418538 IMKISOIASXKFBK-UHFFFAOYSA-N 338.285 2.592 30 40 EFEB C[C@H](Oc1cccc(C#N)c1)C(=O)N1CCCC[C@H]1Cn1cccn1 75129564 ASVILJHTSHTOTI-RDJZCZTQSA-N 338.411 2.603 30 40 EFEB O=C1/C(=C\c2cc3c(cc2Br)OCO3)N2CCC1CC2 32509952 QUKVRKPJMOGTMO-LFYBBSHMSA-N 336.185 2.813 30 40 EFEB COc1ccccc1-n1nc(C#N)c(N2CCc3ccccc3C2)n1 256048361 SMGCANIGOPMXQJ-UHFFFAOYSA-N 331.379 2.710 30 40 EFEB C[C@@H](C(=O)Nc1cccc(C#N)c1)N1CCN(c2ccccc2)CC1 57406070 FISVIPXSIIKSII-INIZCTEOSA-N 334.423 2.707 30 40 EFEB COc1ccc(OC)c2c1CN(c1cccc(F)c1C#N)C[C@H]2O 32808467 GCQOZRAHFBIPRM-OAHLLOKOSA-N 328.343 2.768 30 40 EFEB C=CCNC(=O)NC(=O)[C@@H](C)N1CC[C@H](CSc2ccccc2)C1 75963939 RVWTYGGZAKDEFA-CABCVRRESA-N 347.484 2.501 30 40 EFEB CN1CCC(OC(=O)[C@](O)(C#Cc2ccccc2)c2ccccc2)CC1 2009174 QPZCIHUWGXRMCU-QFIPXVFZSA-N 349.430 2.563 30 40 EFEB C#CCN(Cc1ccc(C(N)=O)cc1[N+](=O)[O-])[C@H]1CCc2ccccc21 47405971 RVCOWKVONDPQSP-SFHVURJKSA-N 349.390 2.816 30 40 EFEB COc1ccc(OC)c2c1CN(Cc1ccc(C#N)cc1F)C[C@H]2O 26160196 UWZHSXVHXSREQX-MRXNPFEDSA-N 342.370 2.764 30 40 EFEB N#Cc1ccsc1NC(=O)CCN1CCC(c2cc[nH]n2)CC1 58250836 DHMQAQUQXFUYPK-UHFFFAOYSA-N 329.429 2.551 30 40 EFEB C[S@@](=O)Cc1cccc(NCC(=O)Nc2ccc(CC#N)cc2)c1 70037746 LFXXAUJDPUIXAL-DEOSSOPVSA-N 341.436 2.682 30 40 EFEB N#Cc1cccc(OCCN2CC[C@@H](CNc3ncccc3C#N)C2)c1 65512155 IJZRIPSWIURJGF-KRWDZBQOSA-N 347.422 2.638 30 40 EFEB N#Cc1cccc(NC(=O)C[C@H](NC(N)=O)c2ccccc2Cl)c1 6561243 WUBCWUBIOJWJRX-HNNXBMFYSA-N 342.786 2.950 30 40 EFEB CCN(C[C@H](C)C#N)C(=O)c1nnn(-c2ccc3ncccc3c2)c1C 66823621 YDKMIEXSQTZHJJ-CYBMUJFWSA-N 348.410 2.746 30 40 EFEB CC[C@H](CC#N)NC(=O)[C@@H](NC(=O)OC(C)(C)C)c1ccccc1O 585089291 BDRNPACYFXPLKZ-DOMZBBRYSA-N 347.415 2.766 30 40 EFEB CC(/C=C\c1ccccc1)=N\NS(=O)(=O)c1ccc([N+](=O)[O-])cc1 16892455 QJPWWLHVQGVEDY-FHTJCBKVSA-N 345.380 2.962 30 40 EFEB Cc1sc2c(c1C)c(=O)n(-c1ccccc1)c(=O)n2CCC#N 2694726 UIMNVKVHYIMJMV-UHFFFAOYSA-N 325.393 2.744 30 40 EFEB Cc1ccc(S(=O)(=O)/N=C2/C=CC(=O)C(Br)=C2)cc1 101181361 TVSOQMUWVNTQPH-GDNBJRDFSA-N 340.198 2.542 30 40 EFEB N#CCCN(Cc1ccco1)C(=O)CCn1c(=O)oc2ccccc21 58157362 LKFZWDAAGJNSLU-UHFFFAOYSA-N 339.351 2.520 30 40 EFEB C#CCN(CC(=O)Nc1ccc(C(=O)N(C)C)cc1)C1CCCCC1 58277475 JZSVMWPDLNZSQK-UHFFFAOYSA-N 341.455 2.595 30 40 EFEB CC1=NN(c2ccccc2)C(=O)/C1=N\Nc1ccc2c(c1)OCCO2 102970645 JRYQSGCGMSHYHY-JZJYNLBNSA-N 336.351 2.648 30 40 EFEB Cc1nn(-c2ccc(F)cc2)c2[nH]nc(NC(=O)C(C)(C)C#N)c12 97138170 SIGGQHOXVWSJKN-UHFFFAOYSA-N 326.335 2.684 30 40 EFEB Cc1noc(C)c1CO/N=C(/N)c1ccc(N2CCCCC2)nc1 58498635 PUMSSBZXZYXDDQ-UHFFFAOYSA-N 329.404 2.514 30 40 EFEB CCCC/C(O)=N/S(=O)(=O)c1ccc(CNC(=O)OCC)cc1 48492762 HUFDPXIMMOFAKN-UHFFFAOYSA-N 342.417 2.768 30 40 EFEB CN(C)/C=N/C(=O)c1cn(-c2ccc(F)cc2)c(=O)c2ccccc12 13136328 GSALHSUHEYDJOU-CIAFOILYSA-N 337.354 2.860 30 40 EFEB CC1(C)CC(=O)C2=C(C1)N(c1ccccc1)C(=O)[C@@]2(O)C(F)(F)F 8756840 RULMSDQKTPKAPZ-MRXNPFEDSA-N 339.313 2.970 30 40 EFEB C=C(C)C[C@H]1N(c2ccccc2C)C(=O)[C@@H]2[C@H](C(=O)O)[C@H]3C=C[C@]21O3 5341903 INFSPPRSFZBLBY-XFEYQPKCSA-N 339.391 2.701 30 40 EFEB Cc1nnc(SCC(=O)N[C@@](C)(C#N)C2CC2)n1C1CCCCC1 6788580 SBNVGHDIRBXJFM-KRWDZBQOSA-N 347.488 2.992 30 40 EFEB CCS[C@H]1C(C(=O)c2ccccc2C)=C(CC(=O)O)C(=O)N1C 62716290 VRRNUBVVEDIBAN-KRWDZBQOSA-N 333.409 2.500 30 40 EFEB CCC(=O)N1CCN(c2oc(/C=C/c3cccs3)nc2C#N)CC1 36629285 UAPYBOOSEJQWFD-AATRIKPKSA-N 342.424 2.837 30 40 EFEB O/C(=N/Cc1cc2ccccc2[nH]1)N[C@H]1CCOC2(CCOCC2)C1 330234687 STHILAUEYSVUKG-HNNXBMFYSA-N 343.427 2.900 30 40 EFEB CCN(C)C[C@H]1CCN(Cc2c(C#N)c(C)nn2-c2ccccc2)C1 91071905 ZBWKJBXVNYEXSZ-QGZVFWFLSA-N 337.471 2.826 30 40 EFEB Cc1cccc(CN2CC[C@@]3(CC(=O)N(c4cccc(C#N)c4)C3)C2)n1 96077465 RDIJLUADBKZMEB-OAQYLSRUSA-N 346.434 2.891 30 40 EFEB C=CCOC[C@H]1CN(Cc2ccc(F)c(F)c2)Cc2nccn2C1 2055708139 OYRHKSBLPDSMNA-HNNXBMFYSA-N 333.382 2.996 30 40 EFEB CC(=O)C1=C(O)C(=O)N(Cc2cccnc2)[C@H]1c1cccc(F)c1 78243 COYRNNSTHNWHCG-INIZCTEOSA-N 326.327 2.705 30 40 EFEB Cc1cc([C@@H]2CCCN(C(=O)[C@@H](C)Oc3cccc(C#N)c3)C2)n[nH]1 78902347 KEHRWTZFKYDCJH-GDBMZVCRSA-N 338.411 2.763 30 40 EFEB CCc1nc2n(n1)CCC[C@@H]2NC(=O)N[C@@H](C)c1cccc(C#N)c1 79069731 RSWJXTATLMTOMR-WFASDCNBSA-N 338.415 2.607 30 40 EFEB CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@H](O)C[C@@]21C 4096806 LCZBQMKVFQNSJR-CZUPSRJTSA-N 346.467 2.809 30 40 EFEB endogenous,in-man CC(C)Oc1ccc(N/C(N)=N/CCCCc2cnn(C)c2)cc1 72272581 ACMXLNKROATWKE-UHFFFAOYSA-N 329.448 2.957 30 40 EFEB Cc1ccc([C@@H](C)NC(=O)CCc2c(C)[nH]c(=O)c(C#N)c2C)o1 44869467 SFEFIFSXMZSHMI-CYBMUJFWSA-N 327.384 2.575 30 40 EFEB CC(=O)Nc1ccc(SCc2cc(O)n3ncc(C#N)c3n2)cc1 71907126 RBAUZUBJTWEIJF-UHFFFAOYSA-N 339.380 2.557 30 40 EFEB CN(C)C(=O)[C@H]1CC[C@@H](CNc2ccc(C(F)(F)F)c(C#N)c2)O1 97145462 NCPSLRWKMPYRMN-GXTWGEPZSA-N 341.333 2.625 30 40 EFEB O=C1C[C@H](c2ccco2)CC2=C1[C@H](c1cccc(O)c1)n1ncnc1N2 9484274 SDWXIVZXZNLMEG-XIKOKIGWSA-N 348.362 2.992 30 40 EFEB COc1cccc(C(=O)N(C)CCOc2cccc(C#N)c2)c1F 95445422 KQOPOUDCNKTBJU-UHFFFAOYSA-N 328.343 2.857 30 40 EFEB CC(C)(CCC#N)CNCc1nnc2n1C[C@H](C(F)(F)F)CC2 95402037 AVSIHFQRGPHSRW-LLVKDONJSA-N 329.370 2.822 30 40 EFEB CCCCCOc1ccc(S(=O)(=O)Nc2nn(C)cc2C#N)cc1 123347111 TWZCJWUCHQMMOG-UHFFFAOYSA-N 348.428 2.662 30 40 EFEB C=CCOc1ccc(C(F)(F)F)cc1C(=O)NCc1cnn(C)c1 96416926 OOHUANMRSMRLID-UHFFFAOYSA-N 339.317 2.934 30 40 EFEB C#Cc1cccc(N(C)S(=O)(=O)c2ccc(C(F)(F)F)nc2)c1 97238083 DDIUJKPBEWMIOZ-UHFFFAOYSA-N 340.326 2.907 30 40 EFEB CN(C)c1ccc([C@@H]2CCCN2C(=O)c2ccc(F)c(C#N)c2)nn1 591657709 UAOGOBVHKCKXEB-INIZCTEOSA-N 339.374 2.531 30 40 EFEB C#CCNC(=O)CC(=O)N(C)[C@@H](c1ccccc1)c1ccc(F)cc1 97235708 BNWXNRDEUJTUHT-FQEVSTJZSA-N 338.382 2.513 30 40 EFEB O=C(O)c1ccc(/C=N/n2c(S)nnc2-c2cccs2)cc1 13350327 JXSPCPHRBXCMRU-OVCLIPMQSA-N 330.394 2.876 30 40 EFEB COc1ccc(O)c(/C(C)=N/Nc2ccc(S(C)(=O)=O)cc2)c1 102172659 WUUARTAGQKNJNS-GZTJUZNOSA-N 334.397 2.640 30 40 EFEB CC(=O)C1=C(O)C(=O)N(Cc2cccnc2)[C@@H]1c1ccccc1F 78171 MVNCOBIUVBZZKO-MRXNPFEDSA-N 326.327 2.705 30 40 EFEB C=CCNC(=O)c1ccccc1NS(=O)(=O)c1ccc(F)cc1 6016109 BSNQFDJQKKJAFD-UHFFFAOYSA-N 334.372 2.542 30 40 EFEB N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)c2ccsc2)CC1 24381747 AKVUJCBVEZDWAQ-MRXNPFEDSA-N 329.400 2.910 30 40 EFEB CCc1nc(C#N)c(NC[C@@H](c2cccs2)N2CCOCC2)o1 27794081 ZKJWMCBFIKAOPF-ZDUSSCGKSA-N 332.429 2.656 30 40 EFEB C=CCn1cc(C(=O)N2CCN(c3ncccn3)CC2)c2ccccc21 57419408 FKYBBXOARFWOAG-UHFFFAOYSA-N 347.422 2.580 30 40 EFEB N#C[C@@H]1C(=O)N=C2Nc3ccccc3N2[C@H]1c1ccc([N+](=O)[O-])cc1 20637435 RFWWCRPFAIBCCN-WFASDCNBSA-N 333.307 2.604 30 40 EFEB Cc1ccc(CN(CCO)C(=O)Nc2nn(C(C)C)cc2C#N)cc1 96008657 AACZIKPLTHFHSJ-UHFFFAOYSA-N 341.415 2.671 30 40 EFEB CC(=O)c1cccc(NC(=O)[C@@H](C)O/N=C(/N)c2cccs2)c1 67768941 OGVHGMJQMPHAQH-LLVKDONJSA-N 331.397 2.615 30 40 EFEB O=C(c1ccccc1)N1Cc2ccccc2C[C@H]1/C(O)=N/c1ncn[nH]1 71897861 VOOQIXQMURNCIR-INIZCTEOSA-N 347.378 2.660 30 40 EFEB C=CCOc1ccc(C(=O)N2CCC[C@H](n3nc(C)nc3C)C2)cc1 72235391 NXOCYFLZYBNJKW-KRWDZBQOSA-N 340.427 2.937 30 40 EFEB N#Cc1ccc(N2CCN(C(=O)c3ccc4ncsc4c3)CC2)nc1 194562989 PDTVIWMIBOKWTP-UHFFFAOYSA-N 349.419 2.525 30 40 EFEB N#Cc1cnc2ccc(Cl)cc2c1NCCCN1C(=O)CCC1=O 96429435 LULBTDMLKVEIRT-UHFFFAOYSA-N 342.786 2.711 30 40 EFEB C=CCOC(=O)[C@H]1CC=CC[C@@H]1C(=O)Nc1ccc(NC(C)=O)cc1 5027312 ZTAVIYQYJMCSDZ-IRXDYDNUSA-N 342.395 2.895 30 40 EFEB CCCCCCC[C@@]1(C)NC(=O)N(CC(=O)NC2CCCC2)C1=O 101662424 HJRLWAXZFMTRSD-GOSISDBHSA-N 337.464 2.716 30 40 EFEB COc1cc(C#N)ccc1OC(=O)c1cc(C)nc2c1c(C)nn2C 24492640 OOHAOWGOUHEYQC-UHFFFAOYSA-N 336.351 2.685 30 40 EFEB C=C1CC[C@@]2(O)[C@@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5 100302039 WJBLNOPPDWQMCH-LRGNLBRXSA-N 339.435 2.513 30 40 EFEB in-vitro CN(Cc1cccc(C#N)c1)C(=O)COc1ccc([N+](=O)[O-])cc1 25101638 AMYNJKCDNZQMOS-UHFFFAOYSA-N 325.324 2.504 30 40 EFEB N#Cc1ccc(C(F)(F)F)c(NC[C@@H]2COC3(CCOCC3)O2)c1 97163671 SJCDVTGRBDQBOR-GFCCVEGCSA-N 342.317 2.911 30 40 EFEB COc1ccc(-c2nc(SC)nc(N3CCOCC3)c2C#N)cc1 28580462 MIPWDAUQHYWUJM-UHFFFAOYSA-N 342.424 2.582 30 40 EFEB N#Cc1cnn(C(=O)c2ccc3noc(-c4ccccc4)c3c2)c1N 58433758 AHWNLCZLFVYSOZ-UHFFFAOYSA-N 329.319 2.834 30 40 EFEB CN(C(=O)Nc1cccc(C#N)c1)C1CCN(C2CCOCC2)CC1 65576369 AEYRXPIAEUGBFG-UHFFFAOYSA-N 342.443 2.665 30 40 EFEB N#Cc1ccc(NC(=O)N[C@@H]2CCN(c3ccccc3F)C2=O)cc1 72281195 DKYXKZAEXMWJRT-OAHLLOKOSA-N 338.342 2.624 30 40 EFEB CC(C)Cn1nccc1NC(=O)[C@@H](C#N)c1nc2ccccc2n1C 95455110 SEWJQSZMBPNHKF-ZDUSSCGKSA-N 336.399 2.672 30 40 EFEB CC(=O)Nc1c[nH]nc1[C@H]1CCCN(c2cccc(F)c2C#N)C1 95999506 PXJUULOQYBODFF-LBPRGKRZSA-N 327.363 2.763 30 40 EFEB N#Cc1c(NC(=O)Cn2cnc([N+](=O)[O-])c2)sc2c1CCCCC2 31804508 IKQABFUJFLJPIU-UHFFFAOYSA-N 345.384 2.632 30 40 EFEB O=C1CCCN1Cc1nnc(SCC#Cc2ccc(Cl)cc2)o1 79015364 QIVKMMAWZGUQIM-UHFFFAOYSA-N 347.827 2.989 30 40 EFEB COC(=O)C1=C(C(=O)OC)/C(=N\c2ccccc2)c2ccccc2C1=O 104231619 JBZXFJHWMCMGMJ-FXBPSFAMSA-N 349.342 2.646 30 40 EFEB CC(C)(CNCc1cn(CCC#N)c2ccccc12)N1CCOCC1 22784174 PQPCYTUWTZXYEE-UHFFFAOYSA-N 340.471 2.755 30 40 EFEB CCCNC(=O)c1cccc(NCC(=O)NC2(C#N)CCCCC2)c1 47272981 HSTAFRXIFGHDEJ-UHFFFAOYSA-N 342.443 2.581 30 40 EFEB C=CCOc1ccc(Cl)c(C(=O)NCc2c(C)cc(C)[nH]c2=O)n1 65552672 QJKBESDZACHQGN-UHFFFAOYSA-N 347.802 2.535 30 40 EFEB CCCCNC(=S)N(C)/N=C/c1ccc(OCC#N)c(OC)c1 6428835 IVJUCTFMISZZPJ-XDHOZWIPSA-N 334.445 2.538 30 40 EFEB N#CCn1c(CN2CCc3sccc3C2)nc2ccccc2c1=O 14324813 KUIZZLPOAQUYBK-UHFFFAOYSA-N 336.420 2.540 30 40 EFEB N#Cc1cccc(CNC(=O)N2CCO[C@H](c3ccccc3F)C2)c1 67062551 KDLYBSSCRZCEOB-SFHVURJKSA-N 339.370 2.980 30 40 EFEB COc1ccc2cc(/C=N/Nc3nc4ccccc4[nH]3)c(=O)[nH]c2c1 9292898 MQUHRJWUUMNKDB-VXLYETTFSA-N 333.351 2.859 30 40 EFEB C[C@@H](Oc1ccc(C#N)cc1)C(=O)NCCCn1cnc2ccccc21 8174537 RDISLLLDFODDKU-OAHLLOKOSA-N 348.406 2.882 30 40 EFEB Cc1nccn1-c1ccc([C@H](C)NC(=O)c2ccc(C#N)cn2)cc1 89735846 POWSNOPKSZQOCK-ZDUSSCGKSA-N 331.379 2.938 30 40 EFEB N#Cc1ccc([C@@H]2C[C@@H](c3ccccc3)Oc3[nH]c(=O)[nH]c(=O)c32)cc1 226761719 FFWHJLWGDLPXOS-HOTGVXAUSA-N 345.358 2.591 30 40 EFEB CCN(C)C[C@@H]1CCN(Cc2c(C#N)c(C)nn2-c2ccccc2)C1 91071904 ZBWKJBXVNYEXSZ-KRWDZBQOSA-N 337.471 2.826 30 40 EFEB C=CCc1ccccc1OC[C@H](O)Cn1cnc2sccc2c1=O 12814400 XVVGBPQIJMBCKM-CQSZACIVSA-N 342.420 2.626 30 40 EFEB COc1ccc([C@@H]2CC(=O)/C(=C/N(C)C)C(=O)N2C(C)(C)C)cc1 100342745 DYWAMRSTRVGYGG-IRVMHKCDSA-N 330.428 2.782 30 40 EFEB N#Cc1ccc(NC(=O)Cn2c(=O)oc3ccccc32)cc1Cl 2627349 MVIWQJGELIKHHV-UHFFFAOYSA-N 327.727 2.758 30 40 EFEB COc1ccc2[nH]c3c(=O)n(/N=C/c4ccccc4F)cnc3c2c1 501157 PSMMWHFJKLSOEO-ZVBGSRNCSA-N 336.326 2.908 30 40 EFEB Cc1nc(CNC(=O)N2CC(Oc3ccc(C#N)cc3)C2)c(C)s1 97142063 KCOMWKJBAHLFQV-UHFFFAOYSA-N 342.424 2.604 30 40 EFEB N#CCCN(c1ccccc1)S(=O)(=O)c1ccc2c(c1)CCO2 108759920 JLOMNMYTLUOZMJ-UHFFFAOYSA-N 328.393 2.730 30 40 EFEB COC(=O)COc1ccc(C(=O)/C=C/c2ccc(OC)c(O)c2)cc1 58246331 JRIGWDOYKRXOHH-YCRREMRBSA-N 342.347 2.849 30 40 EFEB N#CC1CCN(C(=O)NCc2ccc(N3CCCCC3=O)cc2)CC1 58331686 UJUNNWQDFYMCSM-UHFFFAOYSA-N 340.427 2.649 30 40 EFEB N#Cc1cccc(CN2C(=O)N[C@]3(CCCc4ccccc43)C2=O)c1 8727488 XGURWADXPBHZJS-FQEVSTJZSA-N 331.375 2.842 30 40 EFEB N#Cc1ccc(N2CCC(NCc3ccc(F)cc3F)CC2)nc1 67011075 HHGWDVBREUHYNO-UHFFFAOYSA-N 328.366 2.990 30 40 EFEB O=C1[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)N1N=Cc1ccccc1C(F)(F)F 409408098 PEODXNJUYQVJOT-TXFQPVFDSA-N 334.297 2.846 30 40 EFEB N#Cc1ccc(CNC(=O)NC[C@@H]2CCN(Cc3ccccc3)C2)cc1 194010669 BAALLNKOZGQEJF-FQEVSTJZSA-N 348.450 2.880 30 40 EFEB Cc1cc(C)cc(N(C)S(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)c1 89585273 UNBHEKDHOCIHCM-UHFFFAOYSA-N 345.380 2.908 30 40 EFEB CCC[C@@H](C)CC(=O)[C@H](C#N)C(=O)NCCc1ccc(OC)cc1 101996616 VAMLOGJWOXYGMK-PBHICJAKSA-N 330.428 2.889 30 40 EFEB N#Cc1cc(Br)ccc1N1CCC(OCCCO)CC1 96501541 CVSRAJDWOWBGLJ-UHFFFAOYSA-N 339.233 2.689 30 40 EFEB C=CCNC(=O)c1nnn(-c2ccc(Cl)cc2)c1-c1cccnc1 38652232 QUMHYSVTEVLEOE-UHFFFAOYSA-N 339.786 2.899 30 40 EFEB CCOC(=O)c1cn(CCC#N)nc1-c1ccc(OC)c(OC)c1 4516895 UZXVIPVTUJZCNO-UHFFFAOYSA-N 329.356 2.658 30 40 EFEB C=C[C@H]1CN2CC[C@H]1C[C@@H]2CNC(=S)Nc1ccc(C#N)cc1 8254577 KKCGANUMVWSTTK-YQQAZPJKSA-N 326.469 2.741 30 40 EFEB biogenic,in-vitro Cc1csc([C@@H](C#N)C(=O)c2cccc3c2O[C@@H](C)C(=O)N3)n1 103795968 LJNMTRYXFPTKIS-ONGXEEELSA-N 327.365 2.661 30 40 EFEB N#Cc1c(NC(=O)NCCc2ccc(F)cc2)sc2c1CCNC2 47672027 YHPYFJCERDCWSU-UHFFFAOYSA-N 344.415 2.769 30 40 EFEB C#CCOc1ccccc1CNC1CCN(C(=O)c2ccco2)CC1 42206758 INWMZDHGAUEWLA-UHFFFAOYSA-N 338.407 2.686 30 40 EFEB CCCCCCCCCCNCCOCCOCCOCCO 100923925 GGOGEKFDVDEZDX-UHFFFAOYSA-N 333.513 2.759 30 40 EFEB C#CCN1CCC(C(=O)N2CCO[C@H](c3ccccc3Cl)C2)CC1 69980337 SQSKHHWVIBIIFL-SFHVURJKSA-N 346.858 2.585 30 40 EFEB O=C(O)C[n+]1c(SCCOc2ccccc2)[nH]c2ccccc21 6112110 DIFSJPMGIJWIGW-UHFFFAOYSA-O 329.401 2.711 30 40 EFEB COc1ccc([C@H]2CC(=O)/C(=C/N(C)C)C(=O)N2C(C)(C)C)cc1 5624918 DYWAMRSTRVGYGG-RTYFKUQISA-N 330.428 2.782 30 40 EFEB C[C@H](Sc1nnc2ccccn12)C(=O)N(C)C1(C#N)CCCCC1 7297239 QCYDQCDYKXGHIU-ZDUSSCGKSA-N 343.456 2.895 30 40 EFEB COc1ccc(CNC(=O)[C@@H](C)Oc2ccc(C#N)cc2)cc1OC 15682902 JFFHJJROISTATK-CYBMUJFWSA-N 340.379 2.659 30 40 EFEB C=CCN1C(=O)S/C(=C/c2ccc(OCC(=O)OCC)cc2)C1=O 409063668 DIEBXUWLDPTFEQ-GXDHUFHOSA-N 347.392 2.851 30 40 EFEB N#Cc1cccnc1N1CCN(c2ncc(Cl)cc2Cl)CC1 71873533 SWPUUMIBNRXFDA-UHFFFAOYSA-N 334.210 2.982 30 40 EFEB CCCCCCCCCCCCOC(=O)C[C@@H]1NCCNC1=O 97940417 RUKMGTJGNDECEQ-INIZCTEOSA-N 326.481 2.929 30 40 EFEB in-vitro CC/N=C(/NCCc1cccnc1)NC[C@@H]1CCO[C@H]1C(C)(C)C 95963222 NTJBUEYRTPAWNI-DLBZAZTESA-N 332.492 2.630 30 40 EFEB CCC(=O)N1CC[C@@H](NCc2ccc(OC)c(C#N)c2)[C@@H](CC)C1 89948880 XZZNEXUEJKZSQE-DOTOQJQBSA-N 329.444 2.694 30 40 EFEB N#C[C@]1(C=O)[C@@H](c2ccccc2)[C@H]1S(=O)(=O)c1ccc(Cl)cc1 218054895 LAOQKYXEDYTYNM-BBWFWOEESA-N 345.807 2.989 30 40 EFEB Cc1cc(C)c2c(OCC(=O)Nc3sccc3C#N)nn(C)c2n1 96403696 GUCUDJWMWAGVTK-UHFFFAOYSA-N 341.396 2.536 30 40 EFEB C[C@H](CN[C@@H](C(N)=O)c1ccc(C#N)cc1)Oc1ccccc1Cl 96437227 MULXTTMCIGGDTL-SJKOYZFVSA-N 343.814 2.795 30 40 EFEB N#Cc1ccc(NCC(=O)Nc2cnn([C@@H]3CCCCO3)c2)cc1 585128205 VSPDKHJPEJKHQW-KRWDZBQOSA-N 325.372 2.504 30 40 EFEB CCOC(=O)[C@@H]1CCC/C1=N\Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 15635879 RKNJNYYCAGXQGL-YMQUWAGYSA-N 336.304 2.634 30 40 EFEB COc1cccc([C@@H]2C3=C(CC(C)(C)CC3=O)OC(N)=C2[N+](=O)[O-])c1 51876 VXNWDCQJJOAQAJ-CQSZACIVSA-N 344.367 2.857 30 40 EFEB C=CCn1c(N)c(C(=O)O[C@H](C)COC)c2nc3ccccc3nc21 551892 JSDWXBIUTOYPTM-LLVKDONJSA-N 340.383 2.544 30 40 EFEB N#Cc1ccccc1NC(=O)c1c(O)n2c3c(cccc3c1=O)CCC2 1305959 CSTGKBXXZMVLAU-UHFFFAOYSA-N 345.358 2.777 30 40 EFEB Cc1cccc(C(=O)OCC(=O)N(CCC#N)c2ccccc2)c1O 3237706 OSMSDJTVCHMCSA-UHFFFAOYSA-N 338.363 2.804 30 40 EFEB CN(C)c1ccc(/C=N/c2ccc3[nH]c(=O)[nH]c3c2)cc1[N+](=O)[O-] 101653966 MWFNDSVOJCRNCW-RQZCQDPDSA-N 325.328 2.581 30 40 EFEB Cc1cc(C(=O)NC2CCN(c3cc(Cl)ccc3C#N)CC2)no1 95398913 ALXNVJUTYCLGPE-UHFFFAOYSA-N 344.802 2.907 30 40 EFEB N#Cc1c(F)cccc1Oc1ccc(NC(=O)Cn2ccnn2)cc1 95408466 XVNVNPXROMRIPN-UHFFFAOYSA-N 337.314 2.720 30 40 EFEB C#CCN(C(=O)CCc1nc(C2CCCC2)no1)c1nccs1 95417014 FPLSICRLECJODI-UHFFFAOYSA-N 330.413 2.783 30 40 EFEB N#C[C@H](NC(=O)CC1(O)CCCCC1)c1cnn(-c2ccccc2)c1 73424559 SLVZGWDCDUARFR-KRWDZBQOSA-N 338.411 2.638 30 40 EFEB Cc1cccc2c(=O)n(CCC(=O)N[C@@](C)(C#N)CC(C)C)cnc12 95957869 FDNFGJXOMWLOMT-LJQANCHMSA-N 340.427 2.540 30 40 EFEB C[C@@H]1Oc2c(/C(O)=N/S(=O)(=O)c3cccnc3)cccc2[C@@H]1C 75797348 VKQOYHNROQYOSC-MNOVXSKESA-N 332.381 2.660 30 40 EFEB C/C(=N\N=C1/NC(=O)[C@@H](CC(=O)O)S1)C12CC3CC(CC(C3)C1)C2 72433981 PRXGKFOECRVXLF-ZFTXGQLMSA-N 349.456 2.641 30 40 EFEB O=c1[nH]ncc(N/N=C/c2cccc(Cl)c2)c1Br 36151466 OOUUMBIWAYCGIY-LHHJGKSTSA-N 327.569 2.632 30 40 EFEB C=CCOC[C@]12CCCO[C@H]1CCN(C(=O)c1cccc(C)n1)C2 96039655 QOTQUTGGJMFADN-PKOBYXMFSA-N 330.428 2.604 30 40 EFEB Cc1nc(C)c(S(=O)(=O)/N=C(\O)c2ccc(F)cc2F)s1 96446952 HOFXRIXBJHDASU-UHFFFAOYSA-N 332.353 2.732 30 40 EFEB COCC[S@@](=O)Cc1cccc(NC(=O)C2(C#N)CCCC2)c1 96408237 BPVGHHONCMJFHW-QHCPKHFHSA-N 334.441 2.604 30 40 EFEB Cn1n[n+](CC(=O)c2ccc(Br)cc2)c2ccccc21 15962069 WKLUIFOBBKLRKP-UHFFFAOYSA-N 331.193 2.506 30 40 EFEB C=CCOc1ccccc1C(=O)N1CCCN(C[C@@H]2CCCO2)CC1 40540303 BQQWPWVUNNJHKV-KRWDZBQOSA-N 344.455 2.578 30 40 EFEB Cn1cc(/C=C/C(=O)Nc2cccc(C#Cc3ccccn3)c2)cn1 42622079 GLDLUOXTXUUTJZ-PKNBQFBNSA-N 328.375 2.867 30 40 EFEB N#Cc1ccc(NCCCN2C(=O)CCC2=O)cc1C(F)(F)F 67372274 BMTMVASHYGQBRX-UHFFFAOYSA-N 325.290 2.528 30 40 EFEB CCOc1ncc(C(=O)[C@H](C#N)C(=O)NC2CCCCC2)cc1Cl 112483873 DESNHFCAIIKRJG-ZDUSSCGKSA-N 349.818 2.905 30 40 EFEB CC/N=C(\NCc1ccc(F)cc1CSC)NCc1nccn1C 97021812 PXEDAXSUXDGYDD-UHFFFAOYSA-N 349.479 2.678 30 40 EFEB C=CCOc1ccc(C(=O)N2C[C@@H](CC)[C@@H](N(C)C)C2)cc1OC 89948521 HHDARRCWMPWOKD-ZBFHGGJFSA-N 332.444 2.672 30 40 EFEB Cc1cc(CN/C(=N/[C@H](C)[C@H]2CCCO2)NCc2cccs2)on1 75611983 KDMUMHWGNXIWQZ-CZUORRHYSA-N 348.472 2.847 30 40 EFEB CCc1ocnc1/C(O)=N/S(=O)(=O)c1ccc(C)c(Cl)c1 80298886 FMJBATIJCPOPDV-UHFFFAOYSA-N 328.777 2.892 30 40 EFEB CCOc1cc(C(=O)[C@H](C#N)c2nnc(-c3ccccc3)n2C)ccn1 96410813 PZLSGQBTABMTJF-HNNXBMFYSA-N 347.378 2.766 30 40 EFEB N#Cc1ccc(CNC(=O)NC[C@@H](O)c2ccc(Cl)c(F)c2)cc1 95447189 UMRIRXHOLFTMGI-MRXNPFEDSA-N 347.777 2.884 30 40 EFEB C#CCCC1(CCC(=O)N[C@H]2C[C@@H](C(=O)O)c3ccccc32)N=N1 1616030289 AKXISLJQMQHNEQ-CABCVRRESA-N 325.368 2.772 30 40 EFEB C=CCn1c(S[C@@H](C)C(=O)OC)nc2c(oc3ccccc32)c1=O 12959491 RNCWSCQVHWEBLN-JTQLQIEISA-N 344.392 2.982 30 40 EFEB COc1ccccc1/C(N)=N/OCC(=O)N(c1ccccc1)C(C)C 50511860 KABROYFWOWUNJU-UHFFFAOYSA-N 341.411 2.774 30 40 EFEB Cc1cc(C)n(CCCNC(=O)CSCc2ccc(C#N)cc2)n1 47717499 NOIDNVAYARXRDE-UHFFFAOYSA-N 342.468 2.811 30 40 EFEB COc1ccc([C@@H](C)NC(=O)COC(=O)c2ccc(C#N)cc2)cc1 57471955 WXUGPJNQZOJOSP-CYBMUJFWSA-N 338.363 2.601 30 40 EFEB COc1ccc(OC)c2c1CN(c1ccc(C#N)cc1F)C[C@@H]2O 58343032 NHICJNIYRYMEMS-HNNXBMFYSA-N 328.343 2.768 30 40 EFEB COc1ccccc1NC(=O)C[C@@H]1S/C(=N\C2CCCC2)NC1=O 12995482 QIEPBYNNTXNZDA-AWEZNQCLSA-N 347.440 2.554 30 40 EFEB CC(C)Oc1ccc(C(=O)OCC(=O)N[C@](C)(C#N)C(C)C)cc1 4331729 XRNUATCHNXGDQK-GOSISDBHSA-N 332.400 2.685 30 40 EFEB C=CCn1c(C)cc(C(=O)COc2cccc(-n3cnnn3)c2)c1C 5672857 YINGVXYPQZBTPG-UHFFFAOYSA-N 337.383 2.528 30 40 EFEB N#Cc1ccccc1N1CCN(c2nccc(C(F)(F)F)n2)CC1 69350673 NOEYWRYXJPNCSC-UHFFFAOYSA-N 333.317 2.694 30 40 EFEB CC[C@H]1CN(C(=O)c2ccc(COc3ccc(C#N)cc3)o2)CCO1 69490194 OZBLUKFBMLEIDZ-HNNXBMFYSA-N 340.379 2.981 30 40 EFEB CC(=O)N1CCC(=NOC(=O)c2ccc(Br)cc2)CC1 408608999 NJEBKWSTWWNWRQ-UHFFFAOYSA-N 339.189 2.604 30 40 EFEB CN(C)CCN(C)C(=O)NCc1cccc(-c2ccc(C#N)s2)c1 96447358 CPXKGPLPXJEKAV-UHFFFAOYSA-N 342.468 2.990 30 40 EFEB C=CCO[C@H](C)C(=O)N[C@@H]1CCN(c2ccccc2OC(F)F)C1 96408154 BBOQRUIUULNWDX-CHWSQXEVSA-N 340.370 2.574 30 40 EFEB CC1=C(C)/C(=N\OS(=O)(=O)c2ccc(Cl)cc2)C=CC1=O 3078117 JBTZQUGVGOJRIE-SSZFMOIBSA-N 325.773 2.877 30 40 EFEB C=CCc1cc(C(=O)N2CCC(C(=O)OCC)CC2)ccc1OC 14397552 SZBMCNVMWFNUQI-UHFFFAOYSA-N 331.412 2.839 30 40 EFEB CNC(=O)[C@@H](C#N)C(=O)c1cc2cc(Br)cc(C)c2o1 102317518 JROYKQVQUXUIEK-JTQLQIEISA-N 335.157 2.572 30 40 EFEB COc1ccc(F)cc1CSCC(=O)N(CCC#N)CCC#N 71862860 FHOZGTHCEKFSIE-UHFFFAOYSA-N 335.404 2.723 30 40 EFEB N#C[C@@H](C(=O)NC1CC1)c1nc2ccccc2nc1N1CCCCC1 522977 YTTGVQINZCUQAD-CQSZACIVSA-N 335.411 2.506 30 40 EFEB CCOC(=O)c1sc(NC(=O)COc2ccc(C#N)cc2)nc1C 3299321 LMZFXLPETFUMRS-UHFFFAOYSA-N 345.380 2.517 30 40 EFEB C[C@H](c1nc(-c2ccc(Cl)cc2)no1)N1CCN(CC#N)CC1 58268241 VTSWDYKRHBQXNY-GFCCVEGCSA-N 331.807 2.592 30 40 EFEB C#CCN(Cc1ccc(C)cc1)C(=O)NCCC(=O)N1CCCCC1 58393737 PLSJHFKUEHCHEV-UHFFFAOYSA-N 341.455 2.542 30 40 EFEB C=CCO[C@@H](C)C(=O)NCc1ccnc(OCc2ccccc2)c1 58405083 FABFAEXCHUBJAO-HNNXBMFYSA-N 326.396 2.868 30 40 EFEB CCCC(=O)O[C@H]1CC(C)=C2C(=O)C=C(C)[C@@H]2[C@H]2OC(=O)[C@@H](C)[C@H]12 6273122 DUNHHJIMSHSKLR-CLPQOKMOSA-N 332.396 2.741 30 40 EFEB biogenic O=S(=O)(c1ccc(N/N=C/c2ccccc2)nc1)N1CCCCC1 6507321 LJWMIIKWPORMEE-CPNJWEJPSA-N 344.440 2.702 30 40 EFEB COCCCn1c(C)c(C)c(C#N)c1NC(=O)CN1CCC(C)CC1 8318188 UYBMBCNLCBUQRR-UHFFFAOYSA-N 346.475 2.684 30 40 EFEB CCOC(=O)c1csc(N/N=C/c2ccc(OC)c(OC)c2)n1 8477490 MJBGYIJETXTHES-LZYBPNLTSA-N 335.385 2.783 30 40 EFEB C#CCN1CCCC[C@H]1C(=O)Nc1nc(-c2ccsc2)ns1 72275006 ZGEAFAFFLFHCOS-LBPRGKRZSA-N 332.454 2.693 30 40 EFEB CCO[C@@H]1C[C@@H](O)C12CCN(c1cc(C#N)nc3ccccc13)CC2 95403274 ZXGUYDNUXXNTNY-RTBURBONSA-N 337.423 2.863 30 40 EFEB N#Cc1cc(N2CCC[C@@H](C(=O)NCC3CC3)C2)c2ccccc2n1 89866625 XTUNAOAOHZNMHD-OAHLLOKOSA-N 334.423 2.849 30 40 EFEB N#Cc1ccc(N2CC[C@H](Oc3cncc(Br)c3)C2)nc1 521398578 QYCCFCWVQJUNAP-ZDUSSCGKSA-N 345.200 2.768 30 40 EFEB O=C(NCC#CCN1CCCC1)Nc1cccc(C(F)(F)F)c1 75164689 LBIGIQSQYVDWKE-UHFFFAOYSA-N 325.334 2.926 30 40 EFEB C=CCNc1ncc(C(=O)NCc2nc(-c3cccs3)no2)s1 95429481 NLPVREOHTQRHNX-UHFFFAOYSA-N 347.425 2.783 30 40 EFEB CN(C)c1ccc([C@H]2CCCN2c2ncc(C#N)cc2Cl)nn1 591612356 FXRCKNTUDQZDJD-CQSZACIVSA-N 328.807 2.804 30 40 EFEB C=CCn1cnnc1S[C@H](C)C(=O)N[C@H](C)[C@@H]1C[C@H]2CC[C@H]1C2 105930565 DOIQHLRWNUZHHZ-MRLBHPIUSA-N 334.489 2.886 30 40 EFEB O=C(O)c1ccc(N/N=C/c2ccc(N3CCOCC3)s2)cc1 20925700 HLEFBRZBKCCZHC-GZTJUZNOSA-N 331.397 2.729 30 40 EFEB N#C[C@H](C(=O)Nc1cccc(Cl)c1)C(=O)c1ccn2cncc2c1 101966162 JIARFEISUHRYHO-HNNXBMFYSA-N 338.754 2.949 30 40 EFEB O=C(CCc1nc(-c2ccccc2)no1)NCC#Cc1ccccc1 32899033 DYHLJKHHVMDJKR-UHFFFAOYSA-N 331.375 2.837 30 40 EFEB N#Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCc2sccc2C1 8734971 QLNUVIXOJJKIHV-UHFFFAOYSA-N 342.380 2.525 30 40 EFEB C=CCN(Cc1cccs1)C(=O)c1cccc(-n2cnnn2)c1 37107268 CYDDBWAEEMLSIH-UHFFFAOYSA-N 325.397 2.552 30 40 EFEB COc1ccc(CN2C(=O)/C(=N\O)c3cc(C)ccc32)cc1OC 2700837 BLEQJZFVIDOGIN-ZPHPHTNESA-N 326.352 2.737 30 40 EFEB Cc1cc([N+](=O)[O-])cc(/C=N/n2c(C)nc3ccccc3c2=O)c1O 531479 QLTQZWVOUNTISN-GIJQJNRQSA-N 338.323 2.509 30 40 EFEB Cc1ccc(S(=O)(=O)O[C@@H]2[C@H]3[C@@H]4S[C@H]5[C@H]6C[C@@H]([C@H]25)[C@@H]3[C@H]64)cc1 104055777 IJOQHVCJLFLQPZ-MJJXRLSDSA-N 334.462 2.695 30 40 EFEB C[C@@H](C(=O)NC1(C#N)CCCCC1)N1CCN(c2ccccc2)CC1 57024226 SGARJHZIMPLIOV-KRWDZBQOSA-N 340.471 2.540 30 40 EFEB N#Cc1ccccc1CN1C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C1=O 3382332 CXUURMBQCVHSFX-SFHVURJKSA-N 344.374 2.703 30 40 EFEB COCc1ccc([C@H]2CCCN2C(=O)Nc2ccn(CCC#N)n2)o1 97161646 UABGGJALXZGHCH-CQSZACIVSA-N 343.387 2.905 30 40 EFEB C#CCN(Cc1ccc(C)cc1)C(=O)[C@@H]1CCCN(C(=O)CC)C1 58277498 MZQRJWZGBYUZPQ-GOSISDBHSA-N 326.440 2.605 30 40 EFEB Cc1ccccc1OCCN(C)c1ncnc2c1cnn2CCC#N 97200358 ITGNAYKCBHFDIC-UHFFFAOYSA-N 336.399 2.564 30 40 EFEB COC(=O)[C@H](C#N)c1nc2ccccc2nc1NCCCOC(C)C 29164437 RPQRYCDMAWTBJE-CYBMUJFWSA-N 342.399 2.637 30 40 EFEB CCOC(=O)c1cc(C#N)c(S[C@H](C)C(=O)N2CCCC2)nc1C 8735240 IFAHMIYKQNIESA-GFCCVEGCSA-N 347.440 2.541 30 40 EFEB C=CCNC(=O)[C@@H](C)SCc1ccc(C(=O)N2CCCC2)cc1 65591298 RZBVULISPIPNDX-CQSZACIVSA-N 332.469 2.847 30 40 EFEB CCC[C@@H](C#N)NC(=O)[C@@H](C)n1c(S)nnc1-c1cccs1 65591097 ZXVVGMDECPTKOF-ZJUUUORDSA-N 335.458 2.665 30 40 EFEB COc1ccccc1Nc1nc(NN)c2c(c1C#N)CC(C)(C)OC2 6670281 XMSNDOLBGMNPBL-UHFFFAOYSA-N 339.399 2.842 30 40 EFEB CC(C)(C#N)C(=O)N1CCN([C@@H](c2ccccc2)C(F)(F)F)CC1 71902989 CAYAPYULBSKYBR-AWEZNQCLSA-N 339.361 2.984 30 40 EFEB C=CCOc1ccc(C(=O)N2C[C@H](CC)[C@H](N(C)C)C2)cc1OC 89948524 HHDARRCWMPWOKD-GOEBONIOSA-N 332.444 2.672 30 40 EFEB Cc1ccccc1OCCN1C(=O)/C(=N\O)c2cc([N+](=O)[O-])ccc21 46084747 OJRIJXUJVTXHNA-VLGSPTGOSA-N 341.323 2.507 30 40 EFEB Cc1cn2c(n1)CC[C@@H](NCc1cn(C)nc1-c1ccc(C#N)cc1)C2 97232516 NKBUEGUAKYYMMP-GOSISDBHSA-N 346.438 2.568 30 40 EFEB Cc1nsc(NC(=O)N[C@@H](C)[C@@H]2C[C@H](C(=O)O)C2(C)C)c1C#N 593960647 BBOPQECTFCKYCC-INTQDDNPSA-N 336.417 2.580 30 40 EFEB N#Cc1ccc(C(=O)N[C@H]2CC[C@H](Oc3ncc(F)cn3)CC2)cc1 252537470 LHCWGGPNFOLERI-WKILWMFISA-N 340.358 2.607 30 40 EFEB COc1ccc(CCC(=O)[C@@H](C#N)C(=O)NC2CCCCC2)cc1 50679035 LSVCSRORRRQVAQ-QGZVFWFLSA-N 328.412 2.786 30 40 EFEB CC[C@@H](C)NC(=O)C1CCN(c2oc(-c3ccco3)nc2C#N)CC1 40511876 GRAVTWFBXMTXMO-GFCCVEGCSA-N 342.399 2.937 30 40 EFEB C=CCOc1cccc(/C=C2\C(=O)N(CC)C(C)=C2C(=O)OC)c1 59435696 CNLWDQLXABWQTF-VBKFSLOCSA-N 327.380 2.944 30 40 EFEB C#CCNC(=O)[C@@H](C)Nc1cccc(OCc2cccc(F)c2)c1 56203802 AUDKAADMYXWXOZ-CQSZACIVSA-N 326.371 2.955 30 40 EFEB Cc1cc(O)c(CN2CCCN(c3ncccc3C#N)CC2)cc1C 57105155 YVOGIUCEMVBCGC-UHFFFAOYSA-N 336.439 2.988 30 40 EFEB N#Cc1cccc(NC(=O)COC(=O)c2ccc(Cl)cc2N)c1 3229749 HRVBXGIPDKCUCW-UHFFFAOYSA-N 329.743 2.589 30 40 EFEB COc1cccc(S(=O)(=O)/N=C(O)/C=C/c2cccc(C#N)c2)c1 58187469 JBPOSNIYZIKTRX-CMDGGOBGSA-N 342.376 2.925 30 40 EFEB COc1cc(C(=O)Nc2cc(C)nn2CCC#N)cc(OC)c1C 58289314 XJGXOSHZQONMPA-UHFFFAOYSA-N 328.372 2.683 30 40 EFEB CCOc1ccc(/C(O)=N/S(=O)(=O)c2cccc(C(C)=O)c2)cc1 45097905 VUEDCVZGAUTKHZ-UHFFFAOYSA-N 347.392 2.981 30 40 EFEB CN1CCN(Cc2ccccc2CNCc2cccc(C#N)c2)CC1 48783112 VZJBJZCFGKXVMG-UHFFFAOYSA-N 334.467 2.595 30 40 EFEB C=CCNCc1ccc(Oc2nnnn2-c2ccccc2)c(OC)c1 13717758 ZHMBHSXTXFLGDP-UHFFFAOYSA-N 337.383 2.739 30 40 EFEB CCc1cc(/C(Cc2nc3ccccc3n2C)=N/O)c(O)cc1O 4651832 NHBKGWABPYPLFG-XSFVSMFZSA-N 325.368 2.968 30 40 EFEB C=CCN1C(=O)N/C(=C/c2ccc(O[C@@H](C)CC)c(OC)c2)C1=O 409128386 OMXIBWALIWBLFV-LQELWAHVSA-N 330.384 2.951 30 40 EFEB CC(=O)c1ccc(C#N)c(N2CCCN(C(=O)c3ccncc3)CC2)c1 96013710 CEKSSQCUWKDOOO-UHFFFAOYSA-N 348.406 2.508 30 40 EFEB C#CCOc1ccc(CN2CCC(CC(=O)N3CCCC3)CC2)cc1 92056499 TYZAUMFPCQOAAJ-UHFFFAOYSA-N 340.467 2.923 30 40 EFEB N#Cc1cc(Br)ccc1N1CCOC2(CCOCC2)C1 97083947 RFYIOIOMNHNKBP-UHFFFAOYSA-N 337.217 2.707 30 40 EFEB Cc1cc(C)n(-c2ccc(Cn3nc(C)c(C)c(C#N)c3=O)cc2)n1 30571471 JEHPHMOJLQATSY-UHFFFAOYSA-N 333.395 2.583 30 40 EFEB N#CCCCS(=O)(=O)N[C@@H]1CCCOc2cc(Cl)ccc21 96492910 BIONPDPBCJBAKI-CYBMUJFWSA-N 328.821 2.777 30 40 EFEB CC/N=C1\NC(=O)[C@H](CC(=O)Nc2cccc(Cl)c2Cl)S1 6349365 VKUGQJUYVJEFAA-VIFPVBQESA-N 346.239 2.930 30 40 EFEB C#CCOc1ccc(/C=C2\NC(=S)N(CCC)C2=O)cc1Cl 3667683 RBAVZCKUYZWGAI-RAXLEYEMSA-N 334.828 2.820 30 40 EFEB Cc1cc(C)n(/N=C/c2cc([N+](=O)[O-])ccc2Cl)c(=O)c1C#N 358331 RJBYZOYXXWZMGY-QGMBQPNBSA-N 330.731 2.781 30 40 EFEB CCOc1ccccc1[C@H]1C(C(=O)OC)=C(N)OC2=C1C(=O)CCC2 2734816 DSOAVWLIECOIJR-OAHLLOKOSA-N 343.379 2.550 30 40 EFEB Cc1csc([C@H](C#N)C(=O)c2cccc3c2O[C@H](C)C(=O)N3)n1 103795964 LJNMTRYXFPTKIS-MWLCHTKSSA-N 327.365 2.661 30 40 EFEB C=CCN(C(=O)Cc1ccc2ccccc2c1)[C@@H]1CCS(=O)(=O)C1 58214626 HYHRMLFMVWGVKC-GOSISDBHSA-N 343.448 2.584 30 40 EFEB CN1C(=O)C[C@H](C(=O)O)S/C1=N\c1cccc(C(F)(F)F)c1 100262406 YFUCTAGBQAOWKN-VGGUHSJCSA-N 332.303 2.741 30 40 EFEB COc1cc(/C(O)=N/S(=O)(=O)c2cccc(C#N)c2)ccc1C 48599256 BQFGFFKQLKACPX-UHFFFAOYSA-N 330.365 2.569 30 40 EFEB C[C@H]1C(c2ccc(F)cc2)=[N+]([O-])[C@](C)(C(=O)c2ccccc2)N1O 3904792 FYCWPWVYFWSEQI-KPZWWZAWSA-N 328.343 2.818 30 40 EFEB C=CCn1c(SCC(=O)NC(=O)NCCC)nc2ccccc21 4485658 BIIQGKGDLVHEFQ-UHFFFAOYSA-N 332.429 2.550 30 40 EFEB C=CCCC(=O)Nc1c(C(=O)N2CCOCC2)oc2ccccc12 65562197 SHFOFRHPTWXWTH-UHFFFAOYSA-N 328.368 2.810 30 40 EFEB COc1cccc(NC(=O)CN(C)c2ccc([N+](=O)[O-])cc2C#N)c1 5689483 GIDHBNUMHZGFGQ-UHFFFAOYSA-N 340.339 2.550 30 40 EFEB Cc1cc(NC(=O)CSc2ncc(C#N)c(N)n2)ccc1Cl 4935432 DFLNPPYRZXELKM-UHFFFAOYSA-N 333.804 2.623 30 40 EFEB C[C@@H]1CN(c2nccnc2C#N)CCN1Cc1cccc(F)c1Cl 93189221 NVFDPVQVEPCBTE-GFCCVEGCSA-N 345.809 2.851 30 40 EFEB Cc1ccc(NC(=O)COC(=O)COc2ccccc2C#N)cc1F 7698914 VTVSQWXQFWHGER-UHFFFAOYSA-N 342.326 2.567 30 40 EFEB Cc1nnc(-c2cccc(C#N)c2)n1CC(=O)N(C1CC1)[C@@H](C)C1CC1 95399628 YHLAHINRZCYGIH-ZDUSSCGKSA-N 349.438 2.915 30 40 EFEB C[C@@H](OC[C@H]1CCCCO1)/C(O)=N/S(=O)(=O)C1CCCCC1 75126170 ZRALEIHEZHMKNP-CHWSQXEVSA-N 333.450 2.580 30 40 EFEB CCN1C(=O)C(CC(=O)O)=C(C(=O)c2cccc(C)c2)[C@H]1SC 62716325 RZRLZFLAOHUMPD-QGZVFWFLSA-N 333.409 2.500 30 40 EFEB CC(C)(C)n1cc(C#N)cc1NC(=O)[C@@H]1CCCN(C(=O)C2CC2)C1 78665200 PZHVHTWCMSFVET-OAHLLOKOSA-N 342.443 2.702 30 40 EFEB C[C@H](c1cccnc1)N1CCN(C(=O)C2(C#N)CCCCC2)CC1 79353255 HJRLPAAKOVTEOE-MRXNPFEDSA-N 326.444 2.761 30 40 EFEB CC/N=C(\NCc1c(C)noc1C)NC[C@@H]1CCO[C@H]1C(C)(C)C 95406338 FARYDZNIZZEAAF-GOEBONIOSA-N 336.480 2.798 30 40 EFEB CCN1CCC2(CC1)C[C@H](NC(=O)C1(C#N)CC1)c1ccccc1O2 96093973 YXXCMXZFAQNYRN-INIZCTEOSA-N 339.439 2.785 30 40 EFEB CC[N+]1(CC(=O)c2ccccc2)CCO[C@](O)(c2ccccc2)C1 1668053 SHIQEJHMCRIJHH-BGERDNNASA-N 326.416 2.582 30 40 EFEB CN1CCC(C#N)(NC(=O)c2cccc(C(F)(F)F)c2F)CC1 79891346 SRKDAULJOLDEIK-UHFFFAOYSA-N 329.297 2.562 30 40 EFEB N#CC1(NC(=O)CSc2nc(C3CCCC3)n[nH]2)CCCCC1 12103967 BPHXLVGBASNMHF-UHFFFAOYSA-N 333.461 2.897 30 40 EFEB COc1cc(/C=N/Nc2ccc(C(=O)O)cc2)ccc1OCC#N 7890803 NHBGEYSCIFAOBG-YBFXNURJSA-N 325.324 2.742 30 40 EFEB Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)Nc1cnc2ccccc2c1 72235838 RIXGIEFOMDZOAW-UHFFFAOYSA-N 346.390 2.983 30 40 EFEB O=[N+]([O-])c1cc(/C=N/O)ccc1N1CCN(Cc2ccccc2)CC1 35363540 BAIYXYGFXXVOCK-CPNJWEJPSA-N 340.383 2.725 30 40 EFEB N#Cc1c(N)sc(C(=O)O)c1CSc1ccc2c(c1)OCCO2 8727098 PSXHHUNHSVSYCE-UHFFFAOYSA-N 348.405 2.964 30 40 EFEB C=CCSc1nc2c(c(=O)[nH]1)[C@@H](c1ccc(OC)cc1)CC(=O)N2 9348910 BKNPEQBXNZDSOB-GFCCVEGCSA-N 343.408 2.531 30 40 EFEB CC(C)(C)OC(=O)N1CCC[C@H](CNC(=O)c2ccc(C#N)cc2)C1 69414671 IXMCQMPCHHRWHV-OAHLLOKOSA-N 343.427 2.935 30 40 EFEB Cc1nnc(NCCCCCc2n[nH]c(N)c2C#N)c2ccccc12 24717133 ULCBYYQARNFIEH-UHFFFAOYSA-N 335.415 2.940 30 40 EFEB COc1ccc(/C=N\NC(=S)N/N=C\c2ccc(OC)cc2)cc1 31858882 IFRJZSUFZHHXKD-ZAORYEFMSA-N 342.424 2.536 30 40 EFEB N#CC1(C#N)[C@@H](c2cccnc2)O[C@@]23CCCCC[C@H]2[C@]1(C#N)C(=N)O3 5068766 PWRHDKABVDIAPR-OSGQAZFXSA-N 347.378 2.981 30 40 EFEB CC(=O)Nc1cccc2c1C(=O)C(Cl)=C(N1CCCCC1)C2=O 92364 OJQBMQNNENIBNV-UHFFFAOYSA-N 332.787 2.960 30 40 EFEB CC(=O)N1CC[C@@H](C(=O)Oc2ccc(-c3ccc(C#N)cc3)cc2)C1 79017645 ZVBFDQIZLKGICA-GOSISDBHSA-N 334.375 2.999 30 40 EFEB CCN(CC)C(=O)c1sc(NC(=O)C(F)(F)F)c(C#N)c1C 2748278 GXFVZFKFPFXDFR-UHFFFAOYSA-N 333.335 2.911 30 40 EFEB CC1=CC(=O)[C@H](C(=O)/C=C/c2cccc(Br)c2)C(=O)O1 23640464 ZOALIJLVCRHSJJ-GJBLVYBDSA-N 335.153 2.677 30 40 EFEB Cc1ccc(C(=O)[C@H](C#N)C(=O)[C@H]2CCCN(C(=O)C3CC3)C2)s1 102763792 FMCXPDLTMCJRJD-UONOGXRCSA-N 344.436 2.597 30 40 EFEB C=CCSc1ccccc1NC(=O)NCCNc1ncccn1 58015704 DXUQQGSNFHYGDO-UHFFFAOYSA-N 329.429 2.988 30 40 EFEB CN(C)C(=O)COc1cccc(C(=O)/C=C/c2cccc(C#N)c2)c1 58174559 VSUWLIJUDWFTDU-MDZDMXLPSA-N 334.375 2.921 30 40 EFEB N#CCCSc1nc(N2CCOCC2)c2c(c1C#N)CCCC2 13116074 YUWFIDIIQWBREK-UHFFFAOYSA-N 328.441 2.674 30 40 EFEB C#Cc1cccc(N(CC(=O)NC)C(=O)c2ccc(N(C)CC)cc2)c1 69924617 NNZRSDJXNSIVFW-UHFFFAOYSA-N 349.434 2.517 30 40 EFEB CCOC(=O)c1cc(C#N)c(SCC(=O)c2ccccc2)nc1N 18227568 VRVYVHYWUPJKDA-UHFFFAOYSA-N 341.392 2.687 30 40 EFEB C[C@@H](Sc1cccc[n+]1[O-])C(=O)Nc1ccc(C#N)c(Cl)c1 15799406 BSGPWMGZLQLUGA-SNVBAGLBSA-N 333.800 2.964 30 40 EFEB COC[C@](C)(C#N)NC(=O)c1c(C)nn(Cc2ccccc2)c1Cl 84014073 AKFLQTMWRYGMAS-KRWDZBQOSA-N 346.818 2.552 30 40 EFEB CNS(=O)(=O)c1cccc(CNc2ccc(C#N)c(Cl)c2)c1 72275494 GZMZWEHCUDRTDL-UHFFFAOYSA-N 335.816 2.732 30 40 EFEB CC(C)N(Cc1ccc(C#N)cc1)C(=O)CN(C)[C@@H]1CCSC1 89937377 DNLOHQOWSIMNNO-QGZVFWFLSA-N 331.485 2.733 30 40 EFEB C=CCOC(=O)c1cc(N(C)C(=O)C(F)(F)F)ccc1N(C)C 226279301 GKJTUFKETATGOQ-UHFFFAOYSA-N 330.306 2.621 30 40 EFEB O=S(=O)(/N=C(\O)CC[C@H]1CCCCO1)c1ccc(F)c(F)c1 95395376 YXDLTMVLLXCBNZ-SNVBAGLBSA-N 333.356 2.959 30 40 EFEB Cc1sc2ncc(C(=O)OCc3ccc(C#N)cc3)c(=O)n2c1C 96493048 DCUYMPFYTAXPDN-UHFFFAOYSA-N 339.376 2.602 30 40 EFEB C=CCNS(=O)(=O)Cc1ccc(NC(=O)/C=C/C(C)(C)C)cc1 96408423 OBZNBHHEZJZOMA-ZHACJKMWSA-N 336.457 2.833 30 40 EFEB O=C(/C=C/c1ccccc1)C(=O)N1CC[C@H]2[C@H](CCCN2C2CC2)C1 1615614685 QQVWVRJPOBMWDF-NZVCTJPZSA-N 338.451 2.744 30 40 EFEB N#Cc1cccc(N[C@@H]2CO[C@@]3(CCN(C(=O)C4(F)CCC4)C3)C2)c1 1565547102 NKLBSXOFKSNJRU-WMZOPIPTSA-N 343.402 2.622 30 40 EFEB C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CN4CCN(CC)CC4)[C@H]3C[C@@H]12 20112147 IRYDAUQTHJLBSW-GQUPQBGVSA-N 346.515 2.938 30 40 EFEB biogenic CCCc1nc(NCCCN2CCOCC2)c(C#N)c2c1CCCC2 20573624 ZCCWMGZBDNUKIM-UHFFFAOYSA-N 342.487 2.919 30 40 EFEB COc1cc(NC(=O)C2(C#N)CCCC2)ccc1N1CCCC1=O 21563295 HEFPKBBQJKNXKI-UHFFFAOYSA-N 327.384 2.844 30 40 EFEB CN(CCCc1ccccc1)Cc1nc2ccccc2c(=O)n1CC#N 52802789 AYRIOKHYXUKNQD-UHFFFAOYSA-N 346.434 2.985 30 40 EFEB N#Cc1cc(NCC(=O)NCC(F)(F)F)ccc1C(F)(F)F 97144671 BBDOGPVHLGTGAY-UHFFFAOYSA-N 325.212 2.667 30 40 EFEB C=CCOc1cccc(NS(=O)(=O)c2cccc(C(=O)OC)c2)c1 57124071 SZXARSZJBAXJEC-UHFFFAOYSA-N 347.392 2.839 30 40 EFEB C[C@H]1CN(CC(=O)/C=C2/N(C)c3ccccc3C2(C)C)[C@@H](C)CO1 27641386 WONFWFCZLMJUER-KVQWEKGRSA-N 328.456 2.976 30 40 EFEB Cc1ccc(NC(=S)N/N=C2/C(=O)N(C)c3ccccc32)c(C)c1 102977762 HJQWIVCWFGFEPM-CAPFRKAQSA-N 338.436 2.971 30 40 EFEB C=CCN(CCc1ccccc1)C(=O)[C@@H]1CCCN(C(=O)CC)C1 58378505 XIOGKHFTRXMZBE-GOSISDBHSA-N 328.456 2.892 30 40 EFEB CS(=O)(=O)Nc1ccc(CNc2c(F)cc(C#N)cc2F)cc1 58324673 FFDLTSRXKQDLJD-UHFFFAOYSA-N 337.351 2.820 30 40 EFEB N#Cc1ccc(Cl)cc1NC(=O)Cn1nnc(-c2ccccc2)n1 3313391 OHHKLOWHCJVUJF-UHFFFAOYSA-N 338.758 2.504 30 40 EFEB Cc1nc(-c2ccccc2)n(CC(=O)NC2(C#N)CCCCCC2)n1 65589245 CDMFWFRUSBEBPU-UHFFFAOYSA-N 337.427 2.986 30 40 EFEB CCCCCCCNC(=O)C(=O)NCCc1c[nH]c2ccccc12 408710079 NWJFYYBAPNRALR-UHFFFAOYSA-N 329.444 2.913 30 40 EFEB Cc1ccc(-c2cc(C)n3nc(N4CCOCC4)c(C#N)c3n2)cc1 6550296 HXLPCZIMUJJALH-UHFFFAOYSA-N 333.395 2.721 30 40 EFEB N#Cc1nccnc1N[C@@H]1CCN(c2ccccc2Br)C1 71894578 ZWDTULRPAROUPO-LLVKDONJSA-N 344.216 2.802 30 40 EFEB N#Cc1ccnc(N2CCN(C(=O)c3sccc3C3CC3)CC2)c1 71835223 GMPWVSKQPOJASU-UHFFFAOYSA-N 338.436 2.855 30 40 EFEB Cc1nc([C@@H]2CN(Cc3ccccc3C(C)(C)C#N)CCO2)no1 95970869 XUGCCDVWJBSFMF-INIZCTEOSA-N 326.400 2.753 30 40 EFEB CO[C@@]1(C(O)=Nc2nc(CN3CCC[C@H](C)C3)cs2)CCOC1 330015771 ONMVHWITQNSJSY-LRDDRELGSA-N 339.461 2.769 30 40 EFEB Cc1occc1/C(O)=N/S(=O)(=O)c1cnn(Cc2ccccc2)c1 96452582 QJDMWZLCXDCFFD-UHFFFAOYSA-N 345.380 2.526 30 40 EFEB N#CCCC[C@@H](NC(=O)N1CC(F)(F)C[C@H]1CO)c1ccccc1 590942170 FKFXRNGYNCXXLC-LSDHHAIUSA-N 337.370 2.833 30 40 EFEB C=CCN1CCN([C@H](CC(C)C)c2nnnn2C2CCCC2)CC1 19446797 BSRWEYGUHUFPCB-QGZVFWFLSA-N 332.496 2.679 30 40 EFEB C[C@H]1CN(CC(=O)Nc2sc3c(c2C#N)CCCCC3)CCO1 29683893 ISBJNEXURVRYBW-LBPRGKRZSA-N 333.457 2.548 30 40 EFEB N#CC1(C(=O)N2CC[C@]3(CC(=O)N(c4ccsc4)C3)C2)CCCC1 1565554985 MVFCCTCSTMENNP-KRWDZBQOSA-N 343.452 2.787 30 40 EFEB Cc1oc(-n2cccc2)c(C#N)c1C(=O)N1CCN(CC(C)C)CC1 40007708 GGKSRYRTHTYXNO-UHFFFAOYSA-N 340.427 2.664 30 40 EFEB O=C1C[C@@H](c2ccc3c(c2)OCO3)C2=C(O1)C(=O)c1ccccc1C2=O 100207509 OTZZEEAWRURWGW-ZDUSSCGKSA-N 348.310 2.779 30 40 EFEB CCOC(=O)/C(=C\NC1CC1)C(=O)c1cc(F)c(F)c(F)c1F 100205528 JMEHSOLNHBTJLF-TWGQIWQCSA-N 331.265 2.625 30 40 EFEB C#CCNC(=O)C[C@H](NC(=O)c1ccccc1Cl)c1ccccc1 40460961 DNTJHKSFHPCRKJ-KRWDZBQOSA-N 340.810 2.951 30 40 EFEB C=CCSc1nc(=O)c2c(n1C)NC(=O)C[C@H]2c1cccc(F)c1 4944602 QNPYGQBBQCTROA-LBPRGKRZSA-N 345.399 2.672 30 40 EFEB COc1ccc([C@H]2CCN(CC(=O)N[C@](C)(C#N)C(C)C)C2)cc1 58392848 SRGIMKGXHXRHKF-QFBILLFUSA-N 329.444 2.539 30 40 EFEB CCS[C@H]1C(C(=O)c2ccc(C)cc2)=C(CC(=O)O)C(=O)N1C 62716266 ACTQXKZPFUEOAE-KRWDZBQOSA-N 333.409 2.500 30 40 EFEB C[C@H](Nc1ccn(CC(F)(F)F)n1)C(=O)Nc1cccc(C#N)c1 96003873 BDGGHDJITHVSOU-JTQLQIEISA-N 337.305 2.756 30 40 EFEB C=CCCO[C@@H](C)C(=O)N[C@H]1CCN(c2ccccc2Cl)C1=O 71894224 VWLVUSZRZFBUFA-JSGCOSHPSA-N 336.819 2.543 30 40 EFEB C#CCOc1ccc(N(C)C(=O)c2ccc(N3CCCC3)nc2)cc1 71888358 TZRYERXVOXJMGB-UHFFFAOYSA-N 335.407 2.970 30 40 EFEB N#Cc1ccc(NC(=O)N2CCCC[C@@H]2CN2CCCC2=O)cc1 71897531 VINQRRRGTZXHQW-MRXNPFEDSA-N 326.400 2.567 30 40 EFEB Cc1ccccc1-n1ncc(C(=O)OCC2(C#N)CCOCC2)c1C 97056673 ZXBGGQIPWXWBOF-UHFFFAOYSA-N 339.395 2.966 30 40 EFEB S=C(N/N=C\c1ccc2c(c1)OCO2)Nc1ccc2cn[nH]c2c1 34889238 VMHALVHMSIOVQP-IDUWFGFVSA-N 339.380 2.612 30 40 EFEB C[C@H]1CCCC[C@@H]1OCCNS(=O)(=O)Cc1cccc(C#N)c1 79269011 RGPIONXSEOUKLR-YOEHRIQHSA-N 336.457 2.573 30 40 EFEB C=CCSc1nnc(NS(=O)(=O)Cc2ccc(F)cc2)s1 225143638 RSXXIFPLRSEUCV-UHFFFAOYSA-N 345.446 2.897 30 40 EFEB C=CCO[C@@H](C)C(=O)Nc1ccc(N2CCC(CN(C)C)CC2)cc1 96413972 BHGORJAIPIHLMX-INIZCTEOSA-N 345.487 2.994 30 40 EFEB C=C(C)CN(CC)C(=O)Nc1cn2cc(Br)ncc2n1 584908687 BWPOAXXWZNBYAP-UHFFFAOYSA-N 338.209 2.922 30 40 EFEB O/N=C1\CCC=CCC[C@@H]1N1CCN(c2ccc3c(c2)OCO3)CC1 18167553 JTABKOZBAZMABZ-PBDWWKMTSA-N 343.427 2.866 30 40 EFEB N#Cc1c(-c2ccc(Br)cc2)nc2n(c1=O)CCS2 216819 FLFYNESIDRWVKW-UHFFFAOYSA-N 334.198 2.650 30 40 EFEB C=CCSc1nnc(NC(=O)COc2ccccc2F)s1 2626927 TUPRSCUTHHLRLY-UHFFFAOYSA-N 325.390 2.973 30 40 EFEB N#Cc1cn(-c2ccc(NC(=O)c3c(F)cccc3F)cc2)nc1N 78808684 BRJOEQZZPXBVTJ-UHFFFAOYSA-N 339.305 2.857 30 40 EFEB COc1ccc(C[C@@H](C)N(C)CC(=O)N[C@](C)(C#N)C(C)C)cc1 106579346 JIXPZCCRSLUOQH-DNVCBOLYSA-N 331.460 2.612 30 40 EFEB CN(C)S(=O)(=O)c1ccc(CNc2cccc(F)c2C#N)cc1 48356541 VOZDHCXTKJQGSS-UHFFFAOYSA-N 333.388 2.560 30 40 EFEB CC(=O)CCc1ccc(OS(=O)(=O)c2cccc(C#N)c2)cc1 6313979 VDWPQBDDPCFFKK-UHFFFAOYSA-N 329.377 2.848 30 40 EFEB C=CCn1c(C)cc(C(=O)CSc2nc3ncccn3n2)c1C 8938624 JHMFKOVGGHRTKX-UHFFFAOYSA-N 327.413 2.704 30 40 EFEB COc1cccc(-c2nsc(NC(=O)c3cc(C#N)cn3C)n2)c1 81153506 RWYVEGBBXSOROD-UHFFFAOYSA-N 339.380 2.676 30 40 EFEB C#Cc1cccc(N(Cc2ccco2)S(=O)(=O)C[C@@H]2CCCO2)c1 71909459 QFGUIBAXXSCCSL-SFHVURJKSA-N 345.420 2.776 30 40 EFEB N#Cc1ccc(NC(=O)NCCCNC(=O)c2cccs2)cc1 72278456 HCDZINSRWWHRHQ-UHFFFAOYSA-N 328.397 2.561 30 40 EFEB C[C@@H](C[C@H](O)c1ccco1)NC(=O)NCc1cc(C#N)ccc1F 95413556 VLVSEIFBYIINOY-NHYWBVRUSA-N 331.347 2.602 30 40 EFEB Cc1ccc(S(=O)(=O)/N=C(O)/C=C/c2cncc(F)c2)s1 95443017 QAOMQPYIUXWXDP-ONEGZZNKSA-N 326.374 2.949 30 40 EFEB CCn1cc(C(=O)NCCNc2cccc(F)c2C#N)c(C(C)C)n1 76959499 RQKTZYPPWBIQMZ-UHFFFAOYSA-N 343.406 2.879 30 40 EFEB CCc1ccc(C(=O)N2CCN(c3ccc(N)cc3C#N)CC2)cc1 70462098 MIVMWOHEOSJQAK-UHFFFAOYSA-N 334.423 2.665 30 40 EFEB CCn1cc(/C(O)=N/S(=O)(=O)c2ccc(F)cc2)c(C(C)C)n1 77940283 DRORTNOEIMKKED-UHFFFAOYSA-N 339.392 2.859 30 40 EFEB N#Cc1ccsc1NC(=O)[C@@H]1CC(=O)N(c2ccc(F)cc2F)C1 32824575 KZLJQWQSHJQFEP-SNVBAGLBSA-N 347.346 2.890 30 40 EFEB C=CCN1CCC[C@]12CCCN(S(=O)(=O)c1ccccc1F)C2 96214816 RTIITZBJLHVBFN-QGZVFWFLSA-N 338.448 2.631 30 40 EFEB C/C(=N\C[C@H](C)N)c1c(O)c2ccccc2n(-c2ccccc2)c1=O 4261430 DFAFWTOHFOKUJH-MDUHSQENSA-N 335.407 2.853 30 40 EFEB CC(C)(C)c1ccc(N2C[C@@H]3CN(c4ccc(C#N)nc4)C[C@@H]3C2)nn1 1888857098 MAFDIRCBNDDBIC-GASCZTMLSA-N 348.454 2.613 30 40 EFEB C[C@H](NC(=O)NCc1ccnc(-n2cccn2)c1)c1ccc(C#N)cc1 31124224 JLKANNBJLJBWEX-AWEZNQCLSA-N 346.394 2.699 30 40 EFEB COC(=O)CSc1nc(N2CCCC2)c2c(c1C#N)CCCC2 20572813 DXUFDVOFOVNXOG-UHFFFAOYSA-N 331.441 2.697 30 40 EFEB COc1cc(/C=N\n2cnnc2)cc(Br)c1OC(C)C 32109221 IFHRCKARRHWMEX-FMQZQXMHSA-N 339.193 2.719 30 40 EFEB CNC(=O)[C@@H](C#N)C(=O)Cn1c(C2CCCCC2)nc2ccccc21 101843650 OCWWUGAVNVJYKE-AWEZNQCLSA-N 338.411 2.539 30 40 EFEB N#Cc1ccccc1N1CCN(C(=O)NCc2cccs2)CC1 69700432 MQFUEFGYAPPFNF-UHFFFAOYSA-N 326.425 2.652 30 40 EFEB N#CCN(C(=O)COC(=O)C[C@H]1C[C@H]2CC[C@H]1C2)c1ccccc1 108858411 MQXIFTFTCLAQHJ-HRCADAONSA-N 326.396 2.913 30 40 EFEB N#Cc1ccccc1/C=C/C(=O)N1CCC[C@@H]1c1nnc2ccccn12 44891979 KAJNPHNMSYTUBF-SXSDINLZSA-N 343.390 2.978 30 40 EFEB C=CCN(C(=O)Cc1cccc2ccccc12)[C@H]1CCS(=O)(=O)C1 58393771 UFJGGAVWNHOYQA-KRWDZBQOSA-N 343.448 2.584 30 40 EFEB CC(=O)N1CCc2cc(NC(=O)[C@@H](C)Oc3ccc(C#N)cc3)ccc21 13000583 SROXNHUWZLTXJB-CYBMUJFWSA-N 349.390 2.873 30 40 EFEB COc1ccccc1/C=N/Nc1ccc2nnc(C(F)(F)F)n2n1 4187895 OMNIBDWFVUEWGF-QGMBQPNBSA-N 336.277 2.598 30 40 EFEB CC/N=C1\S/C(=C\c2ccc(OC)c([N+](=O)[O-])c2)C(=O)N1CC 408842802 BOWJKOPYAXEZDB-JWFVMAOISA-N 335.385 2.916 30 40 EFEB C[C@H]1CCc2sc(C(=O)OCC(=O)N[C@](C)(C#N)C3CC3)cc2C1 5773456 CKLFDWHKARMSLP-BBATYDOGSA-N 346.452 2.838 30 40 EFEB CCN(CC)C(=O)COc1nc(-c2ccco2)c2c(c1C#N)CCC2 32101079 GHLWNAJAJNHMSW-UHFFFAOYSA-N 339.395 2.949 30 40 EFEB N#C[C@H]1CN(C(=O)CCc2ccsc2)CCN1Cc1ccccc1 74673105 CGARDHPOWLURRH-SFHVURJKSA-N 339.464 2.917 30 40 EFEB Cc1ccc(Br)cc1/C(O)=N/S(=O)(=O)CC1CC1 96442112 VZQHWTDXLSSNEO-UHFFFAOYSA-N 332.219 2.802 30 40 EFEB N#Cc1ccc(F)c(CNC(=O)NC[C@H]2COc3ccccc3C2)c1 96439155 ZXUOFYYNJMBYRA-AWEZNQCLSA-N 339.370 2.748 30 40 EFEB CCc1nnc(SCCCNc2ncccn2)c(C#N)c1CC 96466419 DQWXCHCSPNJMJV-UHFFFAOYSA-N 328.445 2.857 30 40 EFEB C=C(Br)CNC(=O)c1cccc(NC(=O)NC(C)C)c1 49280623 COSHXRSMADECNU-UHFFFAOYSA-N 340.221 2.855 30 40 EFEB CCN(CC)CCCN1C(=O)C(O)=C(C(C)=O)[C@@H]1c1ccccc1 22063546 UGGLAEKPPBRULI-KRWDZBQOSA-N 330.428 2.703 30 40 EFEB N#Cc1ccc(CCC(=O)NCc2nccnc2-c2ccoc2)cc1 675008447 ZVENMUBIDAUFCO-UHFFFAOYSA-N 332.363 2.857 30 40 EFEB C=CCn1nnnc1NCc1ccc(-c2ccc(C(=O)OC)cc2)o1 7602263 KPELEJUVLFYWDL-UHFFFAOYSA-N 339.355 2.518 30 40 EFEB O=C1Nc2ccccc2C(=O)/C1=C\NC(=S)NC1CCCCC1 104300999 HSIYRRXTEKQOPO-JLHYYAGUSA-N 329.425 2.502 30 40 EFEB O=[N+]([O-])c1cc2c(cc1/C=N/Nc1nc3ccccc3[nH]1)OCO2 5615217 CKBVNTGNDUIHKW-FRKPEAEDSA-N 325.284 2.646 30 40 EFEB N#Cc1ccccc1N1CCC(NC(=O)COCc2ccccc2)CC1 72293139 JTWLCCAEXSZGTH-UHFFFAOYSA-N 349.434 2.860 30 40 EFEB O=S(=O)(CCc1ccccc1)/N=C(\O)Cn1ncc2ccccc21 95393158 LPSHNVAMDCCEIM-UHFFFAOYSA-N 343.408 2.565 30 40 EFEB Cc1cnn(Cc2cc(C(=O)NC3(c4cccc(C#N)c4)CC3)no2)c1 95440014 NLAKYBCTLCSPBS-UHFFFAOYSA-N 347.378 2.519 30 40 EFEB N#Cc1ccccc1OCC(=O)Nc1nc2c(cc1C#N)CCCC2 95986327 TZEDFQYBFKVXOU-UHFFFAOYSA-N 332.363 2.721 30 40 EFEB COc1ccc(CNS(=O)(=O)Cc2cc(C#N)ccc2F)cc1C 95980795 JUGNMSDPBKSDRL-UHFFFAOYSA-N 348.399 2.634 30 40 EFEB C[C@@H](NC(=O)N1CCc2ccccc2[C@@H]1CO)c1cccc(C#N)c1 89905160 VJURVEYQKNIUKG-KUHUBIRLSA-N 335.407 2.921 30 40 EFEB Cc1ccc(S(=O)(=O)[C@@H]2[C@H](c3ccccc3)[C@@]2(C#N)C(=O)O)cc1 218044462 OOXUYCOASAGSJW-LZLYRXPVSA-N 341.388 2.529 30 40 EFEB CCN(c1ccc(CC#N)cc1)S(=O)(=O)c1ccccc1[N+](=O)[O-] 224751692 PSQWFZHTVVJPNL-UHFFFAOYSA-N 345.380 2.876 30 40 EFEB Cc1nn(CC(C)C)c(C)c1S(=O)(=O)/N=C(\O)C1CC=CC1 96502370 ULYPIVZXSRGBQL-UHFFFAOYSA-N 325.434 2.767 30 40 EFEB C[C@H](CC#N)N(C)S(=O)(=O)c1ccc(F)c(Br)c1 96436430 LIRXVHOEJIXNCV-MRVPVSSYSA-N 335.198 2.511 30 40 EFEB C=C1CC[C@@H]2[C@](C)(CC[C@@H](O)[C@@]2(C)CO)[C@H]1CCC1=CCOC1=O 5664625 GVRNTWSGBWPJGS-PNDFQMOFSA-N 334.456 2.992 30 40 EFEB C[C@@H]1C(=O)N(C[C@@H](C#N)CCC#N)C(=O)N1c1ccc(Cl)cc1 15238704 FTRHHENFUQXUCY-VXGBXAGGSA-N 330.775 2.941 30 40 EFEB CN1C(=S)S[C@@H](/[N+]([O-])=C\c2cccc([N+](=O)[O-])c2)C1(C)C 100695628 XVMNAWISONYYBU-OXFWXOROSA-N 325.415 2.592 30 40 EFEB CC1(C)C[C@H]2C[C@@](C)(CN2c2nc(N)c(C#N)c(CC#N)c2C#N)C1 102236376 PIGKGSIZQWLRPV-HXPMCKFVSA-N 334.427 2.878 30 40 EFEB CS(=O)(=O)Cc1ccc(C(=O)OCc2ccc(C#N)cc2F)cc1 12095926 YQOLZWOFFCBJSF-UHFFFAOYSA-N 347.367 2.599 30 40 EFEB N#Cc1cc(NCCOc2cccnc2)nc2ccc([N+](=O)[O-])cc12 76063114 JYVQRJZCICKYEQ-UHFFFAOYSA-N 335.323 2.901 30 40 EFEB Cc1cc(C)n(/N=C/c2c(F)c(F)c(F)c(F)c2F)c(=O)c1C#N 21920258 PMFCAYQOVOJSBI-RREIPUBJSA-N 341.239 2.915 30 40 EFEB COc1cc(/C=C/C(=O)c2ccc3c(c2)OCO3)cc([N+](=O)[O-])c1O 35609991 OFACBEYZGXBWKW-DUXPYHPUSA-N 343.291 2.934 30 40 EFEB CCN(CC)c1ccc(/C=C/C(=O)[C@@H]2C(=O)C=C(C)OC2=O)cc1 3581854 LZMDCELROPNDKX-VEGGFIAOSA-N 327.380 2.761 30 40 EFEB COc1cc(/C=N/N(C)C)ccc1OC(=O)c1cccc([N+](=O)[O-])c1 4694011 HMBIFDIFJQQDHD-WOJGMQOQSA-N 343.339 2.718 30 40 EFEB COc1ccc(CN2CCN(c3ccccc3C#N)CC2)cc1OC 15584393 IHZJSWRCDZPXGT-UHFFFAOYSA-N 337.423 2.898 30 40 EFEB N#CC1(NC(=O)c2cnc(-c3ccc4c(c3)OCO4)s2)CCC1 69456646 ZMUXPHGOVDZIGG-UHFFFAOYSA-N 327.365 2.715 30 40 EFEB CC(C)c1cnc(CN(C)[C@H]2CCN(C[C@H](C#N)CCC#N)C2)o1 84630712 GEXIIFUSYHBUNN-HOTGVXAUSA-N 329.448 2.748 30 40 EFEB C=C(C)COc1cc(CN[C@H]2CCN(C(C)=O)C[C@@H]2C)ccc1OC 84714819 FSNPAUAPJVYGEU-YJBOKZPZSA-N 346.471 2.997 30 40 EFEB CC(=O)N[C@]1(c2nc(C)cs2)CCN(Cc2ccc(C#N)s2)C1 548346157 HHCDCBFICDSLCM-MRXNPFEDSA-N 346.481 2.622 30 40 EFEB O=S(=O)(/N=C(\O)[C@@H]1C[C@H]1c1cccc(F)c1F)c1cccnc1 76761047 MNSYERLNWIWIBW-NWDGAFQWSA-N 338.335 2.809 30 40 EFEB Cn1cc(CNCc2ccccc2CO)c(-c2ccc(C#N)cc2)n1 195552840 CVSTXKCLBKNHOU-UHFFFAOYSA-N 332.407 2.741 30 40 EFEB C=CCN1CCC(NC2CC3(C2)C[C@H]3NC(=O)OC(C)(C)C)CC1 1616035021 ZFXMRNKEKBLZLG-KOHRHEQBSA-N 335.492 2.672 30 40 EFEB CCOC(=O)C/C(=N\Nc1ccc(Cl)cc1[N+](=O)[O-])OCC 16681941 UGGSKGLXKLVAEP-FOWTUZBSSA-N 329.740 2.963 30 40 EFEB Cc1cc(OC2CCN(C(=O)c3cccc(C#N)c3)CC2)cc(=O)o1 206970175 DXUTVLLRFXIGBB-UHFFFAOYSA-N 338.363 2.504 30 40 EFEB Cc1c([C@@H](C)NC[C@H](O)c2ccncc2)cnn1-c1ccc(C#N)cc1 97233939 LTBONSGFEFCRHK-VLIAUNLRSA-N 347.422 2.832 30 40 EFEB C/N=C1/S/C(=C/C(=O)O)C(=O)N1CCc1c[nH]c2ccc(C)cc12 101379768 WIPKTODWEVDKKH-LEOYLKIESA-N 343.408 2.549 30 40 EFEB C[C@H](C(=O)Nc1ccccc1C#N)N(C)Cc1ccc2c(c1)OCO2 7640893 MURBBQMUGNFDQX-CYBMUJFWSA-N 337.379 2.746 30 40 EFEB C=CCNC(=O)[C@@H](C)OC(=O)c1ccc(OCC(C)C)c(OCC)c1 7833839 XTDARSWGQHZWGP-CQSZACIVSA-N 349.427 2.968 30 40 EFEB C#CCOc1cccc(NC(=O)c2ccc(-c3ccco3)[nH]c2=O)c1 71888134 OOKFXGQDKPZORI-UHFFFAOYSA-N 334.331 2.899 30 40 EFEB C=CCO[C@@H](C)C(=O)NCc1cccc(C(=O)Nc2ccncc2)c1 72285517 VCRHKLSNRRRWKD-AWEZNQCLSA-N 339.395 2.541 30 40 EFEB CCCOc1c(Br)cc(/C=N\n2cnnc2)cc1OC 33445162 AOXYGXBGBNVOFH-IDUWFGFVSA-N 339.193 2.720 30 40 EFEB N#Cc1ccc(N2C[C@]3(CCN(Cc4ccncc4)C3)CC2=O)cc1 96238842 LQDOHPDOPCKZQT-HXUWFJFHSA-N 332.407 2.582 30 40 EFEB CCc1cnc(N2CC[C@]3(CC(=O)N(c4ccc(C#N)cc4)C3)C2)nc1 96238825 NMMZYTFBDNNOCW-FQEVSTJZSA-N 347.422 2.544 30 40 EFEB C#CCN1CCC[C@H]1c1nc(-c2cc(OC)c(OC)c(OC)c2)no1 1616039166 XBQABFQGOORCFK-ZDUSSCGKSA-N 343.383 2.533 30 40 EFEB C[C@@H](OC(=O)c1ccc(C#N)cc1)C(=O)N1CCc2ccccc2C1 5507082 LJKRVPODCVKKRY-CQSZACIVSA-N 334.375 2.688 30 40 EFEB CSc1ncc(C#N)c(N2CCC[C@@H](COc3ccncc3)C2)n1 1889101375 HEHFJZDVIAAKRH-CYBMUJFWSA-N 341.440 2.761 30 40 EFEB C=CCOC[C@@H]1CN(Cc2cccc(OC)c2)Cc2nccn2C1 2055713274 RNCBWBCTAQLVIW-QGZVFWFLSA-N 327.428 2.726 30 40 EFEB NC(=O)[C@H]1CC(=O)N(Cc2ccccc2)/C(=N/c2ccccc2)S1 2728488 BFMCSGDJLHKAHO-MEUCICPISA-N 339.420 2.694 30 40 EFEB N#Cc1cn(CC(=O)N2CCCC2)c2ccc(Br)cc12 555394 RRDRWYJUYODLKC-UHFFFAOYSA-N 332.201 2.898 30 40 EFEB O=S(=O)(CC1CCCC1)/N=C(\O)CN1CCc2sccc2C1 97164163 BAVJMFFHAHALQV-UHFFFAOYSA-N 342.486 2.583 30 40 EFEB COc1ccc([C@@H]2C3=C(CCCC3=O)Nc3[nH]nc(O)c32)c(OC)c1 12347376 AQZLMWUGKJMWOO-CQSZACIVSA-N 341.367 2.697 30 40 EFEB C#CCNC(=O)N[C@H](C)c1ccc(OCc2ccncc2)c(OC)c1 56412814 CCYJWVIFIWRREV-CQSZACIVSA-N 339.395 2.663 30 40 EFEB Cc1nc2n(n1)[C@@H](c1cccc([N+](=O)[O-])c1)C1=C(C[C@@H](C)CC1=O)N2 10339529 PVZXPXHEYYJYOI-ABKXIKBNSA-N 339.355 2.763 30 40 EFEB N#CCC(=O)Nc1ccc(C(=O)OCc2cc(C#N)ccc2F)cc1 11312811 LXIHYEQNNAIRAK-UHFFFAOYSA-N 337.310 2.907 30 40 EFEB C=CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccc(SC)cc1 6050418 WKVOWVSZVJQUJQ-CQSZACIVSA-N 334.466 2.931 30 40 EFEB N#CCN(C(=O)c1cc(-c2ccc(Br)cc2)n[nH]1)C1CC1 67686566 GBCPDMMTCUPBIN-UHFFFAOYSA-N 345.200 2.967 30 40 EFEB CC(C)n1cc(Br)cc1C(=O)NC1(C#N)CCOCC1 80315901 VJIHIPPJUALLPO-UHFFFAOYSA-N 340.221 2.634 30 40 EFEB N#Cc1ccc(C(=O)N2CCc3c(CN4CCCC4)cccc32)nc1 96448335 QFVLQLDHIRUYCF-UHFFFAOYSA-N 332.407 2.752 30 40 EFEB CN(CCC#N)C(=O)CN1CCSC[C@@H]1c1ccc(Cl)cc1 72286553 CZRATYJWHBDKPT-OAHLLOKOSA-N 337.876 2.802 30 40 EFEB Cc1c(Cl)cccc1C(=O)NS(=O)(=O)Cc1cccc(C#N)c1 193826923 TZBBCNFWTDMUTH-UHFFFAOYSA-N 348.811 2.780 30 40 EFEB C[C@H](C1CC1)N(CCC#N)S(=O)(=O)c1ccc(C(F)(F)F)nc1 96501182 TYVQJVCACVZKAY-SNVBAGLBSA-N 347.362 2.803 30 40 EFEB N#Cc1cc(C(F)(F)F)ccc1N1CCC[C@@H]1[C@H]1COCC[C@H]1O 583622901 CVKTUHYCFHTBFK-FVQBIDKESA-N 340.345 2.943 30 40 EFEB C[C@@H](CC#N)N(C)C(=O)Cc1csc(-c2ccc3c(c2)OCO3)n1 78420308 UZOLNZGBUVRSDM-NSHDSACASA-N 343.408 2.842 30 40 EFEB COc1cccc2cc(S(=O)(=O)c3cccc(C#N)c3)c(=O)oc12 15828717 DMPMVGXRLZKRSZ-UHFFFAOYSA-N 341.344 2.506 30 40 EFEB CCC/N=C1/NC(=O)[C@@H](CC(=O)Nc2ccc(F)c(Cl)c2)S1 21133259 YVDUTEYUUXDPBU-LLVKDONJSA-N 343.811 2.805 30 40 EFEB CC(=O)N(C)c1ccc(N/N=C2/C(=O)N(c3ccccc3)N=C2C)cc1 100005673 XEWSVYZZOOLUIC-DYTRJAOYSA-N 349.394 2.860 30 40 EFEB CCOC(=O)Cc1csc(N/N=C/c2cccc([N+](=O)[O-])c2)n1 4924913 ONBXDFRLVYNXBM-OVCLIPMQSA-N 334.357 2.603 30 40 EFEB Cc1cc2nc(Nc3nc(C)c(CC#N)c(=O)[nH]3)nc(C)c2cc1C 20673260 HILBRSHVFJPBGK-UHFFFAOYSA-N 334.383 2.756 30 40 EFEB C[C@@](C#N)(NC(=O)CN1CCCc2cccc(OC(F)F)c21)C1CC1 58134767 UQAOZXARTOQPQR-SFHVURJKSA-N 349.381 2.849 30 40 EFEB C=CCN1C(=O)/C(=C/c2cccc(OCC(=O)O)c2)SC1=S 2121681 HBEQAAFPIZBXET-WQLSENKSSA-N 335.406 2.537 30 40 EFEB C[S@@](=O)Cc1cccc(C(=O)OCCOc2ccc(C#N)cc2)c1 10779967 FKKNMMDYFBECQO-DEOSSOPVSA-N 343.404 2.673 30 40 EFEB N#CC1(NC(=O)CN2CCC(Cc3ccccc3)CC2)CCCC1 7788100 PNLDKCUTBGMXKB-UHFFFAOYSA-N 325.456 2.894 30 40 EFEB Cc1nn([C@H]2CCS(=O)(=O)C2)c(C)c1/C=C/C(=O)c1ccccc1 8053642 CZJWTWQRDKGSAD-FDMDGMSGSA-N 344.436 2.756 30 40 EFEB N#Cc1nc(-c2ccc([N+](=O)[O-])cc2)oc1NCCCn1ccnc1 16741851 HPEGCACQBGVQQR-UHFFFAOYSA-N 338.327 2.820 30 40 EFEB CCNC(=O)C1(NC(=O)CSc2ccc(C#N)cc2)CCCCC1 69351590 ZLVSQHAZVLCNTL-UHFFFAOYSA-N 345.468 2.606 30 40 EFEB N#Cc1c[nH]c(C(=O)N[C@H]2c3ccccc3CC[C@H]2n2ccnc2)c1 87257817 AREJTGCHQPBJON-MSOLQXFVSA-N 331.379 2.741 30 40 EFEB C=C[C@H](CC(=O)N[C@@H]1CCCN(c2cnn(C)c2)C1)c1ccccc1 97230038 CDJPKISRSFLQSZ-SJLPKXTDSA-N 338.455 2.865 30 40 EFEB Cc1ccc(NC(=O)CO/N=C(\N)COc2ccccc2)cc1C 39992633 XBLLLZZKHLQVHZ-UHFFFAOYSA-N 327.384 2.610 30 40 EFEB CC(=O)N[C@]1(c2nc(C)cs2)CCN(Cc2cc(C#N)cs2)C1 548345947 ZUNGDMNRFGIWBL-MRXNPFEDSA-N 346.481 2.622 30 40 EFEB CCn1cc([C@H]2CN(C(=O)Nc3cccc(C#N)c3C)CCO2)cn1 192343518 ZZKGDQHKYFERIH-QGZVFWFLSA-N 339.399 2.689 30 40 EFEB C=CCOCc1nn(CC2CC2)c2c1CN(C(=O)c1ccc[nH]1)CC2 96084931 FFEMLCNZYLKMLB-UHFFFAOYSA-N 340.427 2.522 30 40 EFEB C=CCN1C(=O)COC2(CCN(Cc3ccc(C)s3)CC2)[C@@H]1C 96201540 FTZIHNOOYPTRST-HNNXBMFYSA-N 334.485 2.824 30 40 EFEB N#Cc1cccc(/C=C/C(=O)N2CCN(Cc3cccc(O)c3)CC2)c1 96454904 MYGKYWMXRMAJDB-BQYQJAHWSA-N 347.418 2.621 30 40 EFEB C#CCN1C(=O)[C@](O)(CC(=O)/C=C/c2ccccc2)c2ccccc21 302030 NPVXMVYAWQSEKD-IWGBCORSSA-N 331.371 2.527 30 40 EFEB Cc1cc(C)c(C#N)c(N2CCC(Oc3ccn4nccc4n3)CC2)n1 2298214467 AYWSJWAXKORILX-UHFFFAOYSA-N 348.410 2.661 30 40 EFEB O/N=C/c1cn(C[C@@H](O)Cn2cnc3ccccc32)c2ccccc12 101147648 NCEVNFKMHBPAAS-MNPVBQOISA-N 334.379 2.860 30 40 EFEB O=C1/C(=N\Nc2ccncc2)C(C(F)(F)F)=NN1c1ccccc1 4706615 FFUMKNMBMOBSBD-MTJSOVHGSA-N 333.273 2.815 30 40 EFEB Cc1ccccc1/C=C1\Oc2cc(OS(C)(=O)=O)ccc2C1=O 6925033 SDTNKQDYJBJLDQ-SXGWCWSVSA-N 330.361 2.950 30 40 EFEB CCOc1ccc(C#N)cc1NC(=O)NCc1ccc(O)c(OC)c1 56607745 CUKACNHITASAND-UHFFFAOYSA-N 341.367 2.993 30 40 EFEB Cc1oc(-n2cccc2)c(C#N)c1C(=O)NC1CCN(C2CC2)CC1 48237448 QVDWFJPBANHBBW-UHFFFAOYSA-N 338.411 2.607 30 40 EFEB CCc1nc(CN2CCN(c3oc(C4CC4)nc3C#N)CC2)cs1 29228919 PKMHJFLIYXYDLQ-UHFFFAOYSA-N 343.456 2.765 30 40 EFEB C=CCc1cc(C=C(C(=O)OC)C(=O)OC)cc(OCC)c1OCC 409065119 HNCQOBJSFBTDNO-UHFFFAOYSA-N 348.395 2.942 30 40 EFEB COc1cc(C(C)=O)ccc1OCC(=O)OCc1cccc(C#N)c1 6163052 NKHIFOZKIPVGCI-UHFFFAOYSA-N 339.347 2.892 30 40 EFEB C=CCn1c(=O)c(C(=O)Nc2ccc(N)cc2)c(O)c2ccccc21 6492936 HSGLZPITOBQAPL-UHFFFAOYSA-N 335.363 2.728 30 40 EFEB COC(=O)c1cc(C(=O)Nc2cccc(C#N)c2)n(-c2ccccc2)n1 65621759 CNDWTWFWPUBCCB-UHFFFAOYSA-N 346.346 2.783 30 40 EFEB N/C(Cc1ccc([N+](=O)[O-])cc1)=N\OC(=O)c1ccc(Cl)cc1 4682050 IIYQEYMGBMMLJS-UHFFFAOYSA-N 333.731 2.920 30 40 EFEB N#Cc1ccccc1CN1CCC(OC(=O)C2=COCCC2)CC1 95404952 XMFIDIFOLCTHOY-UHFFFAOYSA-N 326.396 2.760 30 40 EFEB C[C@@H](CSc1ccc(F)cc1)C(=O)Nc1nc(C#N)c(C#N)[nH]1 89904126 XYWLQBGNYGVIPL-VIFPVBQESA-N 329.360 2.659 30 40 EFEB C=CCNC(=O)c1ccccc1NC(=O)c1ccc2c(c1)OCCO2 68742903 XKLOTFVLRMNRSR-UHFFFAOYSA-N 338.363 2.626 30 40 EFEB C[C@H](Cc1cccs1)NC(=O)C(=O)Nc1cc(Cl)ccc1C#N 38566312 ZJKPHUWUVSUEOT-SNVBAGLBSA-N 347.827 2.959 30 40 EFEB Cc1occc1C(=O)N1CC[C@@]2(CC(=O)N(c3ccc(C#N)cc3)C2)C1 96238858 ZUZDKAZBCWDOPM-HXUWFJFHSA-N 349.390 2.729 30 40 EFEB Cc1ccc2nc([C@@H]3CCCN(S(=O)(=O)CCCC#N)C3)[nH]c2c1 96492644 GPRDSJSCYVMADD-CQSZACIVSA-N 346.456 2.684 30 40 EFEB C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N1CCO[C@H](Cc2ccccc2)C1 280609840 AEBBKTCEMQIFLK-OTWHNJEPSA-N 344.455 2.621 30 40 EFEB N#Cc1ccc(C(F)(F)F)c(NCC2CCN(CCO)CC2)c1 97096870 JDCXSBAYKCGIQP-UHFFFAOYSA-N 327.350 2.693 30 40 EFEB N#Cc1ccnc(OCC2CCN(c3cc(C4CC4)ncn3)CC2)c1 1888844588 LQIBHNQCULJJLC-UHFFFAOYSA-N 335.411 2.916 30 40 EFEB N#Cc1ccc(C(=O)NCCCN2CCO[C@H](c3ccccc3)C2)cc1 17178569 REPWBXIWDPYBDK-FQEVSTJZSA-N 349.434 2.752 30 40 EFEB N#Cc1ccc(CN2CCCN(C(=O)c3cc(Cl)c[nH]3)CC2)cc1 29985376 LMPXGFBNFVXOKF-UHFFFAOYSA-N 342.830 2.888 30 40 EFEB C#CCSCCNC(=O)c1cn(CC)c2ccc(Cl)cc2c1=O 97114097 NLWGJOXECWDCQO-UHFFFAOYSA-N 348.855 2.771 30 40 EFEB CC(C)OC(=O)CC(=O)CSc1nc2c(cc1C#N)CCCC2 4450322 ICEFPOBRJPBXFL-UHFFFAOYSA-N 332.425 2.835 30 40 EFEB CN(C)C(=O)[C@@H]1CN(Cc2ccc(C#N)cc2F)c2ccccc2O1 53897088 IGTLIHGLTDLJKC-SFHVURJKSA-N 339.370 2.553 30 40 EFEB C[C@@H](Oc1ccc(/C=N/Cc2ccc(C(=O)O)cc2)cc1)C(=O)O 59302807 DROGCGHPBRIBQC-ZGXHQARYSA-N 327.336 2.856 30 40 EFEB C=C(Br)CNC(=O)c1cc(-c2ccccc2OC)on1 49280876 HUSRLHKFGWRJLT-UHFFFAOYSA-N 337.173 2.989 30 40 EFEB COc1ccc(/C=C2\C(=O)c3ccccc3S(=O)(=O)N2C)cc1 5274939 YIPHMAXESOKCDU-RVDMUPIBSA-N 329.377 2.553 30 40 EFEB CC(C)Oc1ccc(C#N)cc1NC(=O)N[C@H](C)C(=O)NC(C)(C)C 70039519 BZBQKCPFEYSZIO-GFCCVEGCSA-N 346.431 2.770 30 40 EFEB Cc1occc1C(=O)N1CSC[C@@H]1C(=O)Nc1ccc(C#N)cc1 69350654 NUTSGDPMMLPNOU-OAHLLOKOSA-N 341.392 2.614 30 40 EFEB N#Cc1ccc([C@H]2[C@H](C(=O)O)CC(=O)N2CCc2ccccc2)cc1 69493753 MHRAEHAOQNBWQS-MJGOQNOKSA-N 334.375 2.775 30 40 EFEB C#Cc1cccc(NC(=O)CNC(=O)c2cccc(NC(C)C)c2)c1 71893289 SHNBXKGSWAGTAH-UHFFFAOYSA-N 335.407 2.857 30 40 EFEB N#Cc1nc(N2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)ccc1Cl 95433692 UPSMTJPCXRNFQH-JTQLQIEISA-N 344.762 2.601 30 40 EFEB Cc1nc(C(=O)NCc2nc(-c3ccncc3)cs2)ccc1C#N 75134679 KBTAZVRLRLJTOS-UHFFFAOYSA-N 335.392 2.710 30 40 EFEB CC(=O)N1CCC(=NOC(=O)c2cccc(Br)c2)CC1 408612317 VKNPQZZASRQWGW-UHFFFAOYSA-N 339.189 2.604 30 40 EFEB C=C(Cl)C[S@](=O)Cc1ccc(S(=O)(=O)C(F)F)cc1 96448151 YHJFERIDTPGDKV-GOSISDBHSA-N 328.789 2.684 30 40 EFEB ON=Cc1cc(Br)cc(I)c1O 254851751 QRCWMEMNMWXAIC-UHFFFAOYSA-N 341.930 2.567 30 40 EFEB CC1(C)CC(=O)C2=C(C1)N(Cc1ccco1)C(=O)[C@]2(O)C(F)(F)F 2195224 VIZSXAXOCRYPLJ-HNNXBMFYSA-N 343.301 2.558 30 40 EFEB CCOc1cc(C#N)ccc1OCC(=O)N1CCO[C@H]2CCCC[C@H]21 46494668 JNSDCFOOAMODET-CVEARBPZSA-N 344.411 2.506 30 40 EFEB COc1cc(C#N)ccc1OCc1cc(=O)n2c(C)csc2n1 18260222 DEHDFOJXUFLZQP-UHFFFAOYSA-N 327.365 2.524 30 40 EFEB CCN(CC(=O)Nc1c(F)cccc1F)C(=O)c1ccc(C#N)cc1 2624928 NUHIMFADGMNHSV-UHFFFAOYSA-N 343.333 2.937 30 40 EFEB N#Cc1ccc(NC(=O)COC(=O)c2ccc(Br)o2)cc1 3262221 MYDCSCVDWPFUSC-UHFFFAOYSA-N 349.140 2.709 30 40 EFEB CC(=O)Nc1cccc(C(=O)[C@H](C#N)C(=O)Nc2ccc(F)cc2)c1 103501879 AWOFIYQLVRHPKQ-INIZCTEOSA-N 339.326 2.745 30 40 EFEB Cc1nc(SCC(=O)O)c(C#N)cc1C(=O)Nc1ccccc1 3399193 FSGXWUDDLVISMV-UHFFFAOYSA-N 327.365 2.691 30 40 EFEB CC(C)N1C(=O)[C@@](O)(CC(=O)/C=C/c2ccco2)c2ccccc21 4553729 BPALLYQZOWYQGD-JBVUFVISSA-N 325.364 2.895 30 40 EFEB COC(=O)c1ccc(OCC(=O)N(C)C2(C#N)CCCCC2)cc1 7091208 UCEYIIYGKCRLGL-UHFFFAOYSA-N 330.384 2.537 30 40 EFEB N#C[C@@H](NC(=O)c1ccnc(Cl)c1)c1cnn(-c2ccccc2)c1 68399061 NDQXLHZFEMOUPU-OAHLLOKOSA-N 337.770 2.915 30 40 EFEB Cc1nn(C)c(C)c1[C@H]1CCCN1CC(=O)Nc1sccc1C#N 71876648 OJTFTRLLRVHRRE-CQSZACIVSA-N 343.456 2.746 30 40 EFEB N#CC1(NC(=O)CSc2nc(N)c3ccsc3n2)CCCCC1 9836135 ISXGNZULEIGCDI-UHFFFAOYSA-N 347.469 2.708 30 40 EFEB Cc1cccc(N2C(=O)NC(=O)[C@@H](C=Nc3ccc(F)cc3)C2=O)c1 408527382 NMDKGEPQWXIEPL-OAHLLOKOSA-N 339.326 2.736 30 40 EFEB Cc1cc(C#N)ccc1C(=O)N(CCN(C)C)Cc1cccc(O)c1 95445885 QIBIRCIELWTVBH-UHFFFAOYSA-N 337.423 2.776 30 40 EFEB O=C1[C@@H]2[C@@H](C(=O)N1/N=C/c1cccc(Br)c1)[C@H]1C=C[C@H]2C1 408719460 MONAZXAXVJJJPC-OEOOBRRCSA-N 345.196 2.590 30 40 EFEB Cc1cc(Br)ccc1CC(=O)N[C@]1(C#N)CCSC1 95995060 RPYCCUCXFPEJEV-AWEZNQCLSA-N 339.258 2.816 30 40 EFEB Cc1cccc(N=C[C@@H]2C(=O)NC(=O)N(c3cccc(C)c3)C2=O)c1 408528799 WMYFEHSPXKLPEU-MRXNPFEDSA-N 335.363 2.905 30 40 EFEB C#CCOc1ccc(NC(=O)N[C@H]2CCC[C@@H]([S@@](=O)CC)C2)cc1 78577749 FHNJETLKEHLXLI-KPNPRUKOSA-N 348.468 2.900 30 40 EFEB N#C[C@@]1(C=O)[C@@H](S(=O)(=O)c2ccccc2)[C@@H]1c1ccc(Cl)cc1 225659578 OKCXJLPUBDQSNT-ULQDDVLXSA-N 345.807 2.989 30 40 EFEB Cc1nn(-c2ccccc2)cc1NC(=O)Nc1ccn(CCC#N)n1 191623650 FLTJJTRXMHFDJX-UHFFFAOYSA-N 335.371 2.935 30 40 EFEB COc1cccc(F)c1[C@H](C)NS(=O)(=O)Cc1cccc(C#N)c1 96428540 XMUZMFAYSDNLMT-LBPRGKRZSA-N 348.399 2.887 30 40 EFEB CN(C)c1ccc([C@H]2CCCN2Cc2cccc(C#N)c2F)nn1 591625583 TWUOEVMLWMOLQS-MRXNPFEDSA-N 325.391 2.890 30 40 EFEB CN1CCN(c2nc3ncccc3cc2C#N)C[C@H]1Cc1ccccc1 596226861 SVBJWBJHNQPVLC-LJQANCHMSA-N 343.434 2.865 30 40 EFEB Cn1c(-c2ccccc2Cl)nnc1S(=O)(=O)CCCCC#N 97035088 LRFIWDUQTDWVKN-UHFFFAOYSA-N 338.820 2.603 30 40 EFEB CCCCCCC[C@@]1(C)NC(=O)N(CC(=O)N[C@H](C)C(C)C)C1=O 101661687 SCALZLQFNCALTE-RDTXWAMCSA-N 339.480 2.818 30 40 EFEB N#CC1(C#N)[C@H](C(=O)c2ccc(Cl)cc2)[C@@]12CC[C@H]1CO[C@@H]2O1 12429056 YBGTXIWVFNFQLD-MKVSYHDVSA-N 328.755 2.708 30 40 EFEB Cn1/c(=N/N=C/c2ccccc2OCCO)sc2ccccc21 16923487 UMKWHIVJKJRBCH-LFQOXGNUSA-N 327.409 2.546 30 40 EFEB C=CCOc1ccccc1C(=O)NCc1cccnc1-n1cccn1 31227048 SJVIZNHYAFSAFD-UHFFFAOYSA-N 334.379 2.762 30 40 EFEB Cc1cc([C@H]2CCCN(C(=O)[C@H](C)Oc3cccc(C#N)c3)C2)n[nH]1 78902363 KEHRWTZFKYDCJH-HOCLYGCPSA-N 338.411 2.763 30 40 EFEB C=CCOc1ccc(C(=O)Nc2ccc(N(C)C)nc2)cc1OC 22420569 LVVHDMSSMDUCBJ-UHFFFAOYSA-N 327.384 2.973 30 40 EFEB N#C[C@H](C(=O)CCn1ccc2ccccc21)C(=O)Nc1ccccn1 103717567 XAXCPBYBMKVUOD-OAHLLOKOSA-N 332.363 2.774 30 40 EFEB CC1(C)Cc2c(C#N)c(OCC(=O)O)nc(-c3ccco3)c2CO1 12324597 JBZMADDUPBFCFE-UHFFFAOYSA-N 328.324 2.528 30 40 EFEB CCCNC(=O)[C@H](C#N)C(=O)c1cccc(-c2csc(C)n2)c1 102708163 OYLOPSTXDJOPJP-CQSZACIVSA-N 327.409 2.967 30 40 EFEB Cc1ccc(C(=O)Nc2cccc(/C=N/N3CCN(C)CC3)c2)cc1 24035254 JUVILEIUBZFFHD-RCCKNPSSSA-N 336.439 2.829 30 40 EFEB CNc1snc(C)c1C(=O)OCc1cn2ccccc2c1C#N 58135107 SILORQGZGDVEQF-UHFFFAOYSA-N 326.381 2.975 30 40 EFEB C=CCc1cc(CO)cc(OC)c1OS(=O)(=O)c1ccc(C)cc1 409122408 YDAWWLWZMFFGTO-UHFFFAOYSA-N 348.420 2.992 30 40 EFEB CCN(C[C@@H](C)C#N)C(=O)[C@H](c1ccccc1)N1CCCCC1=O 69369712 GLJCQROUXSDTRS-YJBOKZPZSA-N 327.428 2.748 30 40 EFEB CC(=O)Nc1cc(F)c(S(=O)(=O)OCC(F)(F)F)cc1Cl 69456220 WTGDOFKKEPVDKG-UHFFFAOYSA-N 349.689 2.705 30 40 EFEB C[C@@H](CC#N)N(C)C(=O)Nc1cccc(Cl)c1N1CCOCC1 72314427 IDBFVEQRNQFRTF-LBPRGKRZSA-N 336.823 2.942 30 40 EFEB CS[C@@H]1CN(CCCOc2ccc(C#N)cc2)C[C@@H]1N1CCCC1 95941523 IXWCRHGWJUAEIF-RBUKOAKNSA-N 345.512 2.839 30 40 EFEB CCOC(=O)CN(CC#N)[C@@H](C)c1cccc(Br)c1 89983718 TVMKIAAPQWLHHP-NSHDSACASA-N 325.206 2.899 30 40 EFEB C#CCOc1ccc(CN2C[C@H]3CCCN3C[C@H]2C)cc1OCC 72324758 WJPAOBOBAWJFKI-SJLPKXTDSA-N 328.456 2.766 30 40 EFEB C[C@@H](c1cccnc1)N1CCN(C(=O)C2(C#N)CCCCC2)CC1 79353249 HJRLPAAKOVTEOE-INIZCTEOSA-N 326.444 2.761 30 40 EFEB Cc1nc(NC(=O)c2ccn(-c3cccc(C#N)c3)n2)cc(C2CC2)n1 225587245 HIOYHGKXDPEDLX-UHFFFAOYSA-N 344.378 2.972 30 40 EFEB Cc1ccc(NC(=O)c2nnc(CN3CCC(C#N)CC3)s2)cc1 96500202 AMUCSDIBYDHRGR-UHFFFAOYSA-N 341.440 2.834 30 40 EFEB CN(/C(N)=N/C[C@H]1CCN(C)[C@H]1c1ccc(Cl)c(F)c1)C1CC1 252478967 AYDOUNSSBPBCRP-WBMJQRKESA-N 338.858 2.881 30 40 EFEB CN(Cc1nnc2n1CCC[C@H]2C(F)(F)F)c1ccc(C#N)cn1 1615003635 ZQBUEPFFEPMDMS-LLVKDONJSA-N 336.321 2.621 30 40 EFEB CC(C)NS(=O)(=O)c1cccc(CNCc2cccc(C#N)c2)c1 67216797 OBTUDVKKYDAGCC-UHFFFAOYSA-N 343.452 2.535 30 40 EFEB O=C1[C@@H]2[C@@H](C(=O)N1/N=C/c1cccc(Cl)c1)[C@H]1C=C[C@@H]2C12CC2 4474993 GEPKDOJMRDNGAR-BHPARCMQSA-N 326.783 2.871 30 40 EFEB C=CCN1CCCC12CCN(C(=O)c1ccc(OC)cc1OC)CC2 2055824392 MBEFHTLZDREMEF-UHFFFAOYSA-N 344.455 2.960 30 40 EFEB Cc1nn(-c2ccccc2)c(CN2C(=O)c3ccccc3C2=O)c1C#N 18189954 MGPQXFBWZZRTQR-UHFFFAOYSA-N 342.358 2.849 30 40 EFEB C=CCSc1nc2c(c(=O)[nH]1)[C@@H](c1ccccc1F)CC(=O)N2 4944210 XNGQLNOARMJGTM-SNVBAGLBSA-N 331.372 2.661 30 40 EFEB N#Cc1cc(NC[C@H](O)Cc2ccc(F)cc2F)ccc1[N+](=O)[O-] 97145509 IQDKBDGZNOKLBG-CQSZACIVSA-N 333.294 2.760 30 40 EFEB C[C@@]1(C(=O)NC(=S)Nc2ccccc2C#N)CC1(Cl)Cl 3258899 RZXIPUDWKDPPBQ-LBPRGKRZSA-N 328.224 2.955 30 40 EFEB C=CCn1c(C)nnc1S[C@H](C)C(=O)NCCc1ccc(F)cc1 58282217 BTZGKBRNCUKSAZ-GFCCVEGCSA-N 348.447 2.751 30 40 EFEB Cc1nn(-c2ccccc2)c(COc2ccc(C(N)=O)cc2)c1C#N 27738841 JFLBJGBPLNIPNW-UHFFFAOYSA-N 332.363 2.730 30 40 EFEB CC/C(Nc1ccc(N)cc1)=C1\C(=O)CC(C)(C)[C@H](C(=O)OC)C1=O 100157923 SIYJZWRSNPISCE-KGAUPUERSA-N 344.411 2.702 30 40 EFEB Cc1ccc(/C=C/C(=O)OCc2nc3ccccc3c(=O)n2CC#N)o1 6560183 LGTNHSJQOUUEIY-CMDGGOBGSA-N 349.346 2.578 30 40 EFEB N#CCCCSc1nnc(N2CCCCC2)n1C[C@H]1CCCO1 69455835 SSQSGAAPYMQVHM-CQSZACIVSA-N 335.477 2.843 30 40 EFEB C#CCOc1ccc(Cl)cc1/C=C1\NC(=S)N(CCC)C1=O 409088792 HAIUEKUNZZNYMK-RAXLEYEMSA-N 334.828 2.820 30 40 EFEB C[C@H]1CCCC[C@H]1OCCNS(=O)(=O)Cc1cccc(C#N)c1 79269014 RGPIONXSEOUKLR-WMLDXEAASA-N 336.457 2.573 30 40 EFEB Cc1nn(C)cc1/C(O)=N/S(=O)(=O)c1c(Cl)cccc1Cl 73087404 APCVHORGLQHMGL-UHFFFAOYSA-N 348.211 2.729 30 40 EFEB N#CC1(NC(=O)CSc2nnc3n2CCCCC3)CCCCCC1 42688645 HIRYNFFOSIMTPM-UHFFFAOYSA-N 347.488 2.829 30 40 EFEB C=C[C@H](CC(=O)N[C@H]1CCCN(c2cnn(C)c2)C1)c1ccccc1 97230036 CDJPKISRSFLQSZ-AEFFLSMTSA-N 338.455 2.865 30 40 EFEB CC(C)(COCc1ccccc1)NC(=O)Nc1ccn(CCC#N)n1 281235484 CMGYZJMZFUHGOI-UHFFFAOYSA-N 341.415 2.914 30 40 EFEB Nc1nc2c(c(=O)[nH]1)[C@@H](c1ccccc1Cl)C1=C(CCCC1=O)N2 17071621 DQXUQBMZBCBYRP-LBPRGKRZSA-N 342.786 2.570 30 40 EFEB Cc1sc(NC(=O)Cc2ccc(S(C)(=O)=O)cc2)c(C#N)c1C 10252846 HPBVHHHVRRLUAO-UHFFFAOYSA-N 348.449 2.821 30 40 EFEB CC(=O)NC(=O)c1cc2ccccc2o/c1=N\c1cccc(C#N)c1 16890409 SOKYWXDJLBECBF-QOCHGBHMSA-N 331.331 2.813 30 40 EFEB COc1ccc(/C=N/n2cnc3c([nH]c4ccccc43)c2=O)cc1OC 499526 PJPPZTNYJILFAK-UFFVCSGVSA-N 348.362 2.777 30 40 EFEB CCOc1ccc([C@@H]2C3=C(CCCC3=O)Nc3ncnn32)cc1OC 132132 DYKPWVOISBATBO-QGZVFWFLSA-N 340.383 2.707 30 40 EFEB N#Cc1cc(F)c(NC[C@H](O)COc2ccc(F)c(F)c2)c(F)c1 78512349 NZQAGARKWYBPBF-JTQLQIEISA-N 340.276 2.966 30 40 EFEB C=CCN1C(=O)[C@@](O)([C@@H]2CCc3ccccc3C2=O)c2ccccc21 1320432 UROHUNKSUJESGO-UTKZUKDTSA-N 333.387 2.852 30 40 EFEB Cc1cccc(N2CC[C@@]3(C[C@@H](Nc4cccc(C#N)n4)CO3)C2)n1 107785923 JOTUSTRPUHYGJF-VQIMIIECSA-N 335.411 2.507 30 40 EFEB C[C@H](CCc1ccccc1)NC(=O)COC(=O)c1ccc(C#N)cc1 3216288 HRKUKOLERNCQFI-OAHLLOKOSA-N 336.391 2.853 30 40 EFEB CN(C)C(=O)C[C@@H](NC(=O)Nc1ccc(C#N)cc1)c1ccccc1 58017020 QXTNPZPRLDVJGS-QGZVFWFLSA-N 336.395 2.899 30 40 EFEB COC[C@@H](C)n1c(COc2ccccc2F)nnc1SCC#N 3346740 UNCJRHWSSPSYSD-LLVKDONJSA-N 336.392 2.819 30 40 EFEB Cc1sc(NC(=O)Cn2c(=O)cnc3ccccc32)c(C#N)c1C 3373775 DNRGIXQTQSVZSV-UHFFFAOYSA-N 338.392 2.585 30 40 EFEB CCOc1ccc(N2CC(=O)C(c3nc4ccccc4n3C)=C2N)cc1 5012134 LYTKVMXJVMTGTN-UHFFFAOYSA-N 348.406 2.689 30 40 EFEB COc1ccc(NC(=O)CN(C)c2ccc(C#N)cc2[N+](=O)[O-])cc1 8777275 OIDUVPITGBKLJK-UHFFFAOYSA-N 340.339 2.550 30 40 EFEB C[C@@H](NC(=O)C(=O)Nc1ccc(F)c(C#N)c1)c1ccc(F)cc1F 69352097 UPURMMYKTJQUEL-SECBINFHSA-N 347.296 2.791 30 40 EFEB C=CCn1c(CC)nnc1SCC(=O)Nc1ccc([N+](=O)[O-])cc1 9328421 DBIRSZADOFTGGX-UHFFFAOYSA-N 347.400 2.666 30 40 EFEB CC(=O)NC(NCc1ccc(F)cc1)(C(F)(F)F)C(F)(F)F 19944622 DERIXRBYVODQCL-UHFFFAOYSA-N 332.219 2.872 30 40 EFEB COC(=O)[C@@H](NC(=O)c1c[nH]c(C#N)c1)c1ccc2ccccc2c1 97085017 GWUIEEOFUQHKKS-KRWDZBQOSA-N 333.347 2.684 30 40 EFEB C[C@@H](CNC(=O)C(=O)Nc1ccc(F)c(C#N)c1)c1cccs1 72292099 ZQOCKFZHXDWHTH-JTQLQIEISA-N 331.372 2.617 30 40 EFEB C[C@@H](c1ccc(-n2cnc3ccccc32)cc1)N(C)CC(=O)NCC#N 95984142 FSTXDKMPSLVLAS-HNNXBMFYSA-N 347.422 2.658 30 40 EFEB CN(CC(=O)Nc1ccc(Cl)c(Cl)c1)c1nccnc1C#N 69441315 WPCROVYZDFVUMK-UHFFFAOYSA-N 336.182 2.730 30 40 EFEB Cc1ccc(C#N)c(N2CCN(C(=O)CCC3CCCC3)CC2)n1 127697155 MNDJPHDGPOQVLG-UHFFFAOYSA-N 326.444 2.881 30 40 EFEB CCO[C@@H]1C[C@H](/N=C(/O)N2CCCC[C@@H]2c2cn[nH]c2)[C@@]12CCCO2 329441455 AMDJARHWSHQQHB-HPFXQQBRSA-N 348.447 2.577 30 40 EFEB Cc1cccc([C@@H](C)CNC(=O)C(=O)Nc2ccc(F)c(C#N)c2)c1 96422106 BGDFFHGTVIZRKV-ZDUSSCGKSA-N 339.370 2.864 30 40 EFEB CC(C)n1cc([C@@]2(O)CCCN(c3c(Cl)cccc3C#N)C2)nn1 583616733 KEYSOEXXZXVTLO-QGZVFWFLSA-N 345.834 2.872 30 40 EFEB N#C[C@H](C(=O)C[C@@]12CCCC[C@@H]1C2(F)F)C(=O)Nc1ccccn1 585094021 LZXRDVHNFAVUGI-FFSVYQOJSA-N 333.338 2.945 30 40 EFEB N#Cc1ccccc1NC1CCN(c2ccc3nccnc3n2)CC1 585140978 NBBYYKVOEMVTBN-UHFFFAOYSA-N 330.395 2.977 30 40 EFEB Cc1nc(I)c(C#N)c(C)c1Br 1537958149 ZDFVDBPIZLHQIP-UHFFFAOYSA-N 336.958 2.937 30 40 EFEB CC/N=C1/S[C@H](CC(=O)N[C@@H](C)c2ccccc2)C(=O)N1CC 13151276 AMSMDYHRNCZFJL-KMAXZNGKSA-N 333.457 2.594 30 40 EFEB COc1cc([N+](=O)[O-])cc(/C=N/c2ccc(NC(N)=S)cc2)c1O 6274852 OHLRSBGBLTWBEX-CAOOACKPSA-N 346.368 2.715 30 40 EFEB CCN1CCN(c2oc(COc3ccccc3Cl)nc2C#N)CC1 108370 NZXDPWUAXHNJTJ-UHFFFAOYSA-N 346.818 2.921 30 40 EFEB N#C[C@@H](NC(=O)/C=C/c1ccc(C(N)=O)cc1)c1ccc(Cl)cc1 78986350 IQLOAZLCVNWUCG-ZAFLOJKISA-N 339.782 2.833 30 40 EFEB COC(=O)[C@H]1C(=O)C2=C(C[C@H]1C)NC(=O)C[C@H]2c1cccc(Cl)c1 4986716 JHHBTHAUHPMWAV-MURWCNHISA-N 347.798 2.596 30 40 EFEB C#CCN1CCC(C(=O)Nc2ccc3c(c2)O[C@](C)(CC)O3)CC1 97104346 XDJOFKGRHGZEDK-LJQANCHMSA-N 328.412 2.868 30 40 EFEB CN(C)c1ccc([C@H](C#N)N2C[C@@H]3C[C@@H](C2)c2cccc(=O)n2C3)cc1 100746322 NRSULNRVANKMOG-KNBMTAEXSA-N 348.450 2.598 30 40 EFEB CC(=O)N[C@H]1[C@H](O)C[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 118913913 FOJQXPABGWZAGJ-RMWFXKKMSA-N 345.483 2.994 30 40 EFEB biogenic,in-vitro C[C@@H](NC(=O)COc1ccc2c(c1)CCC(=O)N2)c1ccc(C#N)cc1 26126820 YORWYIKITGUQIF-CYBMUJFWSA-N 349.390 2.699 30 40 EFEB C=CCN(CC(F)(F)F)C(=O)CCn1c(=O)oc2ccccc21 58292686 QPBNOYPOKRIQBD-UHFFFAOYSA-N 328.290 2.562 30 40 EFEB CC(=O)c1cccc(O[C@@H](C)C(=O)[C@H](C#N)c2cc(C)nc(C)n2)c1 58267756 TYXOVUKULYOIQG-SUMWQHHRSA-N 337.379 2.940 30 40 EFEB Cc1ccc(S(=O)(=O)/N=C(\O)COc2cccc(C#N)c2)c(C)c1 48476576 QIHKBCXVZRIUBY-UHFFFAOYSA-N 344.392 2.899 30 40 EFEB C#Cc1cccc(NC(=O)Cc2ccc(OC)c(OC)c2OC)c1 12945176 DHTQCTDNXXIDGZ-UHFFFAOYSA-N 325.364 2.875 30 40 EFEB C/C(=N\Nc1cccc(C(=O)O)c1)c1ccc2c(c1)NC(=O)CO2 13186698 PPYUMKOHYVECFD-VXLYETTFSA-N 325.324 2.552 30 40 EFEB Cc1cc(C)n2c(SCCOc3ccc(C#N)cc3)nnc2n1 14250944 SEBJEGLVGLQENI-UHFFFAOYSA-N 325.397 2.784 30 40 EFEB CCCn1c(=O)c2ccccc2n2c(SCCCC#N)nnc12 9395635 MSGZZGGGEIOONE-UHFFFAOYSA-N 327.413 2.850 30 40 EFEB Cc1ccc(S(=O)(=O)/N=C(\O)[C@H](C)OC[C@@H]2CCCO2)cc1C 69282722 PCGBRAHQZUOQMT-KBPBESRZSA-N 341.429 2.533 30 40 EFEB Cc1cnn(C[C@H]2CCCN2C(=O)c2cc3ccccc3n2CC#N)c1 71870001 LNKNMCNWORGBRH-QGZVFWFLSA-N 347.422 2.975 30 40 EFEB Cc1cccc([C@@H]2C[C@H]2C(=O)N2CCN(c3cc(C#N)ccn3)CC2)c1 69379358 FYRFNDASTFAGJD-RBUKOAKNSA-N 346.434 2.714 30 40 EFEB N#Cc1ccc(NC[C@H](c2cccc(F)c2)N2CCOCC2)nc1 71833170 DCPXIUFSUSTBBA-QGZVFWFLSA-N 326.375 2.578 30 40 EFEB CCOC(=O)COc1ccc(/C=N/NCc2ccccc2OC)cc1 20761365 ZLGLGDQZOMZHLO-UDWIEESQSA-N 342.395 2.761 30 40 EFEB COc1ccc([C@@H]2[C@@H](C#N)C(=O)Nc3nc4ccccc4n32)cc1OC 20637945 FBCNAWAMJCLTOP-SJKOYZFVSA-N 348.362 2.735 30 40 EFEB C[C@H](C(=O)Nc1ccccc1C#N)N(C)Cc1nccn1C(F)F 96443501 NSUBZWHRLZYDLG-LLVKDONJSA-N 333.342 2.609 30 40 EFEB Cc1csc(CN/C(=N\Cc2ccccc2)NC[C@H]2CCCO2)n1 75583530 MTGUVINDBUNGEX-MRXNPFEDSA-N 344.484 2.866 30 40 EFEB COCc1ccc(CN2CCN(c3ccc(C#N)cc3F)CC2)o1 92596730 PQQKLRKPLUGGGN-UHFFFAOYSA-N 329.375 2.759 30 40 EFEB O=S(=O)(O[C@H]1CC[C@H]2CC[C@@H]1O2)c1ccc(Br)cc1 5411797 HYWZHBGDFNKYQP-WXHSDQCUSA-N 347.230 2.864 30 40 EFEB Cc1ccc(C(=O)N2CCN(c3oc(C4CC4)nc3C#N)CC2)s1 40512063 WMAOCVJMVFJAPP-UHFFFAOYSA-N 342.424 2.756 30 40 EFEB C[C@H](NS(=O)(=O)c1ccc2c(c1)CCO2)c1ccc(C#N)cc1 40520537 VPOFTYRBFFFHLI-LBPRGKRZSA-N 328.393 2.533 30 40 EFEB CCn1ncc2c1CCC[C@@H]2N[C@@H]1CCN(c2ccc(C#N)cc2)C1=O 76046973 HWHYIVSJHAXJPQ-ZWKOTPCHSA-N 349.438 2.547 30 40 EFEB C[C@@H](Oc1ccc(C#N)cc1)C(=O)N1CCCC[C@H]1Cn1cccn1 71865016 IYRBLULSAFKIIV-WBVHZDCISA-N 338.411 2.603 30 40 EFEB CCNC(=S)N/N=C/c1ccc(-c2ccc(C(=O)OCC)cc2)o1 1106382 JNHFVTWVMHZZPQ-YBFXNURJSA-N 345.424 2.941 30 40 EFEB CN1N=C(c2ccc(S(C)(=O)=O)cc2)C[C@H]1c1cccc(C#N)c1 58167389 AQPMJTBWLUJVJY-SFHVURJKSA-N 339.420 2.743 30 40 EFEB CS(=O)(=O)c1ccc(OCc2cn3ccccc3c2C#N)cc1 58168998 JUCAUCYIMBATAE-UHFFFAOYSA-N 326.377 2.793 30 40 EFEB C=CCN(Cc1ccccc1F)C(=O)CNC(=O)c1ccoc1C 58264344 HTKPFJGIALVNER-UHFFFAOYSA-N 330.359 2.672 30 40 EFEB C=CCNC(=O)[C@H](C)OC(=O)c1cccnc1Oc1ccccc1 21620855 SULJLAFCLQQXAY-ZDUSSCGKSA-N 326.352 2.721 30 40 EFEB CO[C@H](/C(O)=N/S(=O)(=O)c1sc(C)nc1C)c1ccccc1 83150848 VJFNPLXBHVTWLJ-LBPRGKRZSA-N 340.426 2.793 30 40 EFEB COC(=O)c1sc(NC(=O)c2cccc(OC)c2)c(C#N)c1C 4537758 RQDVXQMXOAGWBT-UHFFFAOYSA-N 330.365 2.976 30 40 EFEB COc1cccc([C@@H]2C3=C(Nc4ncnn42)c2ccccc2C3=O)c1 5451036 WGFUNKALDDOXAE-QGZVFWFLSA-N 330.347 2.909 30 40 EFEB CC(=O)Nc1ccc(/C(C)=N/OCC(=O)NC2CCCCC2)cc1 14397140 ICEQOUGHUQTEMQ-FYJGNVAPSA-N 331.416 2.835 30 40 EFEB NC1=C(c2nc3ccccc3s2)C(=O)CN1c1ccc2cn[nH]c2c1 8231225 XIKUMESIYDISAF-UHFFFAOYSA-N 347.403 2.889 30 40 EFEB COc1ccc(-c2nc(CNC(=O)Nc3cccc(C#N)c3)n[nH]2)cc1 69567176 DQNOFHTVQDNBAV-UHFFFAOYSA-N 348.366 2.674 30 40 EFEB N#CC1(CS(=O)(=O)N[C@@H]2CCCC[C@H]2OCc2ccccc2)CC1 97144690 NKDXSWWXCOZQNH-IAGOWNOFSA-N 348.468 2.738 30 40 EFEB O=S(=O)(CC1CCCC1)/N=C(\O)c1ncccc1C(F)(F)F 97113054 AJQDMVGFSSESIF-UHFFFAOYSA-N 336.335 2.925 30 40 EFEB N#Cc1ccc(F)c(CNC(=O)NCCOc2ccc(Cl)cn2)c1 84340787 RWRZLANKOPIUEF-UHFFFAOYSA-N 348.765 2.624 30 40 EFEB CC1CC(C(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)C1 84741423 BOBBHEBBJYGRAF-UHFFFAOYSA-N 340.383 2.501 30 40 EFEB COc1cc(C#N)ccc1Cn1cc(C(N)=O)c(-c2ccccc2)n1 95980494 NOAJEDVVQJKPQN-UHFFFAOYSA-N 332.363 2.578 30 40 EFEB C=CC/N=C(\NCC[C@H](CC)N1CCCC1=O)NCc1cccs1 75583381 YFKFWJVLCSHPIM-HNNXBMFYSA-N 348.516 2.760 30 40 EFEB Cc1cccc(N=C[C@H]2C(=O)NC(=O)N(c3cccc(C)c3)C2=O)c1 408528797 WMYFEHSPXKLPEU-INIZCTEOSA-N 335.363 2.905 30 40 EFEB CO[C@@H]1C[C@@H](c2n[nH]c(C)n2)N(Cc2ccc(F)c(C#N)c2Cl)C1 583617656 ZZWONKCDTBKWMF-RISCZKNCSA-N 349.797 2.739 30 40 EFEB C#CCOc1ccccc1[C@H](C)OC(=O)C1CCN(C(C)=O)CC1 78612900 JKHHUEBCVCUYAO-AWEZNQCLSA-N 329.396 2.561 30 40 EFEB COc1cccc(/C=N\CC/N=C/c2cccc(OC)c2O)c1O 118409892 POOCDAFRRKDABS-UHWBUFEVSA-N 328.368 2.653 30 40 EFEB COc1cc(CC/N=C/c2ccccc2O)c([N+](=O)[O-])cc1OC 17128928 RSXJVGBHRBQFFH-WOJGMQOQSA-N 330.340 2.979 30 40 EFEB Cc1ccc(C(=O)N2C[C@@H]3CN(c4ccc(C#N)cn4)C[C@@H]3C2)s1 1065949461 HQDHOFCPXMUVFG-GASCZTMLSA-N 338.436 2.532 30 40 EFEB COc1ccc([C@@H]2c3sc(=O)[nH]c3SC[C@@H]2C=O)cc1OC 587362 GPVRNEQZVHQYAN-CABZTGNLSA-N 337.422 2.506 30 40 EFEB C#CCNC(=O)[C@H](CC(C)C)NC(=O)c1ccc(Cl)cc1Cl 21903260 CAFIOVULLFTEAO-AWEZNQCLSA-N 341.238 2.887 30 40 EFEB CN(C)C(=O)NC1CC2(CCN(Cc3cccc(C#N)c3)CC2)C1 108528176 SKZPUCFXDATQFN-UHFFFAOYSA-N 326.444 2.574 30 40 EFEB C=CCNC(=O)c1ccccc1NS(=O)(=O)c1ccc(F)cc1C 27757233 PPHNFVAGZHFTJK-UHFFFAOYSA-N 348.399 2.851 30 40 EFEB Cc1c(C#N)c(NC(=O)Cn2ccnc2)n(-c2ccc(F)cc2)c1C 12506968 RZYZWJXDYJPCMG-UHFFFAOYSA-N 337.358 2.940 30 40 EFEB N#Cc1cccc(NC(=O)CN2CCO[C@@H](c3ccc(F)cc3)C2)c1 13002686 ZCDKWBDJRANVKF-GOSISDBHSA-N 339.370 2.709 30 40 EFEB CN(CCOc1ccccc1F)S(=O)(=O)Cc1ccc(C#N)cc1 8734572 RHDJIFKTXDHOAG-UHFFFAOYSA-N 348.399 2.538 30 40 EFEB CC(C)Cc1nc(NCCN(C)C)c(C#N)c2c1COC(C)(C)C2 4045659 DBZXQFVENKNJAK-UHFFFAOYSA-N 330.476 2.977 30 40 EFEB biogenic Cc1cccc(/N=C/[C@@H]2C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)c1 4738543 CGXZLHZIWUXYKG-IXJMWADBSA-N 339.326 2.736 30 40 EFEB C#Cc1cccc(NS(=O)(=O)c2ccc(C(=O)OCC)cc2)c1 14849698 NMNVKSYHDJOISM-UHFFFAOYSA-N 329.377 2.645 30 40 EFEB O=S(=O)(/N=C(\O)c1ncccc1C(F)(F)F)c1cccs1 97112905 FQHYXDBESFYBHU-UHFFFAOYSA-N 336.316 2.855 30 40 EFEB COc1cccc([C@@H](O)C(=O)N[C@@H](C#N)c2ccccc2Cl)c1 95450408 KKUFUJIUTJSBJW-JKSUJKDBSA-N 330.771 2.763 30 40 EFEB N#CCCN(Cc1nnc(-c2ccc(F)cc2)o1)C1CCOCC1 95405143 AJFNNCVDVIHLKO-UHFFFAOYSA-N 330.363 2.770 30 40 EFEB COc1ccc(CNc2c[nH]c(=O)cc2C)cc1OCCCC#N 89600805 NULWARCLKRSBCT-UHFFFAOYSA-N 327.384 2.987 30 40 EFEB O=C(NCCc1nc[nH]n1)Nc1ccccc1C#Cc1ccccc1 89821672 SHMNKDXYUVLNBE-UHFFFAOYSA-N 331.379 2.569 30 40 EFEB N#C[C@@]1(c2ccccn2)CCCN(CC(=O)NCC2CCCCC2)C1 585094438 DFXKXBZPKBPVAR-FQEVSTJZSA-N 340.471 2.635 30 40 EFEB C#CCN1CCC(C(=O)Nc2ccc(C)c(OCC(F)F)c2)CC1 69438794 JCZPNEZHRNESCQ-UHFFFAOYSA-N 336.382 2.923 30 40 EFEB CC(C)(C)c1noc(CCC(=O)NCCc2ccc(C#N)cc2)n1 597891852 BXBVBDAZSPOCRG-UHFFFAOYSA-N 326.400 2.530 30 40 EFEB C=CCN1C(=O)/C(=C/c2cc3c(cc2OC)OCO3)SC1=S 15013233 AXHGEGPCNYGXSK-MLPAPPSSSA-N 335.406 2.811 30 40 EFEB CCCc1nc(C)c(C(=O)NCCNc2ncccc2C#N)s1 53219570 HHFBAYMSRAXZQL-UHFFFAOYSA-N 329.429 2.513 30 40 EFEB C=C(Cl)COC(=O)CCNC(=O)NC12CC3CC(CC(C3)C1)C2 22987780 VQZSTFGMICXBOZ-UHFFFAOYSA-N 340.851 2.940 30 40 EFEB Cc1csc(=O)n1CCCC(=O)Nc1ccc(OCC#N)cc1 26502431 KMQFUZPKSCSYTL-UHFFFAOYSA-N 331.397 2.540 30 40 EFEB N#Cc1cccc(S(=O)(=O)Nc2ccc(NC(=O)C3CC3)cc2)c1 14097419 RYYCJUQPNQYPIP-UHFFFAOYSA-N 341.392 2.708 30 40 EFEB CC(=O)N1CCCCC[C@@H]1C1CCN(c2ccc(C#N)cn2)CC1 69845953 RIKSZXXZGGGNJO-GOSISDBHSA-N 326.444 2.961 30 40 EFEB N#Cc1ccc(N2CCC(NC(=O)N3CCCCCCC3)CC2)nc1 67090819 SCSBNPIHVCPRJK-UHFFFAOYSA-N 341.459 2.898 30 40 EFEB N#Cc1cnn(C(=O)COc2ccc(Nc3ccccc3)cc2)c1N 95957084 QPNBVVVKFMWSQP-UHFFFAOYSA-N 333.351 2.800 30 40 EFEB C[C@@H](C/N=C(/N)N(C)C1CC1)Oc1ccccc1Br 195559343 DJYAZKBZJIZHPY-JTQLQIEISA-N 326.238 2.625 30 40 EFEB CCS(=O)(=O)c1cnc(S)c(C#N)c1-c1cccc([N+](=O)[O-])c1 96510092 AKIBGTQPIBGLFZ-UHFFFAOYSA-N 349.393 2.611 30 40 EFEB C=CCOC[C@@H]1c2nnn(CC3CC3)c2CCN1Cc1ccoc1 96060586 VUXYJOQLSRJTQD-QGZVFWFLSA-N 328.416 2.583 30 40 EFEB Cc1noc(C(C)C)c1/C(O)=N/S(=O)(=O)Cc1ccc(C#N)cc1 48508415 GWTPKWNEKOOXCE-UHFFFAOYSA-N 347.396 2.813 30 40 EFEB CCOc1cc(/C=N/Nc2nc(C)cc(COC)c2C#N)ccc1O 15225273 KFORIXCVAJOXFH-KEBDBYFISA-N 340.383 2.958 30 40 EFEB COc1ccc(N/C=C(\C(C)=O)c2nnnn2-c2ccccc2)cc1 16138702 WFHHBLGTKOWSNN-SFQUDFHCSA-N 335.367 2.713 30 40 EFEB Cc1cc(-c2ccc(/C=N/N=C3\NC(=O)CS3)o2)ccc1[N+](=O)[O-] 5578073 JXIBOCKLAGQPCJ-FRKPEAEDSA-N 344.352 2.716 30 40 EFEB COc1c2c(cc3c1[C@@H](C/C(=N/O)C(F)(F)F)N(C)CC3)OCO2 20411374 SSLINGPLJYLXKA-DAPYGLKOSA-N 346.305 2.736 30 40 EFEB biogenic Cc1n[nH]c(C)c1/C=C/C(=O)c1ccc(N2CCOCC2)c(F)c1 40549497 XSZLHYJVVXPHDI-GQCTYLIASA-N 329.375 2.898 30 40 EFEB O=C(NCC#Cc1ccccc1)c1cc(Br)ccc1O 32899026 DRLHILYHBXMHEC-UHFFFAOYSA-N 330.181 2.936 30 40 EFEB COc1ccc(/C(COC(=O)c2cccc([N+](=O)[O-])c2)=N/O)cc1 102519830 SCDUUJITRJVZBA-BMRADRMJSA-N 330.296 2.639 30 40 EFEB CC1(C)CC(=O)C2=C(C1)OC(N)=C([N+](=O)[O-])[C@H]2c1ccc(C#N)s1 809350 DJQPANGAHQCECF-ZDUSSCGKSA-N 345.380 2.781 30 40 EFEB C[C@](C#N)(NC(=O)CNc1ccc(F)c(Br)c1)C1CC1 96427602 CAGQHVDNJMYKJW-CQSZACIVSA-N 340.196 2.809 30 40 EFEB O=C1Nc2c(cc(Cl)cc2[N+](=O)[O-])N/C1=C/C(=O)c1cccnc1 104238026 BBXUIVWFZIORHS-IZZDOVSWSA-N 344.714 2.774 30 40 EFEB CC1(C)CC(=O)C2=C(C1)O[C@@H]([N+](=O)[O-])[C@@H]2c1cccc([N+](=O)[O-])c1 100929297 UQHRGGVWXVAUMF-UKRRQHHQSA-N 332.312 2.955 30 40 EFEB COc1cccc([C@@H]2C3=C(CCCC3=O)Nc3[nH]nc(O)c32)c1OC 18195520 FIVYUSRGAXYYHG-CYBMUJFWSA-N 341.367 2.697 30 40 EFEB CCOc1cc([C@@H]2[C@@H](C#N)C(=O)Nc3nc4ccccc4n32)ccc1O 20637933 PGKZUWPVVJZJDR-SJKOYZFVSA-N 348.362 2.822 30 40 EFEB N#CCOc1ccc(C(=O)NC2CCN(Cc3ccccc3)CC2)cc1 3433848 HTSXOOZRUNKBQK-UHFFFAOYSA-N 349.434 2.983 30 40 EFEB C[C@H]1CCc2c(sc(NC(=O)c3n[nH]cc3[N+](=O)[O-])c2C#N)C1 6411982 OFNGSLSVXIDDBJ-ZETCQYMHSA-N 331.357 2.628 30 40 EFEB C=CCCCS(=O)(=O)CC(=C)S(=O)(=O)c1ccc(C)cc1 71405094 YIFCJMVOZDDCOZ-UHFFFAOYSA-N 328.455 2.663 30 40 EFEB C[C@H]1CN(C(=O)c2occc2COc2cccc(C#N)c2)C[C@H](C)O1 69371766 JHDVPUZOLVCDMD-KBPBESRZSA-N 340.379 2.980 30 40 EFEB CC(=O)Nc1cccc(OCCNC(=O)Nc2cccc(C#N)c2)c1 69653361 ZUCYYLZQPCQIJI-UHFFFAOYSA-N 338.367 2.717 30 40 EFEB N#Cc1nnc2ccccc2c1N1CCCN(c2nccs2)CC1 71920625 ITNVOKIAZPJLMA-UHFFFAOYSA-N 336.424 2.675 30 40 EFEB N#Cc1cc(F)ccc1NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] 97135114 CDMPORIPEWTPCA-UHFFFAOYSA-N 339.279 2.545 30 40 EFEB CC/N=C(/NCCOC1CCCCCC1)NCc1nc(C2CC2)no1 95963115 MPCUMUKFXYDTER-UHFFFAOYSA-N 349.479 2.742 30 40 EFEB COc1ccc(S(=O)(=O)N(C)c2ccc(CC#N)cc2)cc1OC 224806190 KCHFVMOHLAPGFV-UHFFFAOYSA-N 346.408 2.595 30 40 EFEB Cn1cc(/C=N/N2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@H]5C[C@@H]45)[C@H]3C2=O)c2ccccc21 226669099 UPHRIRMXYZVLDE-XAEWOVTMSA-N 345.402 2.565 30 40 EFEB N#Cc1ccc(C(F)(F)F)c(N2CCN(c3cccnn3)CC2)c1 97096941 NWQAXGSCJMLTDY-UHFFFAOYSA-N 333.317 2.694 30 40 EFEB CC1=NN(c2ccccc2)C(=O)/C1=N\Nc1ccc2c(c1)COC2=O 96193204 LKVFMBLFOGJCPG-SILNSSARSA-N 334.335 2.548 30 40 EFEB N#Cc1c(NC(=O)NCc2ccc(F)cc2)sc2c1CCNC2 47672028 GCIAKBNJCHCELH-UHFFFAOYSA-N 330.388 2.726 30 40 EFEB Cc1cccn2cc(COC(=O)c3ccc(NC(=O)CC#N)cc3)nc12 14674783 SDBZXLNGLQWCHX-UHFFFAOYSA-N 348.362 2.852 30 40 EFEB COc1cc2c(cc1OC)[C@@H](c1ncc[nH]1)C1=C(CCCC1=O)N2 18196938 FLEMBCJZICFHOI-MRXNPFEDSA-N 325.368 2.991 30 40 EFEB CCN(CC)CCOC(=O)c1ccc(/N=C2/CSC(=O)N2)cc1 1780125 LEOZECZIPQDTBB-UHFFFAOYSA-N 335.429 2.672 30 40 EFEB C[C@@H](NC(=O)CN1C(=O)CCOc2ccccc21)c1ccc(C#N)cc1 31434847 CWAPQYAKVJYRHM-CQSZACIVSA-N 349.390 2.551 30 40 EFEB CC(C)[C@](C)(C#N)NC(=O)CN[C@@H](c1ccccc1)c1ccccn1 32832933 OZAWKABORSBBDH-PMACEKPBSA-N 336.439 2.815 30 40 EFEB COc1ccc([C@@H]2/C(=C(/C)O)C(=O)C(=O)N2Cc2cccnc2)cc1 106461679 FAENDCXYENSDOX-NWNNTGRJSA-N 338.363 2.575 30 40 EFEB CCCc1nc(C)c(/C(O)=N/S(=O)(=O)c2ccc(C#N)cc2)s1 48504105 OUBZWBQMMTUHTD-UHFFFAOYSA-N 349.437 2.969 30 40 EFEB Cc1cc(C)n(CC(=O)N[C@H](c2ccccc2)C(C)C)c(=O)c1C#N 12921681 GYKCPGRQYGMGRF-IBGZPJMESA-N 337.423 2.850 30 40 EFEB N=C1NN=C(c2ccc(Cl)cc2)/C1=N\Nc1cccc(C(=O)O)c1 3767623 CKDIMEQMTGNEKD-UHFFFAOYSA-N 341.758 2.791 30 40 EFEB O=c1nc(N/N=C/c2c[nH]c3ccccc23)[nH]nc1Cc1ccccc1 6681443 HAGUWKHSZRTYSE-CIAFOILYSA-N 344.378 2.683 30 40 EFEB N#Cc1cnn(-c2ccc(C(=O)N3CCc4sccc4C3)cc2)c1N 66239969 SQQSVVPPKVXZPP-UHFFFAOYSA-N 349.419 2.586 30 40 EFEB CCNC(=O)[C@H]1CCCN(c2ccc(C#N)cc2C(F)(F)F)C1 89977385 XYDIBBKYYQVRTA-LBPRGKRZSA-N 325.334 2.930 30 40 EFEB C=CCN1C(=O)N/C(=C\c2ccc(-c3ccccc3[N+](=O)[O-])o2)C1=O 409140439 DQCWKWAIHPGVPI-RAXLEYEMSA-N 339.307 2.934 30 40 EFEB O=C(NC[C@H]1CCC[C@@H]1O)Nc1cccc(C#Cc2ccccn2)c1 96434833 OJOCFUYGCZBMLB-APWZRJJASA-N 335.407 2.764 30 40 EFEB C[C@@H](NC(=O)CC1CCCCC1)C(=O)Nc1ccc(F)c(C#N)c1N 585128515 DJQXVBMVVDWUBM-LLVKDONJSA-N 346.406 2.693 30 40 EFEB C#CCCC1(CCC(=O)N[C@@](C)(C(=O)O)c2cc(F)ccc2F)N=N1 1616030711 FACCURASERTPBQ-MRXNPFEDSA-N 349.337 2.737 30 40 EFEB N#CC1(NC(=O)c2cc3c(F)cccc3[nH]2)CCC2(CC1)OCCO2 69817374 HXSXWZKMAKZVPU-UHFFFAOYSA-N 343.358 2.616 30 40 EFEB CSc1nc2n(n1)[C@H](c1cccc(O)c1)C1=C(C[C@@H](C)CC1=O)N2 14165077 CLJFBMGSKJUARJ-RFAUZJTJSA-N 342.424 2.974 30 40 EFEB O=C1[C@H]2[C@H]3C=C[C@H](CC3)[C@H]2C(=O)N1/N=C/c1ccc(Br)o1 12374936 PUQOAMYQHUAWOD-HQONPPMQSA-N 349.184 2.573 30 40 EFEB COc1ccc(CN2CCCN(C(=O)C3(C#N)CCCC3)CC2)cc1 42037322 HMSCPXUJARMYCC-UHFFFAOYSA-N 341.455 2.813 30 40 EFEB N#Cc1ccc(N2CCC[C@H](N3CCC[C@H](n4cccn4)C3)C2=O)cc1 108493278 NIAWOMIHSGPZAJ-OALUTQOASA-N 349.438 2.587 30 40 EFEB C=CCn1c(SCC(=O)NC2CC2)nc2sc(CC)cc2c1=O 3260951 YKYYNJVMSWVVCF-UHFFFAOYSA-N 349.481 2.577 30 40 EFEB C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](CNCCc4c[nH]cn4)[C@H]3C[C@H]12 12661715 LIPXWZPIPQPEAZ-KWXDATOUSA-N 343.471 2.856 30 40 EFEB biogenic Cn1nc(C(C)(C)C)cc1C(=O)N(CCC#N)Cc1cccnc1 96425228 CCSHAZRXBPUJQJ-UHFFFAOYSA-N 325.416 2.669 30 40 EFEB N#Cc1ccc(C(=O)OCC(=O)Nc2ccc(F)c(F)c2F)cc1 3474582 FPBDANKVSHVJNL-UHFFFAOYSA-N 334.253 2.771 30 40 EFEB O=c1c(Cl)c(N/N=C/c2ccccn2)cnn1-c1ccccc1 3961759 BZERCXDWCMPVQG-VXLYETTFSA-N 325.759 2.727 30 40 EFEB CCc1ccc([C@@H]2[C@H](S(=O)(=O)c3ccccc3)[C@]2(C#N)C=O)cc1 218517568 FFZBHABZJUTCEQ-CEXWTWQISA-N 339.416 2.898 30 40 EFEB Cn1nnc2cc(/C(O)=N/CCN3CC=C(C(C)(C)C)CC3)ccc21 330039149 AVRZWLCYJNCQKK-UHFFFAOYSA-N 341.459 2.951 30 40 EFEB C[C@H](Oc1cccc(Br)c1)C(=O)N(C)[C@@H](C)CC#N 96426407 HKYTXTIOCBDNMI-QWRGUYRKSA-N 325.206 2.977 30 40 EFEB C[C@H](C1CC1)N(CCC#N)C(=O)Nc1ccc(C(N)=O)c(Cl)c1 72305973 JTXHXLLFOBLMBR-SNVBAGLBSA-N 334.807 2.985 30 40 EFEB N#Cc1ccnc(OC[C@@H]2CCCN(c3ncc(Cl)cn3)C2)c1 1776008119 ZRRBLLISZJXGKQ-CYBMUJFWSA-N 329.791 2.692 30 40 EFEB C#CCNC(=O)[C@H](C)Sc1cc(Br)ccc1OC 89478428 BGQOKMQBGKIZIZ-VIFPVBQESA-N 328.231 2.688 30 40 EFEB Cc1ccnc(OC[C@@]23CCC[C@@H]2CN(c2ccc(C#N)nc2)C3)n1 1888866957 IQCMWYVSHFCGHI-BEFAXECRSA-N 335.411 2.737 30 40 EFEB N#Cc1ccc(N2C[C@H]3CN(c4nc5cnccc5s4)C[C@H]3C2)nc1 1888904256 KXIVGKBYGCBSAD-OKILXGFUSA-N 348.435 2.531 30 40 EFEB COc1ccc(OC)c([C@@H]2Nc3nonc3NC3=C2C(=O)CCC3)c1 12409273 XTALAUKAXHPDLI-HNNXBMFYSA-N 342.355 2.673 30 40 EFEB Cc1cc(N2CCN(C(=O)C3(C#N)CCCC3)CC2)nc(C(C)C)n1 32461379 XKVFUHKIQWXHCN-UHFFFAOYSA-N 341.459 2.641 30 40 EFEB O=C(O)/C=C1/CN([C@H](C(=O)C2CC2)c2ccccc2F)CC[C@H]1S 100058480 ZWUQVNSJSJHFPS-QHXWSXNTSA-N 349.427 2.861 30 40 EFEB in-vitro O=C(O/N=C1\CCCc2nonc21)c1ccccc1Br 59488028 CKEVHMYELPQJPT-XNTDXEJSSA-N 336.145 2.730 30 40 EFEB CCN/C(S)=N/N=C/c1cc(Br)c(OC)c(OC)c1 1789274 LPSSPCGRRBLDCF-VIZOYTHASA-N 346.250 2.696 30 40 EFEB Cc1c(C#N)c(O)n(CCO)c(=O)c1/N=N/c1ccc(Cl)cc1 108423573 RCTIGLKXPTYRHU-VHEBQXMUSA-N 332.747 2.795 30 40 EFEB N#Cc1cc(N2CCC(N3CCNC3=O)CC2)ccc1C(F)(F)F 97144525 LRUQJAABRIELPF-UHFFFAOYSA-N 338.333 2.571 30 40 EFEB Cc1ccc(CCC(=O)NCC(=O)N(CC#N)Cc2ccccc2)cc1 65627102 AGILGBXOWFXVAM-UHFFFAOYSA-N 349.434 2.596 30 40 EFEB Cc1nc(NC(=O)c2cccc(NC(N)=O)c2)sc1SCC#N 65613828 CFUYIMXEZZBBCB-UHFFFAOYSA-N 347.425 2.810 30 40 EFEB C=CCN(C(=O)c1ccc(Cl)c(Cl)c1)[C@H]1CCS(=O)(=O)C1 69778718 IJCJLJGOFBPTLD-NSHDSACASA-N 348.251 2.809 30 40 EFEB N#Cc1ccsc1C(=O)N1CCN(C(=O)CC2CCCCC2)CC1 75582000 UWDXOCRAWRIQLM-UHFFFAOYSA-N 345.468 2.875 30 40 EFEB CCc1nc2ccccc2c(=O)n1N1C[C@@]1(C)C#Cc1ccccc1 408821965 AXSIWIKNJYSFIT-FKHAVUOCSA-N 329.403 2.721 30 40 EFEB N#Cc1ncn(CC[S@](=O)c2cc(Cl)ccc2Cl)c1C#N 126061561 WEFQKXHKMQNTGR-OAQYLSRUSA-N 339.207 2.741 30 40 EFEB C=CCN(c1ccc2c(c1)OCCO2)S(=O)(=O)c1ccc(F)cc1 224916637 ATSKOMBCBKODEZ-UHFFFAOYSA-N 349.383 2.978 30 40 EFEB Cc1ccc(S(=O)(=O)N(C)[C@H](C)CC#N)cc1Br 96427917 XNSWZZLFPZHYSW-SNVBAGLBSA-N 331.235 2.680 30 40 EFEB CC1(C)OB(c2c(Br)cc(F)c(C=O)c2F)OC1(C)C 642814660 PWYSKKKYKFXYGQ-UHFFFAOYSA-N 346.964 2.839 30 40 EFEB C[C@@](C#N)(NC(=O)CN(CCc1cccc(F)c1)C1CC1)C1CC1 71905305 AVQNXZYCPZQRMC-IBGZPJMESA-N 329.419 2.641 30 40 EFEB COCCCNC(=S)N/N=C\c1cc(Cl)cc(Cl)c1O 17125970 VORGXWCQEJRSQU-APSNUPSMSA-N 336.244 2.534 30 40 EFEB N#Cc1cccc(C(=O)N2CCC[C@@H]2c2nnc3n2CCCCC3)c1 40510461 IGDSOGSHTDGFFP-MRXNPFEDSA-N 335.411 2.853 30 40 EFEB CCN(C(=O)Cn1nnc2ccccc21)[C@@H](C)c1ccc(C#N)cc1 32800880 FGRIVCRYSYMAJT-AWEZNQCLSA-N 333.395 2.913 30 40 EFEB C=CCN1C(=O)/C(=C/c2ccc(OCC#N)c(OC)c2)SC1=S 33154806 QIMUSMWRINAUJG-UVTDQMKNSA-N 346.433 2.985 30 40 EFEB N#Cc1ccc(N2CCN(C(=O)C3(c4ccccc4)CCC3)CC2)nc1 71821390 OZJAWVMYOMVLFW-UHFFFAOYSA-N 346.434 2.724 30 40 EFEB CN1CC[C@@H](C(=O)[C@H](C#N)c2nc(-c3ccccc3)cs2)CC1=O 41522288 VAXCDKMBTLGQLL-KGLIPLIRSA-N 339.420 2.855 30 40 EFEB O=C1/C(=N\N=c2\[nH]ccs2)C(c2ccccc2)=NN1c1ccccc1 4714115 SSDCCUULADRYJO-SILNSSARSA-N 347.403 2.784 30 40 EFEB C#CCN(Cc1ccc(C(N)=O)cc1[N+](=O)[O-])[C@@H]1CCc2ccccc21 47405970 RVCOWKVONDPQSP-GOSISDBHSA-N 349.390 2.816 30 40 EFEB Cc1ccc(S(=O)(=O)N/N=C2\C[C@H]3[C@@H]4C[C@@H]5[C@H]3CC[C@H]5[C@@H]24)cc1 104061184 AOWJDZNASUGJOG-NDXLFZRCSA-N 330.453 2.941 30 40 EFEB CCCC(=O)C1=C(N[C@@H](C)C(=O)O)C[C@@H](c2ccccc2)CC1=O 101549129 VMAFENFKCPWJBE-GXTWGEPZSA-N 329.396 2.819 30 40 EFEB COc1ccccc1NC(=S)N/N=C/c1ccc(NC(C)=O)cc1 3350556 NLIRDPTWKBPGII-WOJGMQOQSA-N 342.424 2.974 30 40 EFEB COCCNC(=O)Nc1cccc(OCc2cccc(C#N)c2)c1 48319431 JNWGHORCYXHPTI-UHFFFAOYSA-N 325.368 2.905 30 40 EFEB CC1=CC(=O)[C@@H](C(=O)/C=C/c2ccc(N3CCCCC3)cc2)C(=O)O1 3547022 GOAJZWLBVQOFOZ-QPGLYAHGSA-N 339.391 2.905 30 40 EFEB C=CCn1c(=O)n(C(C)C)c(=O)c2c3c(sc21)COC(C)(C)C3 5274481 ZLGPWAMPQYLBFD-UHFFFAOYSA-N 334.441 2.843 30 40 EFEB CSc1ncccc1C(=O)OCC(=O)[C@H](C#N)c1nc(C)cs1 6610294 UTQGDLIOPVDOIA-NSHDSACASA-N 347.421 2.602 30 40 EFEB C[C@H]1CCCCN1C(=O)NC1CCN(c2ccc(C#N)cn2)CC1 67090150 XSSMWCJXDDSPHM-AWEZNQCLSA-N 327.432 2.506 30 40 EFEB C[C@@H]1C[C@@H]1C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCCCN2)cc1 8209414 LICIJADIIFNCQL-DOMZBBRYSA-N 349.456 2.532 30 40 EFEB CCCCNC(=O)NC(=O)CNc1ccccc1SC[C@@H](C)C#N 69699552 NVIMITCHRIRYPV-ZDUSSCGKSA-N 348.472 2.976 30 40 EFEB N#CCCN(Cc1nnc(-c2ccc(F)cc2)o1)C[C@@H]1CCOC1 95405146 SDLMRKBMZORPBW-ZDUSSCGKSA-N 330.363 2.628 30 40 EFEB CC(C)Oc1ccc(NC(=O)N[C@H]2CCc3[nH]ncc3C2)cc1C#N 89888050 PPEIXXIUAWBPPP-AWEZNQCLSA-N 339.399 2.748 30 40 EFEB C[C@H](c1cccc(C#N)c1)N1CCN(C2C[C@@H]3CC[C@H](C2)N3C)CC1 189973769 MZQHSKBHMIRLQN-ZEDDUWKQSA-N 338.499 2.862 30 40 EFEB N#CCCCn1ccc(NC(=O)c2c[nH]nc2-c2ccccc2F)n1 87373197 BOSPHNRVMCDTIX-UHFFFAOYSA-N 338.346 2.968 30 40 EFEB CC1(C)[C@H]2C[C@@H]1[C@]1(C)OB([C@@H](N)COCc3ccccc3)O[C@@H]1C2 199587878 IAHQZYXIYYCNGD-LVEJAMMSSA-N 329.249 2.798 30 40 EFEB C=CCN1C(=O)CCC12CCC(NCc1cccnc1OC)CC2 96228565 QUUHBGOLZLCXCM-UHFFFAOYSA-N 329.444 2.670 30 40 EFEB C[C@@H](CN[C@@H](C(N)=O)c1ccc(C#N)cc1)Oc1ccccc1Cl 96437226 MULXTTMCIGGDTL-YVEFUNNKSA-N 343.814 2.795 30 40 EFEB C=CCn1c(SC[C@H](O)CC2(O)CCC2)nnc1-c1ccccc1 585120889 TYRMBPPDGSDCIE-OAHLLOKOSA-N 345.468 2.889 30 40 EFEB CN(C)C[C@H](NC(=O)NCC1(CC#N)CC1)c1ccc(Cl)cc1 252497153 PZZWFBUENYGJQJ-HNNXBMFYSA-N 334.851 2.936 30 40 EFEB N#Cc1ccc(C(=O)N2CCC[C@H]2c2nnc3n2CCCCC3)cc1 40481271 CQYKFBJRPMQSFG-INIZCTEOSA-N 335.411 2.853 30 40 EFEB CC(C)n1ncc2cc(NS(=O)(=O)c3cccc(C#N)c3)cnc21 32098012 RYOGWCWTYRJVEC-UHFFFAOYSA-N 341.396 2.685 30 40 EFEB C/C(O)=C1\C(=O)C(=O)N(Cc2cccnc2)[C@H]1c1ccc(F)cc1 102439446 HYVNDSXXRGYHRH-SFKKXYGYSA-N 326.327 2.705 30 40 EFEB COCCCN1C(=O)C(=O)/C(=C(/O)c2ccco2)[C@H]1c1ccccc1 102928970 XFTNDKXLLUHLJY-IBOXJLQUSA-N 341.363 2.738 30 40 EFEB CCCOc1ccc(/C=C/C(=O)[C@H]2C(=O)C=C(C)OC2=O)cc1OC 103085731 AALQEFUTGMVUFX-FZMUQLTDSA-N 344.363 2.712 30 40 EFEB CCOC(=O)N1CCC2(CC1)[C@@H](C(=O)c1ccccc1)C2(C#N)C#N 4454735 LGABVIADDAAGKG-MRXNPFEDSA-N 337.379 2.771 30 40 EFEB C=C1[C@H](O)[C@@]23CC[C@@H]1C[C@@H]2[C@]12C=[N+](CCO)C[C@@](C)(CCC1)[C@H]2CC3 102951286 RXGJFLXLQIECAN-KYMPNAOUSA-N 344.519 2.996 30 40 EFEB COC(=O)c1ccc(/C=N/Nc2nnc3c(n2)[nH]c2ccccc23)cc1 1242161 GFFFNUMDZLXCIE-VXLYETTFSA-N 346.350 2.739 30 40 EFEB N#Cc1ccc(C(=O)OCC(=O)NCc2ccc(F)c(Cl)c2)cc1 57471962 WZGJDUUWSOAOIZ-UHFFFAOYSA-N 346.745 2.824 30 40 EFEB CCc1c(C(=O)Nc2cc(C)nn2CCC#N)[nH]c(C)c1C(C)=O 58293365 GWLWLCSHIYUKHK-UHFFFAOYSA-N 327.388 2.759 30 40 EFEB CCOc1ccccc1/C=C/C(=O)c1ccc(S(N)(=O)=O)cc1 12856106 CTSSGFJUHJSVFC-FMIVXFBMSA-N 331.393 2.629 30 40 EFEB Cc1noc(C(C)C)c1/C(O)=N/S(=O)(=O)Cc1ccccc1C#N 48505707 FGSHWUHSDNLOFJ-UHFFFAOYSA-N 347.396 2.813 30 40 EFEB COc1ccccc1/C=C1\Oc2cc(OCC(=O)O)ccc2C1=O 4084760 XAFVWCZOMCIYBV-PXNMLYILSA-N 326.304 2.775 30 40 EFEB biogenic CC(C)[C@@H](C)NC(=O)C1CCN(C(=O)Nc2cccc(C#N)c2)CC1 65565041 WXVGFAKFVUXSBG-CQSZACIVSA-N 342.443 2.963 30 40 EFEB C=CCN(CC(F)(F)F)C(=O)c1csc(-c2ncccn2)n1 66292530 RQGJLPZDSQIMRB-UHFFFAOYSA-N 328.319 2.791 30 40 EFEB CC(C)(C)C(=O)N1CCC(C(=O)OCc2ccccc2C#N)CC1 7087483 XWURXIWBMPIHBB-UHFFFAOYSA-N 328.412 2.886 30 40 EFEB COc1ccc(S(=O)(=O)/C(=N/Nc2ccc(C)cc2)C(C)=O)cc1 96511626 ZIUAEBXIKZTDTN-HTXNQAPBSA-N 346.408 2.792 30 40 EFEB CCc1cc(NS(=O)(=O)c2ccc(C#N)c(Cl)c2)nc(C)n1 97048805 GELHFOOKYWHOEW-UHFFFAOYSA-N 336.804 2.673 30 40 EFEB C[C@@H](O)[C@H](NC(=O)OCc1ccccc1)C(=O)ON=C1CCCCC1 95869947 DRSQCFNOVPVSIT-CJNGLKHVSA-N 348.399 2.526 30 40 EFEB C[C@H](Sc1ncccc1Br)C(=O)N(C)CCC#N 96411984 SILLSNDORUVAGX-VIFPVBQESA-N 328.235 2.697 30 40 EFEB COc1ccc(CN[C@@H]2CC[C@@H](C(F)(F)F)N(C)C2)cc1C#N 583616486 BYUUMMNQZMFANH-HIFRSBDPSA-N 327.350 2.682 30 40 EFEB N#CCCCS(=O)(=O)Nc1cnn(Cc2ccc(Cl)cc2)c1 96435768 LZWWLOUOIYVGFB-UHFFFAOYSA-N 338.820 2.630 30 40 EFEB Cc1cnn(C[C@H]2CCCN2C(=O)c2cn(CC#N)c3ccccc23)c1 72233962 PWDICDZFBKBPTJ-MRXNPFEDSA-N 347.422 2.975 30 40 EFEB O=[N+]([O-])c1ccc(S(=O)(=O)N/N=C/C=C\c2ccccc2)cc1 17146132 BWMATZJVVOZBAS-XSBRNNJSSA-N 331.353 2.572 30 40 EFEB Cc1ncc(CO)c(/C=N/n2cc(-c3ccccc3)nc2S)c1O 6211039 JALYOWWVZWCOQA-UFWORHAWSA-N 340.408 2.622 30 40 EFEB COc1cccc(CN2[C@H]3C=CC(=O)[C@H]2[C@H](C(=O)OC(C)(C)C)C3)c1 100019343 XHKRZZKPVOIIPD-YXJHDRRASA-N 343.423 2.735 30 40 EFEB COc1cc([C@H](C#N)NC(=O)CCc2ccco2)cc(OC)c1OC 60375822 GVOVJPVDMJWDHF-AWEZNQCLSA-N 344.367 2.619 30 40 EFEB C=C(C)CN1CCC(NC(=O)N[C@@H]2CCO[C@@H]2c2ccccc2)CC1 96446993 HPFBMPIYQMPANV-RTBURBONSA-N 343.471 2.856 30 40 EFEB O=[N+]([O-])c1ccc(N/N=C\c2nc3ccccc3[nH]2)c([N+](=O)[O-])c1 4880295 CIWGVRRHHOTENS-NVNXTCNLSA-N 326.272 2.825 30 40 EFEB COC(=O)c1c(C)[nH]c(C(=O)CSc2ncccc2C#N)c1C 8166103 NKDCONWPASWEES-UHFFFAOYSA-N 329.381 2.660 30 40 EFEB C[C@@H](Oc1ccc(C#N)cc1)C(=O)NCC(C)(C)N1CCCCC1 42159892 DKFYZZGKCAATLO-OAHLLOKOSA-N 329.444 2.706 30 40 EFEB CC(C)(C)OC(=O)N[C@@H]1CC[C@@H]2CN(Cc3ccc(C#N)o3)C[C@H]21 108470822 JBWUFBLYMRDTNM-DAXOMENPSA-N 331.416 2.886 30 40 EFEB Cc1ccc([C@]2(C)NC(=O)N(Cc3ccc(C#N)cc3F)C2=O)o1 58306761 QSVBPUAKPBMRRX-KRWDZBQOSA-N 327.315 2.566 30 40 EFEB N#Cc1cnc(SCc2ccn(-c3cccc(F)c3)n2)nc1N 58305183 GHZSNMGZLPJPMR-UHFFFAOYSA-N 326.360 2.548 30 40 EFEB CCCOC(=O)CSc1nc(-c2ccc(C)cc2)c(C#N)c(=O)[nH]1 5238328 OJLJGLWAQVTEBG-UHFFFAOYSA-N 343.408 2.662 30 40 EFEB COc1ccc(-c2csc3ncnc(-n4cnc(C#N)n4)c23)cc1 14199584 WTVNFKKUYXCAAG-UHFFFAOYSA-N 334.364 2.819 30 40 EFEB CCCCNC(=S)N(C)/N=C1\C(O)=Nc2ccc([N+](=O)[O-])cc21 7141386 YBKNNMXXZCQZOU-UHFFFAOYSA-N 335.389 2.507 30 40 EFEB C#CCNC(=O)CSc1nc2ccccc2c2nc3ccccc3n12 7245489 OXNMEMJMJGRHKJ-UHFFFAOYSA-N 346.415 2.877 30 40 EFEB CC(C)[C@H](NC(=O)CN(CCC#N)C1CCOCC1)c1ccccc1 70009102 HIMALDFGRGAPNF-FQEVSTJZSA-N 343.471 2.895 30 40 EFEB N#C[C@@H](c1ccc(O)cc1)N1CCN([C@@H](C#N)c2ccc(O)cc2)CC1 20413682 FBVIADFSDASDEA-PMACEKPBSA-N 348.406 2.545 30 40 EFEB O=C(NCC#CCN1CCCC1)Nc1ccccc1C(F)(F)F 75164691 HPGGSBLBEBCGLH-UHFFFAOYSA-N 325.334 2.926 30 40 EFEB CCn1cc(S(=O)(=O)/N=C(\O)CCCc2ccc(C)s2)cn1 80415123 NHVNSFCPIOTLNH-UHFFFAOYSA-N 341.458 2.941 30 40 EFEB CN(C(=O)CSCC#N)[C@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O 190436870 HEGMUBVEOAIYKE-OCCSQVGLSA-N 345.251 2.667 30 40 EFEB N#Cc1cn[nH]c(=NCC2(c3ccccc3Br)CC2)c1 596146893 TWDDLYMBTWJJDW-UHFFFAOYSA-N 329.201 2.676 30 40 EFEB O=C([C@H](F)C(=O)C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F 627281301 HUVJAWQGDIDMGG-PVQJCKRUSA-N 326.061 2.858 30 40 EFEB Cc1cnc(N(C)[C@@H]2CCCN(Cc3ccc(C#N)cc3F)C2)nc1 1889119556 BTTPEZOWHREIBT-QGZVFWFLSA-N 339.418 2.897 30 40 EFEB C#CCOc1ccc(F)cc1NC(=O)CCCc1nc(CC)no1 72295896 FCAXNYHGYXFQFF-UHFFFAOYSA-N 331.347 2.745 30 40 EFEB CCCC(=O)N1CCCC[C@H]1C(=O)N(C)Cc1cccc(C#N)c1 57462455 WXSMRTTZJLJJLE-KRWDZBQOSA-N 327.428 2.698 30 40 EFEB N#C[C@@H](NC(=O)c1ccc(O)c([N+](=O)[O-])c1)c1ccc(F)cc1F 97112714 PQIMQUONKHEEHG-GFCCVEGCSA-N 333.250 2.573 30 40 EFEB Cc1nnc(NC(=O)CSc2nc(C(C)C)ccc2C#N)s1 4140803 JHBPXDQFPSEUCQ-UHFFFAOYSA-N 333.442 2.967 30 40 EFEB N#C[C@@H](C(=O)OC[C@H]1CCCO1)c1nc2ccccc2nc1Cl 5031688 PZCADNSSDJVFRU-GHMZBOCLSA-N 331.759 2.613 30 40 EFEB O/C(=N\c1nc(-c2cccs2)n[nH]1)c1ccc(-n2ccnn2)cc1 97230084 CQYHWIBDRIUPSI-UHFFFAOYSA-N 337.368 2.750 30 40 EFEB COc1ccc(C(=O)OCC(=O)Nc2ccc(C#N)cc2)c(F)c1 7413863 NTRHTKZENMYZKO-UHFFFAOYSA-N 328.299 2.501 30 40 EFEB Cc1oc(-n2cccc2)c(C#N)c1C(=O)N1CCC[C@H](n2ccnc2)C1 70006299 LWHFWXJHVDIPDR-HNNXBMFYSA-N 349.394 2.924 30 40 EFEB O=C1Nc2ccccc2C1=NNC(F)(F)C(F)(F)C(F)(F)F 409046948 SOCPGVZHOFRQES-UHFFFAOYSA-N 329.175 2.723 30 40 EFEB N#Cc1cc(N)ccc1N1CCN(C(=O)c2ccccc2Cl)CC1 70462114 NXZXCZFDTPTURX-UHFFFAOYSA-N 340.814 2.756 30 40 EFEB COc1ccccc1/C(N)=N/OCC(=O)Nc1ccc(C)c(Cl)c1 39992590 JBPIFHVQAFXGID-UHFFFAOYSA-N 347.802 2.933 30 40 EFEB COC(=O)CCN(C(=O)c1cc(C#N)cs1)c1cccc(F)c1 96460128 ZGDAZBMDBGTLKS-UHFFFAOYSA-N 332.356 2.969 30 40 EFEB N#CCN(Cc1ccccc1)S(=O)(=O)Cc1ccc(Cl)nc1 96427768 WAFXCENOTDZQLC-UHFFFAOYSA-N 335.816 2.591 30 40 EFEB C=CCc1cc(CNC(=O)c2snnc2CC)cc(OC)c1OC 50526822 HEIUHDBSAZHTHK-UHFFFAOYSA-N 347.440 2.776 30 40 EFEB COC(=O)[C@@H](C)[C@H](NC(=O)c1sccc1C#N)c1ccccc1 79634705 HAPJREOZEHEIFA-FZMZJTMJSA-N 328.393 2.900 30 40 EFEB N#Cc1cc(C(F)(F)F)ccc1NC[C@@H]1COC2(CCOCC2)O1 95990662 HYEXAXMWJPJRRE-CYBMUJFWSA-N 342.317 2.911 30 40 EFEB N#Cc1cccc(COC(=O)CNC(=O)c2ccc(Cl)cc2)c1 6099569 KRJSIGZJASJDIF-UHFFFAOYSA-N 328.755 2.685 30 40 EFEB N#Cc1c2n(c(=O)n(Cc3cccc4ccccc34)c1=O)CCCCC2 12759439 XJCAEDGAWRNRBI-UHFFFAOYSA-N 345.402 2.810 30 40 EFEB N#Cc1ccc(N2CCC(C(=O)Oc3cccc4[nH]ncc34)CC2)nc1 58429725 CGVCNGDKVKZXCK-UHFFFAOYSA-N 347.378 2.652 30 40 EFEB COc1ccc(C(=O)N(CCC#N)CCC#N)cc1Br 37978489 KRHMCECRSGEVJE-UHFFFAOYSA-N 336.189 2.727 30 40 EFEB CC(C)OC(=O)[C@@H](C)Sc1nc(-c2ccccc2)c(C#N)c(=O)[nH]1 5238265 YNWLWHVCHIXBGT-LLVKDONJSA-N 343.408 2.741 30 40 EFEB Cc1ccccc1/N=C/[C@H]1C(=O)NC(=O)N(c2ccc(F)cc2)C1=O 4738536 NUJRKDRXOHQGPO-ANKPHQHTSA-N 339.326 2.736 30 40 EFEB COc1ccccc1CN1CCN(C(=O)c2cccc(CC#N)c2)CC1 69451684 ONOWYDLQCFYZEQ-UHFFFAOYSA-N 349.434 2.719 30 40 EFEB CCN/C(O)=N\C(=O)[C@H](C)Sc1nc(NCC)c2ccccc2n1 9690472 YYRSUJQFGBBHLO-JTQLQIEISA-N 347.444 2.592 30 40 EFEB COCCN(Cc1ccc(C)o1)S(=O)(=O)c1cc(C#N)ccc1C 95414124 XNBMUKVFIPZTNX-UHFFFAOYSA-N 348.424 2.605 30 40 EFEB C=CC1CCN(C(=O)c2cccc(-c3nnc(COC)o3)c2)CC1 95988882 CWZBSLHGWCBABB-UHFFFAOYSA-N 327.384 2.921 30 40 EFEB CS[C@@H]1C(C(=O)c2ccccc2)=C(CC(=O)O)C(=O)N1CC(C)C 62716431 KIPJCOMPSBCCDD-GOSISDBHSA-N 347.436 2.828 30 40 EFEB C=CCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1)C(C)=O 223045312 YDLAEWUEKINTAP-FQEVSTJZSA-N 336.435 2.949 30 40 EFEB C=CCOc1c(I)cc(OC)cc1C(=O)O 225280613 URDKFBDFTXRHNJ-UHFFFAOYSA-N 334.109 2.563 30 40 EFEB N#Cc1nc([C@H]2C[C@H]2c2ccccc2)oc1N1CCC(C(N)=O)CC1 96346439 MLHWSXHQUIMNNS-GJZGRUSLSA-N 336.395 2.519 30 40 EFEB COC(=O)c1cccc(NC(=S)N/N=C/c2ccc(F)cc2)c1 136272 YLVRREDXJAZYIJ-VCHYOVAHSA-N 331.372 2.933 30 40 EFEB C/C(=N\NC(=S)Nc1ccc(C(=O)O)cc1C)c1ccccn1 5487103 QJFCXOYGFKTXKJ-YBFXNURJSA-N 328.397 2.799 30 40 EFEB CCN(C[C@@H](C)C#N)S(=O)(=O)c1ccccc1Br 40691212 DYLDVLACKRXSIR-JTQLQIEISA-N 331.235 2.619 30 40 EFEB C=CCN(CC=C)C(=O)COC(=O)[C@@H]1SCCc2ccccc21 76091664 XJIMJXUYAQXEMG-QGZVFWFLSA-N 331.437 2.761 30 40 EFEB COc1ccc(-c2nnc(SCc3ccc(C#N)cc3)n2N)cc1 3406100 AKLSQTNQODZCOS-UHFFFAOYSA-N 337.408 2.831 30 40 EFEB O=C1CS/C(=N/c2ccccc2)N1S(=O)(=O)c1ccccc1 103665060 DAIZRJXBFWFFAK-FOCLMDBBSA-N 332.406 2.638 30 40 EFEB C/N=C(/NC[C@@H]1C[C@H]2CC[C@H]1O2)N1CC[C@H](c2ccccc2C)C1 108355503 VBKPDDFTALUINZ-IMBTUZDBSA-N 327.472 2.927 30 40 EFEB Cc1nc(C#N)c(-n2cc(C(=O)c3cc(Cl)ccc3O)cn2)o1 58163035 ILBYHTYPHOHFAT-UHFFFAOYSA-N 328.715 2.630 30 40 EFEB COC(=O)c1ccc(/C=N/OCc2ccc(C(=O)OC)cc2)cc1 3320834 HGLWXOQCMDPANX-YBFXNURJSA-N 327.336 2.811 30 40 EFEB CCCCN=C(NCCc1ccccn1)NCCc1ccccn1 72283350 YRRJGBNSPMVDGY-UHFFFAOYSA-N 325.460 2.597 30 40 EFEB COc1ccc(OC)c(S(=O)(=O)Nc2ccc(CC#N)cc2)c1 29972274 IQRNMDGMTROBKG-UHFFFAOYSA-N 332.381 2.571 30 40 EFEB N#Cc1ccnc(S[C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)c1 67429402 IZKCTKLAYZNUFM-CQSZACIVSA-N 340.364 2.759 30 40 EFEB Cc1n[nH]c(/N=C(\O)Cc2ccc([N+](=O)[O-])cc2Br)n1 83996385 DHZIJZIEJKDOBK-UHFFFAOYSA-N 340.137 2.615 30 40 EFEB Cc1nc(CN2C(=O)N[C@@](C)(c3cccc(C#N)c3)C2=O)sc1C 88520046 YRPMQSAVEPAEIP-KRWDZBQOSA-N 340.408 2.599 30 40 EFEB Cn1cc(N2CC[C@@H](Nc3ccc(C(F)(F)F)cc3C#N)C2=O)cn1 89755821 QWYPABJDJYJJIG-CQSZACIVSA-N 349.316 2.528 30 40 EFEB C[C@H](C#N)CN(C)C(=O)c1cn(-c2ccc(Br)cc2)cn1 89895829 UJJGHPYNVDVQAB-LLVKDONJSA-N 347.216 2.866 30 40 EFEB C#C[C@H](NC(=O)c1cc(Cl)c2c(c1)OCCCO2)C1CCOCC1 583651616 PLQHANRLPOQDCK-HNNXBMFYSA-N 349.814 2.660 30 40 EFEB Cc1nc(C(=O)NCCCc2nc3ccccc3n2C)ccc1C#N 96411884 AYOSRDOFXUHZEX-UHFFFAOYSA-N 333.395 2.511 30 40 EFEB CCN(CC)/C(N)=N/C[C@H]1CCCN(C)[C@H]1c1ccc(OC)cc1 253370521 RXQYSLUVPJWVFR-AEFFLSMTSA-N 332.492 2.735 30 40 EFEB 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C=CCNc1ccc(C(=O)O)cc1S(=O)(=O)NC1CCCCC1 217447299 VSMYXZZRDKUGDP-UHFFFAOYSA-N 338.429 2.594 30 40 EFEB N#Cc1cccc(N[C@H]2CO[C@@]3(CCCN(Cc4ccoc4)C3)C2)n1 96048306 MLLXNQVDFDOQNK-MJGOQNOKSA-N 338.411 2.782 30 40 EFEB C[C@H]1[C@@H](C(F)(F)F)CCCN1S(=O)(=O)c1ccsc1C#N 593579240 UMUMHTXOGJTYIK-IUCAKERBSA-N 338.376 2.971 30 40 EFEB COc1ccc(C(=O)/C=C2/Nc3ccc([N+](=O)[O-])cc3NC2=O)cc1 13212130 FNKWCLHFEALBOG-OQLLNIDSSA-N 339.307 2.734 30 40 EFEB COc1ccc(/C=N/N2CCN(Cc3ccccc3)CC2)cc1OC 19419378 QQOSESNGQIQTDF-RCCKNPSSSA-N 339.439 2.856 30 40 EFEB CCCCCCC[C@@]1(C)NC(=O)N(CC(=O)NC(C)(C)C)C1=O 101661763 QFIGJXJNHXNSKO-QGZVFWFLSA-N 325.453 2.572 30 40 EFEB N#C[C@H](C(=O)[C@@H]1CCCN(C(=O)Cc2ccccc2)C1)c1ccccn1 41480961 BSLULIUOUVFTDX-MSOLQXFVSA-N 347.418 2.739 30 40 EFEB CC(C)(C)[S@@](=O)CCNc1cc(C#N)c2cc([N+](=O)[O-])ccc2n1 76063137 NLJUAPKYQHHHSE-XMMPIXPASA-N 346.412 2.974 30 40 EFEB CCOc1cc(C#N)ccc1OCC(=O)Nc1ccc(OC)cc1 2798914 FLECARQFKYCYHT-UHFFFAOYSA-N 326.352 2.983 30 40 EFEB COC(=O)c1cc(-c2ccc(/C=N/NC(N)=S)o2)ccc1Cl 6626628 HHMPSWZDAHIMRS-REZTVBANSA-N 337.788 2.554 30 40 EFEB CCN1C(=O)[C@@H](CC(=O)O)S/C1=N/c1cc(Cl)ccc1OC 107037607 ONFZGMYIMNHAQA-KTEBKFLVSA-N 342.804 2.775 30 40 EFEB N#Cc1cccc(C(=O)OCC(=O)NCCc2ccc(Cl)cc2)c1 3509380 PLQKSXVVUXBIHQ-UHFFFAOYSA-N 342.782 2.727 30 40 EFEB N#Cc1ccc(CN2C(=O)N[C@]3(CCCc4sccc43)C2=O)cc1 5680289 VXFCKELLOZSYBC-SFHVURJKSA-N 337.404 2.903 30 40 EFEB C=C(Br)CNC(=O)N1CCO[C@H](c2cccc(F)c2)C1 67066062 QUZJGXJLVVIYLN-ZDUSSCGKSA-N 343.196 2.817 30 40 EFEB C=CCn1c(SCC(=O)NCCCC)nnc1-c1ccncc1 6907673 BRSFMCYVNFCFSM-UHFFFAOYSA-N 331.445 2.535 30 40 EFEB CN(C(=O)c1ccc(I)cc1)C1(C#N)CCC1 67684072 ROMQCQYPKJKHQD-UHFFFAOYSA-N 340.164 2.809 30 40 EFEB Cc1cccc(N=C[C@H]2C(=O)NC(=O)N([C@H]3C[C@H]4CC[C@H]3C4)C2=O)c1 408527374 NKPXGNQJHOPWCJ-SDADXPQNSA-N 339.395 2.581 30 40 EFEB COc1ccc([C@H](C#N)NC(=O)c2cccc(CC#N)c2)c(OC)c1 69582488 RIVTYMSMHUMUND-KRWDZBQOSA-N 335.363 2.765 30 40 EFEB C#CCNC(=O)CNC(=O)Nc1ccc(SC(C)(C)C)cc1C 71854041 XYAVRWQEROPLKM-UHFFFAOYSA-N 333.457 2.757 30 40 EFEB N#CCN1CCC(CNC(=O)[C@@H]2CCCC[C@H]2C(F)(F)F)CC1 89817941 KYVRTKAMWADWMK-ZIAGYGMSSA-N 331.382 2.707 30 40 EFEB CCN1C(=O)C(CC(=O)O)=C(C(=O)c2ccc(C)cc2)[C@@H]1SC 62716308 FSQYRUFKUFORAF-KRWDZBQOSA-N 333.409 2.500 30 40 EFEB CC1=CC(=O)C[C@H]2[C@]1(O)CC[C@H](C)[C@]21C[C@H](c2ccoc2)OC1=O 37538983 DLHZVTVUHATYAU-XLQOQZPVSA-N 330.380 2.950 30 40 EFEB biogenic,in-vitro CC(C)(C)NC(=O)N1CCC(CNC(=O)c2cccc(C#N)c2)CC1 43978192 ROVHXMWVJNSTGK-UHFFFAOYSA-N 342.443 2.508 30 40 EFEB N#Cc1ccc(N2C[C@@]3(CCN(Cc4ccncc4)C3)CC2=O)cc1 96238841 LQDOHPDOPCKZQT-FQEVSTJZSA-N 332.407 2.582 30 40 EFEB Cc1nc(-c2cccc(C(=O)N[C@@H](C#N)c3ccccc3F)c2)n[nH]1 81659108 NIGHWQBBLURKAF-INIZCTEOSA-N 335.342 2.914 30 40 EFEB Cc1cc(C)c(NC(=O)CSc2ncc(C#N)c(N)n2)c(C)c1 7045666 CYVXJVRTVIOWAW-UHFFFAOYSA-N 327.413 2.587 30 40 EFEB CC(C)CCC[C@H](C)NC(=O)CSc1nc(N)c(C#N)cc1C#N 23584696 NJZMXGDPGSAEDX-LBPRGKRZSA-N 345.472 2.830 30 40 EFEB CCN1CCC[C@@H]1[C@H]1CCCN1C(=O)COc1ccc(CC#N)cc1 106662053 QLCWNFNSHCZHPZ-RTBURBONSA-N 341.455 2.607 30 40 EFEB C[C@H]1CN(C(=O)C2CCN(c3ccc(C#N)cc3F)CC2)C[C@@H](C)O1 58331893 LAZJFAUHCPDXLG-OKILXGFUSA-N 345.418 2.550 30 40 EFEB CCOc1ccccc1N1C[C@@H](C(=O)Nc2ccc(C#N)cc2)CC1=O 3359472 VDUKKHUOJRNTPU-HNNXBMFYSA-N 349.390 2.949 30 40 EFEB N#CCc1ccc(NC(=O)c2ccc(CN3C(=O)CCC3=O)cc2)cc1 12747628 CYHJJFMKPVDDKG-UHFFFAOYSA-N 347.374 2.654 30 40 EFEB C=C(C)CN1CCC(NC(=O)N[C@H]2CCO[C@@H]2c2ccccc2)CC1 96446994 HPFBMPIYQMPANV-RBUKOAKNSA-N 343.471 2.856 30 40 EFEB Cc1nc2n(n1)C[C@H](Nc1ccc(Br)cc1C#N)CC2 96008446 PYEUBUNDCOWMBR-GFCCVEGCSA-N 332.205 2.648 30 40 EFEB C/N=C1/S/C(=C/c2cccn2-c2ccc([N+](=O)[O-])cc2)C(=O)N1C 408929800 OGVNYZMEYVOHKM-ZSSTZYNTSA-N 342.380 2.917 30 40 EFEB CCN(CC)c1ccc(C=Nn2c(O)nc3ccccc3c2=O)cc1 409354780 AXEWWOFTFXRYQM-UHFFFAOYSA-N 336.395 2.831 30 40 EFEB N#Cc1cc(NC2CCN(C(=O)c3ccco3)CC2)ccc1[N+](=O)[O-] 97144384 RLURVEWJXSHQEE-UHFFFAOYSA-N 340.339 2.776 30 40 EFEB N#Cc1cccc(NC(=O)NCC[S@@](=O)c2ccccc2F)c1 77507590 XHWBIYPHGKLLHH-QHCPKHFHSA-N 331.372 2.627 30 40 EFEB Cc1ccc(S(=O)(=O)[C@H]2[C@H](c3ccc(F)cc3)[C@]2(C#N)C=O)cc1 218560676 GNCCHFLGTJKCIP-BZSNNMDCSA-N 343.379 2.783 30 40 EFEB CCN1CCN(C[C@@H](C)CN/C(=N/C(C)C)c2cccs2)CC1 71843656 BLNNHWFEPWLRFH-INIZCTEOSA-N 336.549 2.766 30 40 EFEB CSC[C@H]1CCCN1S(=O)(=O)c1ccc(C#N)cc1Cl 96002010 HVPNILGZIMNUAR-LLVKDONJSA-N 330.862 2.728 30 40 EFEB Cc1cc(C)n2nc(SCCOc3ccc(C#N)cc3)nc2n1 8621865 VDTVVYUNAIWSMI-UHFFFAOYSA-N 325.397 2.784 30 40 EFEB CC(=O)N1CC=C(c2ccc(B3OC(C)(C)C(C)(C)O3)cc2)CC1 1848351082 CZSUDJNSVUFSRL-UHFFFAOYSA-N 327.233 2.621 30 40 EFEB N#Cc1ccc(CCC(=O)NCc2ccc(-n3cccn3)cc2)cc1 40106978 OOLTXSFIIXZQCS-UHFFFAOYSA-N 330.391 2.993 30 40 EFEB CC(=N/N=C/c1cccc(/C=N/N=C(C)\C(C)=N\O)c1)/C(C)=N/O 1066329 LIKALAHRRBTCMO-JRQPZPKOSA-N 328.376 2.976 30 40 EFEB C=CCSc1nnc(-c2cccn(Cc3ccccc3)c2=O)n1C 3063627 KSUVOYNJFQIGQM-UHFFFAOYSA-N 338.436 2.970 30 40 EFEB CN(Cc1cccc(C#N)c1)C(=O)c1ccc(C(F)(F)F)nc1O 25104186 YUYGVMQPDOOLRQ-UHFFFAOYSA-N 335.285 2.950 30 40 EFEB CCCCCCCCCn1c(NCC)nc2c1c(=O)[nH]c(=O)n2C 2267977 HGHWDVPURGFURF-UHFFFAOYSA-N 335.452 2.606 30 40 EFEB CCOc1ccccc1OC/C(O)=N/S(=O)(=O)c1cccs1 48427212 VFXCAEAHKBNHEB-UHFFFAOYSA-N 341.410 2.871 30 40 EFEB CCCCCCCCSc1nc2c(c(=O)[nH]c(=O)n2C)n1CC 8426336 GRAYDIKDHJJGJP-UHFFFAOYSA-N 338.477 2.896 30 40 EFEB C#CCOc1ccc(N(C)C(=O)c2nnc3ccccc3c2O)cc1 96411233 VSQJWVUXEVAEHX-UHFFFAOYSA-N 333.347 2.624 30 40 EFEB C[C@@H]1CN([C@@H](CNc2ncccc2C#N)c2cccs2)CCO1 75584732 RWMPPLBWDZDRRA-HIFRSBDPSA-N 328.441 2.889 30 40 EFEB C#CCOc1cc(-n2nc3n(c2=O)CCCC3)c(Cl)cc1Cl 1532045 XOEMATDHVZOBSG-UHFFFAOYSA-N 338.194 2.689 30 40 EFEB biogenic,in-vitro C/C=C1\C[N@+]2(CC)CC[C@]34c5cccc(O)c5N[C@@H]3[C@@H](C=O)[C@H]1C[C@H]42 254624443 HCWGCPNDPRYCOT-FFCHUXTBSA-O 339.459 2.828 30 40 EFEB biogenic,in-vitro COC(=O)COc1ccc(/C=N/NC(=S)Nc2ccccc2)cc1 1093443 DSNNELBBQLGFCX-WOJGMQOQSA-N 343.408 2.559 30 40 EFEB C=CCCC(=O)N1C[C@@H]2CN(c3ccc(C(C)(C)C)nn3)C[C@H]2C1 1888853139 ZFLGQEIEJIAJCC-GJZGRUSLSA-N 328.460 2.635 30 40 EFEB C[C@H](Oc1ccccc1F)c1ccnc2nc(/N=C/N(C)C)nn12 100912198 QMRAMGREYWZEKN-VSMYLPJWSA-N 328.351 2.625 30 40 EFEB COc1cc(OC)cc(N2CC[C@@H](NCc3cccc(C#N)c3)C2)c1 78996592 NWHHTJIFOVXOED-QGZVFWFLSA-N 337.423 2.944 30 40 EFEB C[C@@H](CC#N)N1CCN([C@@H](C)c2nc(-c3ccccc3)no2)CC1 53609609 XSPTZRANVNTSAH-GJZGRUSLSA-N 325.416 2.717 30 40 EFEB C=CCOc1ccccc1CNCc1ccc(OCC(=O)NC)cc1 48782004 IUDKYBFNQRTXFP-UHFFFAOYSA-N 340.423 2.666 30 40 EFEB N#Cc1ccsc1NC(=O)COC(=O)c1cccc(Cl)c1N 8328756 IBMVCHSKLRIHCB-UHFFFAOYSA-N 335.772 2.651 30 40 EFEB Cc1cc(N2C(=O)C(O)=C(C(=O)c3ccco3)[C@@H]2c2ccco2)no1 9360266 XOAVDHQXQQJBQY-AWEZNQCLSA-N 340.291 2.952 30 40 EFEB CN(CCCO)C1CCN(c2cc(C#N)ccc2C(F)(F)F)CC1 97096993 UBJGQBVZTFAGFB-UHFFFAOYSA-N 341.377 2.860 30 40 EFEB COc1ccc(C)cc1C1(CN=C(N(C)C)N(C)C)CCOCC1 225547439 PCYOJIJGXWINLB-UHFFFAOYSA-N 333.476 2.531 30 40 EFEB N#Cc1ccc(NC(=O)N2CCC[C@H](CO)C2)cc1C(F)(F)F 96435473 KUZUMRGTZVBKMK-JTQLQIEISA-N 327.306 2.813 30 40 EFEB C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N1CCO[C@@H](Cc2ccccc2)C1 280609835 AEBBKTCEMQIFLK-FHWLQOOXSA-N 344.455 2.621 30 40 EFEB CN1C(=O)[C@@](O)(CC(=O)/C=C/c2ccco2)c2cc(Cl)ccc21 4555365 QEWPWCHTXISFRR-FUTAKVPZSA-N 331.755 2.770 30 40 EFEB COc1cc(C(=O)O)ccc1O[C@H](C)C(=O)NC1(C#N)CCCCC1 13420041 GTIVXDXTQIXCFI-GFCCVEGCSA-N 346.383 2.503 30 40 EFEB COc1cccc([C@H]2Nc3nonc3NC3=C2C(=O)CCC3)c1OC 12388835 CMCLCHGFFDMQDM-CQSZACIVSA-N 342.355 2.673 30 40 EFEB COc1ccc([C@H]2C(C(C)=O)=C(O)CC(C#N)(C#N)C2(C#N)C#N)cc1 269022 HBILGTOVZBBQTI-KRWDZBQOSA-N 346.346 2.651 30 40 EFEB CCCCCCC[C@]1(C)NC(=O)N(CC(=O)N[C@H](C)C(C)C)C1=O 101661692 SCALZLQFNCALTE-KDOFPFPSSA-N 339.480 2.818 30 40 EFEB CCc1nc(C#N)c(NC[C@H](c2ccc(C)cc2)N2CCOCC2)o1 27750058 VHMGHNJMMFYSLE-QGZVFWFLSA-N 340.427 2.903 30 40 EFEB CN(Cc1ccccc1N1CCOCC1)C(=O)c1ccc(C#N)cc1 10900724 XHUDRSHFQKNNBN-UHFFFAOYSA-N 335.407 2.667 30 40 EFEB COCCN(CCOC)c1cc(C)c(C#N)c2nc3ccccc3n12 4038285 UKYWOZAJYILAQQ-UHFFFAOYSA-N 338.411 2.767 30 40 EFEB Cn1c(SCCOc2ccc(C#N)cc2)nnc1-c1ccncc1 14136396 KVWTXMDFCKNVGS-UHFFFAOYSA-N 337.408 2.920 30 40 EFEB Cc1nnc(C)n1/N=C/c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 5889386 PLJWUFHSZCZKHU-GZTJUZNOSA-N 328.376 2.676 30 40 EFEB Cc1ccoc1C(=O)NC1CCN(c2ccc(Cl)c(C#N)n2)CC1 67370687 CTILFNIRABYVQD-UHFFFAOYSA-N 344.802 2.907 30 40 EFEB C#CCOc1ccc(N(C)C(=O)c2ccc3c(c2)CCN3C(C)=O)cc1 69662908 UKGIYXSWUCPENJ-UHFFFAOYSA-N 348.402 2.884 30 40 EFEB C#Cc1cccc(NC(=O)N[C@H](CS(C)(=O)=O)c2ccccc2)c1 89484174 HEHNCCXCIOEXMD-QGZVFWFLSA-N 342.420 2.575 30 40 EFEB C/C(O)=N/c1nc(S(=O)(=O)Cc2cccc3ccccc23)n[nH]1 95116162 YJWDNNWTTAIBSJ-UHFFFAOYSA-N 330.369 2.540 30 40 EFEB C=CCNc1nnc(SCC(=O)N2C[C@H](C)C[C@@H](C)C2)s1 5785069 ZKPJFSHKZUNGGS-GHMZBOCLSA-N 326.491 2.733 30 40 EFEB Cc1ccsc1[C@@H]1C2=C(CC(C)(C)CC2=O)Nc2nc(N)nn21 18199816 WAYKDHSBCKCQRJ-LBPRGKRZSA-N 329.429 2.888 30 40 EFEB CCOc1ccc(/C=N/N(C)C2=NS(=O)(=O)c3ccccc32)cc1 84622 ZBVJTOVQCLIAMX-LDADJPATSA-N 343.408 2.500 30 40 EFEB N#Cc1ccc(Cl)cc1S(=O)(=O)N1CCOc2ccccc21 32817711 RFYVRCRESBDXCI-UHFFFAOYSA-N 334.784 2.799 30 40 EFEB O=C1O[C@H](c2ccc([N+](=O)[O-])cc2)/C(=C(\O)c2ccccc2)C1=O 102559133 NWTRBDPSOMESQW-OMACXJQVSA-N 325.276 2.731 30 40 EFEB C[C@@H](NC(=O)c1sc2nc(N)c(C#N)cc2c1N)c1ccccc1 32929456 GTVPTDHGQOFTKO-SECBINFHSA-N 337.408 2.823 30 40 EFEB Cc1nn(CCCC(=O)Nc2ccc(CC#N)cc2)c(C)c1[N+](=O)[O-] 1430652 NCPZPCWPTHRHBI-UHFFFAOYSA-N 341.371 2.893 30 40 EFEB Cc1nnc(N2CCC(CNC(=O)OC(C)(C)C)CC2)c(C#N)c1C 58294621 BAZXXEGWPGBSSF-UHFFFAOYSA-N 345.447 2.706 30 40 EFEB Cc1ccc(O)c(C(=O)c2cc(C#N)c(=O)n(-c3ccccc3)c2)c1 3373548 NSIOCDYSQPHAEW-UHFFFAOYSA-N 330.343 2.954 30 40 EFEB COc1ccc(/C=[N+](\[O-])[C@@H]2N(C)C(=S)SC2(C)C)cc1OC 4785784 UUCHRGQESIXBCZ-OLWAXZHHSA-N 340.470 2.701 30 40 EFEB COCc1cccc(CNC(=O)CNc2ccc(F)c(C#N)c2)c1 95417984 RDQMEHYLWLWRNH-UHFFFAOYSA-N 327.359 2.572 30 40 EFEB C=CCOc1cc(OC)ccc1C(=O)N1CCC[C@H](N2CCCC2)C1 95944517 JMZQRYINSOBJEK-INIZCTEOSA-N 344.455 2.960 30 40 EFEB NC(=O)COc1ccc(/C=N/c2cc(C(=O)O)ccc2Cl)cc1 408966308 ZMGVFDJHFOFUPQ-UFWORHAWSA-N 332.743 2.653 30 40 EFEB N#C[C@H]1C(=O)N=C2Nc3ccccc3N2[C@H]1c1ccc([N+](=O)[O-])cc1 20637441 RFWWCRPFAIBCCN-DOMZBBRYSA-N 333.307 2.604 30 40 EFEB Cc1ccc(S(=O)(=O)[C@@H]2[C@H](c3ccccc3)[C@]2(C#N)C=O)cc1 218043429 BZJSWOFGLCEHBZ-KSZLIROESA-N 325.389 2.644 30 40 EFEB COc1ccccc1-c1n[nH]c(/N=C(\O)Cc2c(C)noc2C)n1 36752437 WAOGUWGEOCJTRV-UHFFFAOYSA-N 327.344 2.916 30 40 EFEB CCn1nc(C)c(CNC(=O)NCc2ccc(C#N)cc2F)c1C 78555864 QJWBMYDQRKJPFE-UHFFFAOYSA-N 329.379 2.530 30 40 EFEB C#Cc1cccc(NC(=O)C(=O)NCc2oc3ccccc3c2C)c1 96407038 WQHHAGDPCOZESS-UHFFFAOYSA-N 332.359 2.977 30 40 EFEB N#Cc1cccc(CNC(=O)N2CCO[C@H](Cc3ccccc3)C2)c1 96493981 NRNFBPUXRHBEIH-LJQANCHMSA-N 335.407 2.711 30 40 EFEB N#Cc1ccc(-c2[nH]c(=O)nc(N)c2C(=S)Nc2ccccc2)cc1 95619080 UAAWMNJLZFSSDK-UHFFFAOYSA-N 347.403 2.678 30 40 EFEB C=CC[C@@H]1N(c2ccc(Cl)cc2)C(=O)[C@H]2[C@H](C(=O)O)[C@H]3C=C[C@]21O3 95495820 WGDQBYXYDMCISA-KQVLKZGSSA-N 345.782 2.656 30 40 EFEB N#Cc1ccccc1NC(=O)CSc1nnc(-c2cccnc2)o1 5213969 WKUJXWAUPSHWDF-UHFFFAOYSA-N 337.364 2.734 30 40 EFEB CC[C@H](C)NC(=O)CO/N=C/c1ccc(OC(F)F)c(OC)c1 12619852 GXOROWBNXRETCS-WBFHQNOSSA-N 330.331 2.562 30 40 EFEB Cc1ccc(CO/N=C/[C@@H]([N+](=O)[O-])S(=O)(=O)c2ccccc2)cc1 5338956 ABPPPDHAJJMTAM-KTZOAPACSA-N 348.380 2.574 30 40 EFEB COc1ccc2c(c1)O/C(=C\c1cccc(OS(C)(=O)=O)c1)C2=O 4478776 WMCOATQWOOOKBW-SXGWCWSVSA-N 346.360 2.650 30 40 EFEB CC/N=C(\NCc1ccnc(C)n1)NCc1ccc(C)cc1OCC 157665060 TVNLYIDIPMTFQA-UHFFFAOYSA-N 341.459 2.747 30 40 EFEB C=CCNC(=O)c1ccc(OCC(=O)N2[C@@H](C)CCC[C@H]2C)cc1 15508822 FAOJWYPQTULUMG-GASCZTMLSA-N 330.428 2.771 30 40 EFEB CS(=O)(=O)c1ccc(NC(=O)c2cccc(Cl)c2)cc1C#N 1404343 DEWOBHONDGYQTI-UHFFFAOYSA-N 334.784 2.867 30 40 EFEB C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](CN4CCN(CC)CC4)[C@H]3C[C@H]12 20112145 IRYDAUQTHJLBSW-TWHPPBISSA-N 346.515 2.938 30 40 EFEB biogenic N#CCc1ccc(OC[C@H](O)CN2CCc3sccc3C2)cc1 48235794 UGNYENZRJJYLRG-MRXNPFEDSA-N 328.437 2.612 30 40 EFEB C=CCOC(=O)c1nnc2c(-c3ccc(F)cc3)c(C)nn2c1C 20633604 VONOTLMEHWMVQQ-UHFFFAOYSA-N 326.331 2.890 30 40 EFEB CC[C@@H](Sc1nc(N)c(C#N)cc1C#N)C(=O)Nc1ccccc1 14199439 UHNWZDOJKYROGJ-CQSZACIVSA-N 337.408 2.917 30 40 EFEB CCOc1ccc(/C(CCC(=O)O)=N/N=C(\S)NC(C)C)cc1 6538175 DNKKJPBIJOMORK-NBVRZTHBSA-N 337.445 2.938 30 40 EFEB O=S1(=O)N=C(N/N=C/c2cccc3ccccc23)c2ccccc21 4690998 XGQZNTLXOMDFBA-XDHOZWIPSA-N 335.388 2.912 30 40 EFEB Cc1nnc2ccc(N/N=C/c3c(F)c(F)c(F)c(F)c3F)nn12 4772729 LNEYZSWDSMMUNX-RMOCHZDMSA-N 342.231 2.574 30 40 EFEB C[C@@H](OC(=O)c1cccc([N+](=O)[O-])c1)C(=O)Nc1ccccc1C#N 5673798 XYXMPADDMPUKNU-LLVKDONJSA-N 339.307 2.650 30 40 EFEB Cc1ccc(C(C)(C)CNC(=O)C(=O)Nc2ccc(C#N)cc2)cc1 71799742 SUHXFNGELXFTHX-UHFFFAOYSA-N 335.407 2.899 30 40 EFEB C#Cc1cccc(N(Cc2ccco2)C(=O)C(=O)c2cnn(CC)c2)c1 95442857 NKMUGIWCUFIKPV-UHFFFAOYSA-N 347.374 2.893 30 40 EFEB O=[N+]([O-])c1cccc(/C=N\Nc2nnc3c(n2)[nH]c2ccccc23)c1O 36143324 NGQOOZFSDQRCBC-IUXPMGMMSA-N 349.310 2.566 30 40 EFEB COC(=O)[C@H](NCc1cccc(-n2cccn2)c1)c1cccc(C#N)c1 83048761 ABYBVGWSXNZTSN-LJQANCHMSA-N 346.390 2.748 30 40 EFEB CC(C)Cn1ncc(/C(O)=N/S(=O)(=O)C2CCCC2)c1C1CC1 91868149 IGGBRIYUYGHQBY-UHFFFAOYSA-N 339.461 2.994 30 40 EFEB CCOc1cc(C#N)ccc1OCC(=O)N1CCO[C@@H]2CCCC[C@H]21 46494670 JNSDCFOOAMODET-HZPDHXFCSA-N 344.411 2.506 30 40 EFEB CS(=O)(=O)/N=C(O)/C=C/c1ccc(OCc2ccccn2)cc1 48487479 YEFYKRKFLHOTFQ-JXMROGBWSA-N 332.381 2.590 30 40 EFEB C[C@@H](NC(=O)C1(C#N)CCC1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 95398768 MXDUXAJZYGFETL-KGLIPLIRSA-N 335.448 2.832 30 40 EFEB c1ccc(CO[C@H]2O[C@@H]3CO[C@H](c4ccccc4)O[C@H]3[C@@H]3O[C@H]23)cc1 5872773 AOZVSPOPQDFUMI-MILMJNAHSA-N 340.375 2.810 30 40 EFEB C/N=C(/NCc1nccs1)N1CCO[C@H](c2ccccc2C)C1 161725074 YACHFOZLGPNTAL-HNNXBMFYSA-N 330.457 2.600 30 40 EFEB CCNC(=S)N/N=C/c1ccc(-c2ccc(C(=O)OC)cc2C)o1 6205756 FGRQORICJMYKFM-VXLYETTFSA-N 345.424 2.860 30 40 EFEB CC(C)(C)c1ccc(N2C[C@H]3CN(c4ccc(C#N)nc4)C[C@@H]3C2)nn1 1888857100 MAFDIRCBNDDBIC-HUUCEWRRSA-N 348.454 2.613 30 40 EFEB Cc1ccc(C(=O)OCC(=O)Nc2ccccc2SCC#N)o1 21177912 TYCJDNKRDRPDES-UHFFFAOYSA-N 330.365 2.999 30 40 EFEB COc1ccc(S(=O)(=O)N=C2C=C(Cl)C(=O)C(Cl)=C2)cc1 515297 UCGGFEQMRSKTFP-UHFFFAOYSA-N 346.191 2.653 30 40 EFEB N#C[C@H](c1c(F)cccc1Cl)N1CCN(c2cnccn2)CC1 96443268 ZVXGHOKZCKEYCN-CQSZACIVSA-N 331.782 2.656 30 40 EFEB CN(C)/C=N/C(=O)c1cnn(-c2ncc(C(F)(F)F)cc2Cl)c1 100256350 MDZSZKUCSNPRCS-FBCYGCLPSA-N 345.712 2.670 30 40 EFEB C=C(C)C[C@H]1N(c2ccccc2F)C(=O)[C@H]2[C@H](C(=O)O)[C@H]3C=C[C@]21O3 2369081 VSBXQTUZEZYYDS-DINLJIAVSA-N 343.354 2.532 30 40 EFEB CCOc1ccc(C#N)cc1NCC(=O)NC(=O)Nc1ccccc1 58218932 VRAIFTVVIJNJCW-UHFFFAOYSA-N 338.367 2.717 30 40 EFEB Cc1cc(Cl)c(C(=O)N(C)CCCc2n[nH]c(N)c2C#N)cc1C 97237537 PPECCEBTKFJVFO-UHFFFAOYSA-N 345.834 2.839 30 40 EFEB COc1ccc([C@@]2(C)NC(=O)N(Cc3ccccc3C#N)C2=O)cc1 7277056 NHZIHDUPHCWJIB-LJQANCHMSA-N 335.363 2.534 30 40 EFEB C[C@H](C1CC1)N(CCC#N)CC(=O)Nc1ccc2c(c1)OCCCO2 69592889 PIRYSUBUICEBKT-CQSZACIVSA-N 343.427 2.801 30 40 EFEB N#CCCn1ccc(NC(=O)[C@H](O)c2cc(Cl)cc(Cl)c2)n1 95450472 LDLSTBAEKWNGPL-CYBMUJFWSA-N 339.182 2.776 30 40 EFEB COc1ccc2c(c1)C=C(C(=O)N[C@@H](C#N)c1ccccc1F)CO2 87279530 FOUKVLVZHXAJOF-KRWDZBQOSA-N 338.338 2.991 30 40 EFEB Cc1c(C(=O)N[C@H](C#N)C2CC2)cc(Br)cc1[N+](=O)[O-] 97094612 DIOOTLLTHDGIEW-LLVKDONJSA-N 338.161 2.698 30 40 EFEB C#CCN(Cc1cccc(C)n1)C(=O)[C@@H](C)Sc1ccccn1 84980464 ZFUIMZYTWHKGBP-OAHLLOKOSA-N 325.437 2.928 30 40 EFEB COC(=O)c1ccc(Cn2cc(/C=N/n3cnnc3)c3ccccc32)o1 409394402 ZZRGYDDKQWZUNT-ODCIPOBUSA-N 349.350 2.543 30 40 EFEB C=CCOc1ccc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])cc1 408618575 KZVLWELABOQUPI-UHFFFAOYSA-N 334.353 2.960 30 40 EFEB C=CCN1CCN[C@H](Cc2ccc(-c3cccc(OC)c3)cc2)C1=O 72352849 OPATZDLPQRVXHB-HXUWFJFHSA-N 336.435 2.891 30 40 EFEB N#CCc1ccc(S(=O)(=O)N[C@@H]2CCCOc3ccccc32)cc1 80735571 WMZHASZEJLKLEE-QGZVFWFLSA-N 342.420 2.945 30 40 EFEB CO[C@H](C)CCOC(C)(C)COS(=O)(=O)c1ccc(C)cc1 255187168 BQWDGVGZKSUAIT-CQSZACIVSA-N 330.446 2.921 30 40 EFEB Cc1cc(Br)ccc1S(=O)(=O)N(C)[C@@H](C)CC#N 133313017 MZSJFAVXXGMBIT-JTQLQIEISA-N 331.235 2.680 30 40 EFEB N#Cc1cc(N2CCC(N3CCC[C@H]3CO)CC2)nc2ccccc12 1776001220 GBXPIAQLHVHOCD-KRWDZBQOSA-N 336.439 2.532 30 40 EFEB COc1ccc(CNC(=O)[C@H](C)Oc2ccc(C#N)cc2)cc1OC 15682903 JFFHJJROISTATK-ZDUSSCGKSA-N 340.379 2.659 30 40 EFEB Cc1csc(C(=O)N[C@H]2CC[C@H](Oc3nccnc3C#N)CC2)c1 245131272 VLXQNHKQYJYHJB-JOCQHMNTSA-N 342.424 2.838 30 40 EFEB COC1(OC)C(C)(C)O[C@H]2c3ccccc3C(=O)C[C@@H]2C1(C#N)C#N 340778 SJKGSAXGRXXHNI-HOCLYGCPSA-N 340.379 2.762 30 40 EFEB COCc1cccc(C(=O)[C@H](C#N)C(=O)NCc2ccc(C)cc2)c1 101162187 KIPZJJQSAIRTHY-SFHVURJKSA-N 336.391 2.780 30 40 EFEB C=CCN1C(=O)N=C(O)/C(=C/Nc2ccc(N(CC)CC)cc2)C1=O 102541910 KBAMZXYDOOJVHU-QINSGFPZSA-N 342.399 2.933 30 40 EFEB CC(=O)Nc1ccc(/C=N/OCC(=O)Nc2ccc(C)cc2)cc1 2655319 LYBIBLCPCNBJQQ-YBFXNURJSA-N 325.368 2.943 30 40 EFEB N#C[C@@H](C(=O)Nc1ccccn1)C(=O)c1cc(-c2cccs2)on1 103717514 RKQDILMCQPLIIM-SNVBAGLBSA-N 338.348 2.759 30 40 EFEB N#CCNC(=O)c1cc2nc(-c3ccccc3)cc(C(F)(F)F)n2n1 2807320 SSVKMRUXGWFZMY-UHFFFAOYSA-N 345.284 2.668 30 40 EFEB Cn1ccnc1COc1ccc(C(=O)/C=C/c2csnn2)cc1 54806465 DCFUXFSFISBECG-QPJJXVBHSA-N 326.381 2.747 30 40 EFEB N/C(=N/OCC(=O)N1CCc2ccccc21)c1ccc(Cl)cc1 29465146 RDEIRWKCVBLEDL-UHFFFAOYSA-N 329.787 2.566 30 40 EFEB CCc1nn(C[C@@H](O)c2ccc(Cl)cc2)c(=O)c(C#N)c1CC 69771620 VBKMHIBPSADRBP-MRXNPFEDSA-N 331.803 2.627 30 40 EFEB CC(C)[C@@](C)(C#N)NC(=O)CN1C[C@@H](C)OC[C@@H]1c1ccccc1 107584917 ONPXNBAETIIPDJ-SZVBFZGTSA-N 329.444 2.503 30 40 EFEB N#Cc1ccc(NC(=O)[C@@H]2CCCN(CC(F)(F)F)C2)cc1C#N 91901222 STPLPBJYMGQZTD-GFCCVEGCSA-N 336.317 2.643 30 40 EFEB C/N=C1/S[C@@H](CC(=O)Nc2cc(Cl)cc(Cl)c2)C(=O)N1C 102958554 QIZMBWYHLFUBCH-CDSOTZFASA-N 346.239 2.882 30 40 EFEB N#Cc1cccc(OCc2nnnn2-c2ccc(OC(F)F)cc2)c1 58160351 QQDQXMMMOWWKRN-UHFFFAOYSA-N 343.293 2.714 30 40 EFEB CN(Cc1ccc(-c2ccccc2C#N)cc1)[C@H]1CCS(=O)(=O)C1 12988185 SVLIHUSIEUGKAW-SFHVURJKSA-N 340.448 2.844 30 40 EFEB Cc1nn(Cc2nc(-c3ccc(C(C)C)cc3)no2)c(=O)c(C#N)c1C 7385262 ZPPHWFPDLXSVCJ-UHFFFAOYSA-N 349.394 2.954 30 40 EFEB CCc1ccc(C/C(O)=N/S(=O)(=O)c2cn(CC)c(C)n2)cc1 97141053 UWUCWAMCSBJEDV-UHFFFAOYSA-N 335.429 2.662 30 40 EFEB N#CCC(=O)N1CCC[C@H]1c1ccc(I)cc1 97097315 MDAGSHCZQLVUTJ-LBPRGKRZSA-N 340.164 2.868 30 40 EFEB CC(C)C#C[C@](O)(C(=O)O[C@H]1C2CCN(CC2)[C@@H]1C)C1CCCCC1 5954668 QAPPZPYLSRRINH-OZOXKJRCSA-N 347.499 2.983 30 40 EFEB COc1cccc(/C=N/c2cnn(C)c2C(=O)NCc2ccco2)c1 2798342 PLHGDSKCLIELPP-VXLYETTFSA-N 338.367 2.702 30 40 EFEB CCOC(=O)N1CCc2c(sc(NC(=O)c3ccco3)c2C#N)C1 4281012 AIMRPIFCDXHXAF-UHFFFAOYSA-N 345.380 2.980 30 40 EFEB COc1cc2c(cc1NC(=O)Cn1cnc(C#N)n1)oc1ccccc12 12791885 XKXVGJRYHZACPR-UHFFFAOYSA-N 347.334 2.696 30 40 EFEB N#Cc1cccc(N[C@H]2CO[C@]3(CCCN(Cc4ccccn4)C3)C2)n1 107730725 LQDCYOSCNOXXFJ-UYAOXDASSA-N 349.438 2.584 30 40 EFEB C=CCN(C(=O)Cc1cccc2ccccc12)[C@@H]1CCS(=O)(=O)C1 58393770 UFJGGAVWNHOYQA-QGZVFWFLSA-N 343.448 2.584 30 40 EFEB COC(=O)[C@@H](Nc1ccc2c(c1)CCC(=O)N2C)c1cccc(C#N)c1 83031329 ZUFAFTKURAEFLC-IBGZPJMESA-N 349.390 2.793 30 40 EFEB C=CCN1C(=O)c2ccc(C(=O)Nc3ccc(C)cc3O)cc2C1=O 8241654 GEZKSGVMANFFTQ-UHFFFAOYSA-N 336.347 2.735 30 40 EFEB C/N=C(\NCc1cn2ccsc2n1)N[C@@H](C)c1ccccc1OC 95959588 RAOSMYMKWZASQE-LBPRGKRZSA-N 343.456 2.831 30 40 EFEB O=S(=O)(/N=C(\O)Cc1cccnc1)c1ccccc1C(F)(F)F 76765425 PBNDRHFZNJQWEO-UHFFFAOYSA-N 344.314 2.988 30 40 EFEB C=CCN1CCC[C@]12CCCN(S(=O)(=O)c1cccs1)C2 96214804 HXRVREXFXXWCGE-OAHLLOKOSA-N 326.487 2.553 30 40 EFEB CCN(C(=O)[C@@H]1Cc2ccccc2O[C@H]1C(F)(F)F)[C@@H](C)C#N 602358870 YDNZEEFMMDXXED-ZKYQVNSYSA-N 326.318 2.929 30 40 EFEB CCc1nc(C#N)cc(N[C@@H](c2cccc(OC)c2)c2nccn2C)n1 585141511 AWVSGAREFZJBKA-SFHVURJKSA-N 348.410 2.854 30 40 EFEB C=CCOc1cccc(/C=C2/SC(=O)N(CC(=O)OCC)C2=O)c1 205669006 IIXXUSSJOQZVJC-GXDHUFHOSA-N 347.392 2.851 30 40 EFEB Cc1ccc(C)n1-c1ccc(C(=O)OCC(=O)N(C)CCC#N)cc1 3377905 KEJGOLQRZWCSDS-UHFFFAOYSA-N 339.395 2.623 30 40 EFEB Cc1cccc2c(=O)n(CCC(=O)Nc3sccc3C#N)cnc12 16445346 QMHYOBVKGVVFGX-UHFFFAOYSA-N 338.392 2.667 30 40 EFEB Cc1ccc(CN2CCN(/N=C/c3ccc(O)cc3O)CC2)cc1 20101233 WVKMBJILQDSTRG-DEDYPNTBSA-N 325.412 2.558 30 40 EFEB CC(C)[C@H](C#N)N1CCN(C(=O)C/C=C/c2cccc(F)c2)CC1 79018266 RWODGZMJQJAWSP-JXTAAOLFSA-N 329.419 2.921 30 40 EFEB CC(=O)Nc1cccc2c1CCN(c1ccc([N+](=O)[O-])cc1C#N)C2 54125384 QXPAVPVWOUGSTP-UHFFFAOYSA-N 336.351 2.988 30 40 EFEB Cc1c(C#N)c(NC(=O)CN2CCO[C@H](C)C2)n(C2CCCC2)c1C 24114684 DLKKAVGTYSLHCU-CYBMUJFWSA-N 344.459 2.751 30 40 EFEB N#Cc1cccc(C(=O)NCc2cccnc2OCC(F)(F)F)c1 36391073 XDCXKAAGQRISMQ-UHFFFAOYSA-N 335.285 2.824 30 40 EFEB C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@H](O)C[C@]2(C)[C@@H]1O 118934966 KRJYQZVCFICBNU-CPXYXGESSA-N 334.431 2.964 30 40 EFEB C=CCNC(=O)[C@@H](C#N)c1nc2ccccc2nc1N1CCCCC1 2302721 ODZMXUHVBXACKF-AWEZNQCLSA-N 335.411 2.529 30 40 EFEB Cc1ccc2c(c1CC[C@@H](O)C(C)(C)O)C(=O)C(=O)C(C(C)C)=C2 14690081 NZIUPDOWWMGNCV-MRXNPFEDSA-N 330.424 2.864 30 40 EFEB biogenic,investigational N#Cc1cc(N2CCN(Cc3ccccn3)CC2)c2ccccc2n1 96453281 HAPMXHFRVOLMTL-UHFFFAOYSA-N 329.407 2.824 30 40 EFEB CCOC/C(O)=N/S(=O)(=O)c1ccc(F)cc1C(F)(F)F 71883907 DPBYXTCIDAMMQZ-UHFFFAOYSA-N 329.271 2.526 30 40 EFEB N#CCNC(=O)CN1CCC[C@H]1c1nc(-c2ccc(Cl)cc2)c[nH]1 71912021 VZJMCAGOCSKXII-HNNXBMFYSA-N 343.818 2.507 30 40 EFEB C/N=C(/NCc1ccc(C)nc1OC)NC[C@H]1CCO[C@H]1C(C)(C)C 95963215 AHCRSNVMLYAVBA-GDBMZVCRSA-N 348.491 2.515 30 40 EFEB COc1ccc(Cl)cc1C=Nn1c(O)nc2ccccc2c1=O 409340878 BSEHZEBLZKUMRX-UHFFFAOYSA-N 329.743 2.646 30 40 EFEB CCOC(=O)c1sc(NC(=O)CN2CCCCCC2)c(C#N)c1C 408582043 LJBURIRSBMASJH-UHFFFAOYSA-N 349.456 2.919 30 40 EFEB COC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@H]1c1ccccc1[N+](=O)[O-] 22611825 ZZIKIYWIJFBFPQ-INIZCTEOSA-N 342.351 2.736 30 40 EFEB CS(=O)(=O)/N=C(\O)COc1ccccc1OCc1ccccc1 78665013 ZCUNCTMYUYJLEG-UHFFFAOYSA-N 335.381 2.561 30 40 EFEB COc1ccc(C(=O)/C=C/c2cnc(N3CCCC3)nc2)cc1OC 44013585 UKTGCQKQXKTVHD-FNORWQNLSA-N 339.395 2.990 30 40 EFEB COc1cc(CN2CC[C@@H](NCc3ccc(C#N)o3)C2)cc(OC)c1 88755855 ZMICJZBYBIAAKI-OAHLLOKOSA-N 341.411 2.533 30 40 EFEB CN(C(=O)CSCC#N)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O 190436813 HEGMUBVEOAIYKE-GXTWGEPZSA-N 345.251 2.667 30 40 EFEB CCOc1ccc(C#N)cc1NC(=O)NCCc1nccn1C(F)F 96403311 YPQBAJJQPSKUEY-UHFFFAOYSA-N 349.341 2.913 30 40 EFEB Cn1cc([C@@H]2C[C@H](Nc3ccc([N+](=O)[O-])cc3C#N)CCO2)cn1 585092129 GHTWEHIOQCWCEY-CJNGLKHVSA-N 327.344 2.532 30 40 EFEB N#Cc1cccc(N2CC[C@H](Oc3ccncc3Br)C2)n1 1776008875 QOMIYSLNNAASFA-LBPRGKRZSA-N 345.200 2.768 30 40 EFEB Cc1ccc(C#N)c(N2CCN(C(=O)CCCc3ccccc3)CC2)n1 160972653 FOOZUJYZXZFBRW-UHFFFAOYSA-N 348.450 2.933 30 40 EFEB COc1cc(C(C)=O)ccc1OCC(=O)NC1(C#N)CCCCC1 4961439 KHFOUQILHLRCIW-UHFFFAOYSA-N 330.384 2.619 30 40 EFEB Cc1noc([C@H]2CCC3(CCN(C(=O)C4(C#N)CCCC4)CC3)O2)n1 1614940617 SBMOZYCLSQBMQA-CQSZACIVSA-N 344.415 2.675 30 40 EFEB N#Cc1nccnc1O[C@H]1CC[C@H](NC(=O)Nc2cccs2)CC1 245053463 OVRDRCYJIUZISE-HAQNSBGRSA-N 343.412 2.921 30 40 EFEB O=C(OCC#Cc1ccccc1)[C@H]1CCCN(C(=O)c2ccncc2)C1 76090069 AGLNOAISODHTQF-IBGZPJMESA-N 348.402 2.529 30 40 EFEB COC(=O)c1cccc(S(=O)(=O)/N=C(\O)CC2CCCC2)c1 58189238 IMGBXQMSNVUNBC-UHFFFAOYSA-N 325.386 2.699 30 40 EFEB C[C@H]1CCC[C@H](C)N1C(=O)COc1ccc(C(=O)OCC#N)cc1 12670668 QPVSIAQZCNUZHZ-KBPBESRZSA-N 330.384 2.535 30 40 EFEB CC1(C)CC(=O)C2=C(C1)Nc1ncnn1[C@H]2c1ccc2c(c1)OCO2 15083407 OFMJDTCXKDZNFE-INIZCTEOSA-N 338.367 2.665 30 40 EFEB Cn1c(SCC(=O)c2ccc(C#N)cc2)nnc1-c1ccncc1 4979986 XGJKABHGWZOSCN-UHFFFAOYSA-N 335.392 2.724 30 40 EFEB N#C[C@H](NC(=O)Cn1cccn1)c1ccc(OCc2ccccc2)cc1 68343622 KWLKWNYCXMHPBW-IBGZPJMESA-N 346.390 2.843 30 40 EFEB C=CCNC(=O)[C@H](C)Sc1nnc(-c2ccc(OC)cc2OC)o1 8255422 HFBYRBPFHYFLAX-JTQLQIEISA-N 349.412 2.537 30 40 EFEB Cc1nc2cc(/C(O)=N/S(=O)(=O)c3ccccc3F)ccc2n1C 97112919 KYOTXPLDTFCMKZ-UHFFFAOYSA-N 347.371 2.714 30 40 EFEB Cc1ccc(N=C[C@@H]2C(=O)NC(=O)N(c3cccc(C)c3)C2=O)cc1 408527057 JSELDBXJMFLFSP-MRXNPFEDSA-N 335.363 2.905 30 40 EFEB C=CCN1C(=O)S/C(=C/c2ccccc2OCC(=O)OCC)C1=O 409094108 BZWRIXNQOZNGLL-GXDHUFHOSA-N 347.392 2.851 30 40 EFEB O=C1Oc2ccccc2C(=O)/C1=C/NNc1nc2ccccc2s1 67317234 OUHFYWHOTYDOKW-LUAWRHEFSA-N 337.360 2.899 30 40 EFEB C[C@H](NC(=O)N1CC[C@@H](Oc2cccnc2)C1)c1cccc(C#N)c1 96474877 BDIHTJJQEQYFBE-KBXCAEBGSA-N 336.395 2.877 30 40 EFEB Cc1nc(N2CCN(CCc3ccncc3)CC2)c(Cl)cc1C#N 585132731 PXKSMJAJOCBZMV-UHFFFAOYSA-N 341.846 2.675 30 40 EFEB CN(C)c1ccc([C@H]2CCCN2C(=O)c2ccc(F)c(C#N)c2)nn1 591657710 UAOGOBVHKCKXEB-MRXNPFEDSA-N 339.374 2.531 30 40 EFEB O=C(O)c1cc(/N=C/c2ccc(N3CCOCC3)cc2)ccc1O 12363394 XDGYHWDAPPHGLK-XDHOZWIPSA-N 326.352 2.678 30 40 EFEB CN(CCCOc1ccc(F)cc1)S(=O)(=O)c1ccc(C#N)cc1 30441362 CPLHFCZSGVCCSD-UHFFFAOYSA-N 348.399 2.787 30 40 EFEB COc1cc(C#N)ccc1OCC(=O)N1CCC[C@@H]1c1cc(C)no1 53235528 LXMWBQBRUAFVPD-CQSZACIVSA-N 341.367 2.606 30 40 EFEB CC(=O)C1=C(O)[C@H]2[C@@H]3c4c[nH]c5cccc(c45)C[C@@H]3C(C)(C)N2C1=O 4685855 SZINUGQCTHLQAZ-JCURWCKSSA-N 336.391 2.828 30 40 EFEB in-vitro CCN(C[C@@H](C)C#N)S(=O)(=O)c1ccc(-c2coc(C)n2)cc1 71910227 HTQAEZVQNPCVSC-LBPRGKRZSA-N 333.413 2.820 30 40 EFEB CC(C)(C#N)C(=O)N1CCN([C@H](c2ccccc2)C(F)(F)F)CC1 71902990 CAYAPYULBSKYBR-CQSZACIVSA-N 339.361 2.984 30 40 EFEB Cc1ccc(-c2noc(CN3CCN(CCCCC#N)CC3)n2)cc1 58161553 QZTZDVJNEXFALH-UHFFFAOYSA-N 339.443 2.857 30 40 EFEB COC(=O)CSc1nc(-c2ccc(OC)cc2)nc(C)c1C#N 6759731 GTOJCEUDMWTFED-UHFFFAOYSA-N 329.381 2.597 30 40 EFEB Cc1nnc(SCC(=O)N[C@](C)(C#N)C(C)C)n1-c1ccccc1 5894531 PREWUOYETKKBHG-QGZVFWFLSA-N 343.456 2.722 30 40 EFEB C[C@H](Oc1ccc(C#N)cc1)C(=O)Nc1ccccc1C(=O)NC1CC1 15318333 LOVVKLWQJZHHBX-ZDUSSCGKSA-N 349.390 2.856 30 40 EFEB COc1cccc(/C=N/NS(=O)(=O)c2c(C)cc(C)cc2C)c1O 17072379 HGPDJRZZDYEIEP-VCHYOVAHSA-N 348.424 2.638 30 40 EFEB C[C@H](O/N=C(/N)c1nccc2ccccc12)C(=O)Nc1ccccc1 72281939 FLYWSVYIECIEIQ-ZDUSSCGKSA-N 334.379 2.899 30 40 EFEB CC[C@H](CO)NC(=O)Cc1ccc(NCc2cc(C#N)cs2)cc1 89943564 QCKOHSGCTZYFQI-OAHLLOKOSA-N 343.452 2.661 30 40 EFEB C#CCNC(=O)C[C@@H]1C[C@@H](C(C)C)[C@H](CNC(=O)C2CC2)C=C1C 30881450 XKCLOIJXGKEFCN-BZSNNMDCSA-N 330.472 2.507 30 40 EFEB biogenic,in-vitro CC1(C)CC[S@@](=O)c2ccc(C#Cc3ccc(C(=O)O)cn3)cc21 77313270 SMCJVZRFBIOWHW-DEOSSOPVSA-N 339.416 2.969 30 40 EFEB in-vitro COC(=O)c1ccc(C(=O)OC)c(/N=C/c2cccc(OC)c2O)c1 44835928 STAMRWPQUNDCEH-VXLYETTFSA-N 343.335 2.725 30 40 EFEB Cc1cccc2c(N[C@H]3CCN(c4cnn(C)c4)C3)c(C#N)cnc12 96429529 SGPIBTXKUUKZPC-HNNXBMFYSA-N 332.411 2.839 30 40 EFEB N#Cc1ccc(CCC(=O)NC2CCN(c3nccs3)CC2)cc1 96099813 RHWIAVUFTPUKGN-UHFFFAOYSA-N 340.452 2.733 30 40 EFEB C[C@@H](NC(=O)Nc1ccc(F)cc1C#N)[C@@H]1C[C@H](C(=O)O)C1(C)C 593956375 LXWOSYLQZVSTFN-JIMOISOXSA-N 333.363 2.954 30 40 EFEB CCN(CC)C(=O)c1ccc[n+](CC(=O)c2ccc(Cl)cc2)c1 15108882 ISWHSHWTKBBJEP-UHFFFAOYSA-N 331.823 2.992 30 40 EFEB C#CCN1CCC(C(=O)Nc2nc3ccc(OCC)cc3s2)CC1 50026491 GJTZLMSSWGVKIW-UHFFFAOYSA-N 343.452 2.979 30 40 EFEB Cc1ccc2[nH]c3c(=O)n(/N=C/c4cccc([N+](=O)[O-])c4)cnc3c2c1 499610 NUYVSUIQHUWVMW-AWQFTUOYSA-N 347.334 2.977 30 40 EFEB COc1ccccc1[C@@H]1C(C(C)=O)=C(O)C(=O)N1Cc1ccco1 74583 QMDQUFBKJGKQMN-MRXNPFEDSA-N 327.336 2.773 30 40 EFEB COc1ccc(/C=N/OCC(=O)/N=c2\[nH]c3ccccc3s2)cc1 2605720 IBNMIEKKKSTZGW-VCHYOVAHSA-N 341.392 2.716 30 40 EFEB N#CC1(C(=O)N2CCC[C@@H](c3cc(C(F)(F)F)[nH]n3)C2)CCC1 76060449 QXONCXMHQQVWFX-SNVBAGLBSA-N 326.322 2.828 30 40 EFEB CCOC(=O)C(=NNc1cccc(C(F)(F)F)c1)C(=O)OCC 3056381 HZPFFMRBMFQCEL-UHFFFAOYSA-N 332.278 2.600 30 40 EFEB C[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)N[C@@H](C#N)c1ccsc1 72281825 ZVKRGRMSIDCHGE-HZMBPMFUSA-N 347.827 2.901 30 40 EFEB N#CCCN(Cc1ccco1)C(=O)[C@@H]1CC(=O)N(c2ccccc2)C1 58203032 ZYCSQIIVQJLNDH-OAHLLOKOSA-N 337.379 2.575 30 40 EFEB C=CCN(CCc1ccccc1)C(=O)CCS(=O)(=O)C1CCCC1 58282880 NJJWVTZVBKVUDZ-UHFFFAOYSA-N 349.496 2.991 30 40 EFEB Cc1nc2cc(/C(O)=N/S(=O)(=O)c3ccc(F)cc3)ccc2n1C 97112907 GPIFKZZVGFYILQ-UHFFFAOYSA-N 347.371 2.714 30 40 EFEB N#CC1(NC(=O)c2ccc(CCC(F)(F)F)cc2)CCOCC1 95433737 UHZZOAGTRPJPEE-UHFFFAOYSA-N 326.318 2.984 30 40 EFEB N#Cc1ccc(N2CCC(C(=O)NCCc3ccccc3)CC2)nc1 12894026 VHTPWGTWYNQCLC-UHFFFAOYSA-N 334.423 2.529 30 40 EFEB C[C@H](O/N=C/c1ccc2c(c1)OCO2)C(=O)N1CCc2ccccc21 3564196 QIPNKQNVKBTBFJ-HSWQHBDASA-N 338.363 2.744 30 40 EFEB CNC(=O)N(O)[C@H]1N(/N=C/c2cccs2)C(=S)SC1(C)C 4795153 BJUPOYYZMDEACS-CULDGANSSA-N 344.487 2.551 30 40 EFEB COc1cccc(NC(=S)N/N=C2/CC(=O)c3ccccc32)c1 4868666 XTNWIIWBLVZBDM-CYVLTUHYSA-N 325.393 2.972 30 40 EFEB C[C@@H](C(=O)Nc1cccc(C#N)c1)N1CCC(NC2CCCC2)CC1 69700692 HQRHXRYEDFXGGI-HNNXBMFYSA-N 340.471 2.882 30 40 EFEB N#Cc1cccnc1N1CCN(Cc2cccc3cccnc23)CC1 95946931 YORWULFZNIHZNC-UHFFFAOYSA-N 329.407 2.824 30 40 EFEB N#Cc1cccc(Cn2cc([C@H]3OCCN3c3ccccc3)nn2)c1 216755952 MWYAIXHREPQKLM-LJQANCHMSA-N 331.379 2.733 30 40 EFEB Cc1ccc([C@@H](C)/C(O)=N/S(=O)(=O)C[C@@H]2CCCCO2)cc1 78411456 PLANUNPLHSUTNI-HIFRSBDPSA-N 325.430 2.954 30 40 EFEB N#Cc1cc(N)c(Oc2ccc3c(c2)OCO3)n1C[C@H]1CCCO1 225886288 RMMCXSRKBGDAKS-CYBMUJFWSA-N 327.340 2.642 30 40 EFEB CN(C1(C#N)CCC1)S(=O)(=O)c1cc(F)ccc1OCC1CC1 195578569 ABEYTPNZNCAYID-UHFFFAOYSA-N 338.404 2.681 30 40 EFEB C[C@H](c1nc2ccc(Cl)cc2[nH]1)N(C)S(=O)(=O)CCCC#N 585115193 QLJQTAPRYXLWHA-SNVBAGLBSA-N 340.836 2.843 30 40 EFEB CN(C)C(=O)N1CCC(C(=O)OCC#Cc2ccc(Cl)cc2)CC1 96453072 ZTSWXLZKBHVDKV-UHFFFAOYSA-N 348.830 2.628 30 40 EFEB N#Cc1ncn(CC(=O)N[C@H](c2ccccc2)C2CCCC2)c1C#N 97379988 ZRCTXIOULSHVET-LJQANCHMSA-N 333.395 2.674 30 40 EFEB C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1C[C@H]1O[C@]12C(=O)CO 4083918 BEEVBSPCISWKJT-LGTDJQLHSA-N 344.451 2.827 30 40 EFEB biogenic Cc1nn(-c2ccccc2)c2nnc(N/N=C/c3ccccc3)nc12 68602634 WCUFHJIQASSJQM-XDHOZWIPSA-N 329.367 2.965 30 40 EFEB CC(C)/N=C(\O)[C@@H](C#N)C(=O)c1cccc(/N=C(\O)NC2CC2)c1 64267458 WYVUVQLXPRLOKG-AWEZNQCLSA-N 328.372 2.671 30 40 EFEB N#Cc1ccc2ncc(/C=C3\SC(N4CCCCC4)=NC3=O)n2c1 96035747 LFMAKNWQARZMAL-ZSOIEALJSA-N 337.408 2.662 30 40 EFEB C=CCn1cc(C(=O)N2C[C@@H](C(N)=O)CC[C@@H]2C)c2ccccc21 71830078 FQVKTOFFEADRLM-KBPBESRZSA-N 325.412 2.553 30 40 EFEB CN(C[C@H](c1cccs1)N1CCOCC1)c1ccc(C#N)cn1 72276386 OSIBGIKZCFNDJA-OAHLLOKOSA-N 328.441 2.524 30 40 EFEB N#CCNC(=O)CN[C@@H]1CCC[C@@H]1c1ccccc1C(F)(F)F 97103552 PHKOBHIQZSQFCZ-TZMCWYRMSA-N 325.334 2.571 30 40 EFEB CCn1cc(C=Nn2c(O)nc3ccccc3c2=O)c2ccccc21 409353288 IOFVDUMXIDHWGG-UHFFFAOYSA-N 332.363 2.959 30 40 EFEB C#C[C@H](NC(=O)Cc1c[nH]c2cccc(Cl)c12)C1CCOCC1 583651015 DEPMGEBRYOJQQW-HNNXBMFYSA-N 330.815 2.908 30 40 EFEB N#Cc1cccc(CCNC(=O)N2CCC[C@H](N3CCCC3)CC2)c1 253430106 HXDBYZDKUGAGFT-IBGZPJMESA-N 340.471 2.761 30 40 EFEB N#CC1(C(=O)N2CCc3ncnc(-c4ccoc4)c3CC2)CCCC1 1565554297 NFOHQUUPGQXYOI-UHFFFAOYSA-N 336.395 2.748 30 40 EFEB CC1(C)CC(=O)C2=C(C1)Nc1ncnn1[C@@H]2c1ccc([N+](=O)[O-])cc1 18219343 VDAMFCTXJJFANM-OAHLLOKOSA-N 339.355 2.844 30 40 EFEB CN1C(=O)C(=O)/C(=C(/O)c2ccccc2)[C@H]1c1cccc([N+](=O)[O-])c1 104104992 CUJGFVKJNAVZDA-DPEHCCBOSA-N 338.319 2.646 30 40 EFEB CCOc1ccc(CN2CCN(C(=O)c3cccc(C#N)c3)CC2)cc1 21475612 IDFRLEPUIYUERM-UHFFFAOYSA-N 349.434 2.915 30 40 EFEB N#C[C@@H](C(=O)c1ccc2[nH]c3c(c2c1)CCCC3)C(=O)N1CCCC1 103502743 MFDTUJYGXOJWLA-INIZCTEOSA-N 335.407 2.992 30 40 EFEB CCN(CC(=O)NCc1cccs1)Cc1ccc(C#N)cc1F 53897074 WQFDKJKWUXOUTQ-UHFFFAOYSA-N 331.416 2.897 30 40 EFEB O=C1C[C@H](c2ccco2)CC2=C1[C@H](c1ccc(O)cc1)n1ncnc1N2 19959856 IMIKMFTYEGJOOP-XIKOKIGWSA-N 348.362 2.992 30 40 EFEB C[C@](C#N)(NC(=O)CN(Cc1cccs1)C[C@@H]1CCCO1)C1CC1 57748194 DWBFRCBMSAXVTG-MAUKXSAKSA-N 347.484 2.538 30 40 EFEB COc1ccc(/C=N/Nc2ccc(C(=O)O)cc2)c(OC)c1OC 3909612 UUMIBDLOVCMGHK-VCHYOVAHSA-N 330.340 2.857 30 40 EFEB biogenic CC1(C)Cc2c(C#N)c(N)n(-c3ccc(Cl)cc3)c(=O)c2CO1 6755144 TZAKATPUJKQXGE-UHFFFAOYSA-N 329.787 2.796 30 40 EFEB C=C(Cl)CSc1nc2cc(S(N)(=O)=O)ccc2n1CCC 6979203 VRMRGTRHJAXHTR-UHFFFAOYSA-N 345.877 2.938 30 40 EFEB C#CCN1CCC(C(=O)NC[C@H]2CCCc3cc(OC)ccc32)CC1 97380072 FTXLTMXPUYMDLP-GOSISDBHSA-N 340.467 2.577 30 40 EFEB Cc1cc(F)c(S(=O)(=O)Nc2ccn(CCCC#N)n2)cc1F 95417499 WAGMXBPDFLZSKD-UHFFFAOYSA-N 340.355 2.574 30 40 EFEB N#Cc1cc([N+](=O)[O-])ccc1N1CCc2c(sc(N)c2C#N)C1 21835637 JBPGVSSUVMYLSP-UHFFFAOYSA-N 325.353 2.545 30 40 EFEB Cc1ccc(S(=O)(=O)/N=C(\O)c2ccn(C(C)C)n2)c(F)c1 75040418 ZKYCZWGSXMJELK-UHFFFAOYSA-N 325.365 2.605 30 40 EFEB CC(=O)N1c2ccccc2C[C@H]1C(=O)[C@H](C#N)c1nc2ccccc2o1 71855198 QKVRNEQOQJSVEB-YOEHRIQHSA-N 345.358 2.982 30 40 EFEB N#Cc1ccc(N2CCC(COc3cc4c(nn3)CCC4)CC2)nc1 1775986012 OQEFKWXBNUUJIF-UHFFFAOYSA-N 335.411 2.527 30 40 EFEB CC(C)C#C[C@](O)(C(=O)O[C@H]1C2CCN(CC2)[C@H]1C)C1CCCCC1 5954670 QAPPZPYLSRRINH-LDQXTDLNSA-N 347.499 2.983 30 40 EFEB Cc1[nH]nc(O)c1[C@H](c1ccc(Br)cc1)C(C#N)C#N 17857514 WOWOKCXHHKKZKS-CYBMUJFWSA-N 331.173 2.981 30 40 EFEB C=CCN1c2cccnc2-n2cccc2[C@]12CCN(C(=O)[C@H]1C[C@H]1C)C2 2056226249 NVEHLXAOOHBLSV-VWKPWSFCSA-N 348.450 2.962 30 40 EFEB N#Cc1cc(-c2ccccc2)sc1NC(=O)CN1CSCC1=O 77687421 KOZBXWBHFIMEPP-UHFFFAOYSA-N 343.433 2.758 30 40 EFEB CCN1C[C@@H](CN(C)c2nnc(C)c(C)c2C#N)Oc2ccccc21 78783270 UXSWECNLJVONKI-OAHLLOKOSA-N 337.427 2.689 30 40 EFEB CC(C)c1n[nH]c([C@@H]2CN([C@@H](C)c3ccc(C#N)cc3)CCO2)n1 78892907 NJJBPSRDZCBGSH-BBRMVZONSA-N 325.416 2.934 30 40 EFEB COc1ccc(NC(=O)COC(=O)c2ccc(C#N)cc2F)cc1 8157518 HJYQYFQFFIHPKO-UHFFFAOYSA-N 328.299 2.501 30 40 EFEB CNC(=O)[C@@H]1CCCN(c2c(C#N)cnc3ccc(Cl)cc23)C1 72302107 HBXRFNAGQKJMCN-LLVKDONJSA-N 328.803 2.722 30 40 EFEB C[C@H](c1nc(C2CC2)no1)N1CCN(Cc2ccc(C#N)cc2)CC1 44975157 VBIXVMJMYIBYGC-CQSZACIVSA-N 337.427 2.697 30 40 EFEB C/C(=N\Nc1nc2ccccc2s1)c1ccc(S(N)(=O)=O)cc1 96682470 DUFMNMBJEBECHG-VCHYOVAHSA-N 346.437 2.780 30 40 EFEB FC(F)(F)c1ccccc1/C=N/NC(=S)NC[C@H]1CCCO1 6685462 JRFPRXXQMBRZGN-YTTILGKYSA-N 331.363 2.682 30 40 EFEB N#CCCCSc1nnc(N2CCCCC2)n1C[C@@H]1CCCO1 69455831 SSQSGAAPYMQVHM-AWEZNQCLSA-N 335.477 2.843 30 40 EFEB N#Cc1ccc(CS(=O)(=O)/N=C(\O)COC2CCCCC2)cc1 48509303 XUTXMIURGJQRSD-UHFFFAOYSA-N 336.413 2.694 30 40 EFEB CCCCCCn1c(=N)c(C#N)cc2c(=O)n3cccc(C)c3nc21 100707481 YLRLZUVZYUQPJH-UHFFFAOYSA-N 335.411 2.889 30 40 EFEB Cc1ccc(/C(=N\c2nc[nH]n2)C2C(=O)c3ccccc3C2=O)cc1 100946418 FVHOHZVQBWBGOQ-CJLVFECKSA-N 330.347 2.929 30 40 EFEB Cc1cc2cc(C#N)c(NCCNC(=O)C(F)(F)F)nc2cc1C 4964528 OHYVGYIGZXHPMV-UHFFFAOYSA-N 336.317 2.814 30 40 EFEB C=CCOc1ccc(C(=O)N2CCN(c3ccccc3O)CC2)cc1 23081997 ZZIBCYYMWFZJMV-UHFFFAOYSA-N 338.407 2.919 30 40 EFEB CCOC1(OCC)N=C(N)[C@@]2(C#N)[C@@H](c3ccccc3Cl)[C@]12C#N 100478911 CVHHGBAXYMRGOY-BMFZPTHFSA-N 344.802 2.555 30 40 EFEB COc1ccc(NC(=O)/C(O)=C\C(=O)c2ccc(OC)cc2)cc1 100361097 BGWCXVKTPNUSFV-GZTJUZNOSA-N 327.336 2.967 30 40 EFEB C=CCNS(=O)(=O)c1ccc(Br)c(OCCC)c1 11566141 BHFIKRSHCFTGKB-UHFFFAOYSA-N 334.235 2.702 30 40 EFEB CC(=O)N1CCc2cc(NC(=O)[C@H](C)Oc3ccc(C#N)cc3)ccc21 13000585 SROXNHUWZLTXJB-ZDUSSCGKSA-N 349.390 2.873 30 40 EFEB C[C@@H](/N=C(\NCc1ccccc1)NCc1nccs1)[C@@H]1CCCO1 71804085 DAQPZCPHXOMVMA-ZBFHGGJFSA-N 344.484 2.946 30 40 EFEB Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N[C@H]1CCCc2occc21 72273595 YGYLRPWVNVNCOY-INIZCTEOSA-N 339.395 2.583 30 40 EFEB CN(Cc1ccc(C#N)o1)[C@@H](C(N)=O)c1cccc(Br)c1 97162297 JBKGUYACASIGNO-CQSZACIVSA-N 348.200 2.572 30 40 EFEB C#CCOc1ccc(N(C)C(=O)c2ccc(C(=O)NC3CC3)cc2)cc1 95441218 ASCCTNGPBQDGHJ-UHFFFAOYSA-N 348.402 2.867 30 40 EFEB C[C@H](c1ccc(F)cc1)N(C)C(=O)CNC(=O)c1ccc(C#N)cc1 97379192 VVNCWWFDNWQWDM-CYBMUJFWSA-N 339.370 2.647 30 40 EFEB COc1cccc(CNC(=O)[C@H](C)Sc2cc(C#N)ccn2)c1 77908330 WOKPMBZSBLQFBZ-LBPRGKRZSA-N 327.409 2.759 30 40 EFEB COC(=O)[C@H](c1cc(F)ccc1F)N(C)C(=O)c1cccc(C#N)c1 78732685 FLXJYOLLMVTCON-INIZCTEOSA-N 344.317 2.823 30 40 EFEB COc1cccc(N/N=C2/C(=O)Nc3cc4c(cc32)OCCCO4)c1 19341252 BJZSONJVGBRJRH-UHFFFAOYSA-N 339.351 2.625 30 40 EFEB N#Cc1ccc(C(=O)N2CCC[C@@H](Oc3ncc(Cl)cn3)C2)cc1 575605733 SBROKYDFMHZVJN-OAHLLOKOSA-N 342.786 2.685 30 40 EFEB COc1ccc(/C(O)=C2\C(=O)C(=O)N(C)[C@@H]2c2ccc(F)cc2)cc1 102616073 QGAZTSIHQZIDBT-IBOXJLQUSA-N 341.338 2.886 30 40 EFEB CC[C@@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)CN(C)C(=O)OC)cc1 102898546 FNLYXVGLNRZJFZ-IUODEOHRSA-N 345.399 2.546 30 40 EFEB COc1ccc2c(c1)CCC[C@@H]2CC(=O)[C@H](C#N)C(=O)NC(C)C 103270748 PXRCGIKGUVRJMH-PBHICJAKSA-N 328.412 2.739 30 40 EFEB C=C[C@H]1CN2CC[C@H]1C[C@@H]2CNC(=S)Nc1ccc(OC)cc1 8254565 LGJZWYXCXCZESO-OFQRWUPVSA-N 331.485 2.878 30 40 EFEB biogenic,in-vitro Cc1cc(N2CCN(C(=O)c3cccc(C#N)c3)CC2)nc(C(C)C)n1 24218154 CXJCRSQKZQWJBW-UHFFFAOYSA-N 349.438 2.743 30 40 EFEB N#CCCN(CCC#N)C(=O)c1cc(Cl)c2c(c1)OCCCO2 58282957 MVNSFPNGOBIPIE-UHFFFAOYSA-N 333.775 2.771 30 40 EFEB COC(=O)c1ccc(/C=C/C(=O)N(CCC#N)Cc2cccnc2)cc1 58323052 DVDNIPMZOBBMAS-JXMROGBWSA-N 349.390 2.824 30 40 EFEB C=CCN1C(=O)c2ccccc2N[C@H]1c1cnc(N2CCCC2)nc1 48366291 HWYDDBXAXAOXAR-QGZVFWFLSA-N 335.411 2.829 30 40 EFEB C=CCNc1nc(C(=O)OCc2ccc(C(=O)OC)cc2)cs1 3567903 VWXIAIBHGOHSBL-UHFFFAOYSA-N 332.381 2.885 30 40 EFEB CC(C)(C)OC(=O)N1CCC[C@@]1(Cc1cccc(C#N)c1)C(=O)O 4241152 ZLTRKDHDWPBJPO-GOSISDBHSA-N 330.384 2.955 30 40 EFEB Cc1c(C#N)c2nc3ccccc3n2c(=O)/c1=C/Nc1ccc(F)cc1 5890852 AIFRXWKWECGGGT-LFIBNONCSA-N 344.349 2.736 30 40 EFEB N#Cc1ccc(C(=O)N2C[C@H](O)C[C@H]2c2cc(F)ccc2F)cc1 91767245 LZZXIMOWDZDMMG-PBHICJAKSA-N 328.318 2.785 30 40 EFEB N#Cc1ccc(CN2CCCN(C(=O)[C@H]3C[C@H]3c3ccco3)CC2)cc1 71835186 AFDAVNIYFBMXFN-MOPGFXCFSA-N 349.434 2.989 30 40 EFEB C[C@H](c1cccnc1)N1CCN(c2ccc([N+](=O)[O-])c(C#N)c2)CC1 97144865 LDNKHMDZGPWJMB-CQSZACIVSA-N 337.383 2.745 30 40 EFEB O=C(CNc1cccc(C#Cc2ccccc2)c1)NC[C@@H]1CCOC1 95402825 OLWSHSIBLPYOEF-IBGZPJMESA-N 334.419 2.651 30 40 EFEB Cc1cc(C)cc([C@H]2CCN(S(=O)(=O)N(C)[C@H](C)CC#N)C2)c1 225753546 REYNIGTUFFKMMG-CVEARBPZSA-N 335.473 2.572 30 40 EFEB C[C@@H](c1ccc(F)cc1)N(C)C(=O)CNC(=O)c1ccc(C#N)cc1 97379191 VVNCWWFDNWQWDM-ZDUSSCGKSA-N 339.370 2.647 30 40 EFEB CN(C)C(=O)c1cccc(CCNC(=O)C2(C#N)CCCCC2)c1 96423163 VCJPCEMDFZBMTQ-UHFFFAOYSA-N 327.428 2.521 30 40 EFEB N#CCN(C1CCCC1)S(=O)(=O)c1cnc2onc(C3CC3)c2c1 585087329 OHRKODBRUTWUQZ-UHFFFAOYSA-N 346.412 2.557 30 40 EFEB CN(/C(N)=N/C[C@@H]1CCN(C)[C@@H]1c1ccc(Cl)c(F)c1)C1CC1 252478964 AYDOUNSSBPBCRP-BLLLJJGKSA-N 338.858 2.881 30 40 EFEB CCOC(=O)C1=C(N)OC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1cccnc1 333600 JHVYXRCJWGBQQE-AWEZNQCLSA-N 342.395 2.572 30 40 EFEB CC/N=C(\NCc1ccccn1)NC[C@@H]1CCO[C@@H]1c1ccccc1 104202034 ORSQSEBRWONMRZ-PKOBYXMFSA-N 338.455 2.915 30 40 EFEB N#C[C@@H](C1CCCCC1)N1CCN(C(=O)C2(C#N)CCCC2)CC1 57233432 VBIGQKYXFWNMOI-KRWDZBQOSA-N 328.460 2.687 30 40 EFEB COc1ccc([C@H]2CCN(CC(=O)N[C@@](C)(C#N)C(C)C)C2)cc1 58392850 SRGIMKGXHXRHKF-LPHOPBHVSA-N 329.444 2.539 30 40 EFEB C#CCNC(=O)c1ccc(-n2nc(C)c(Br)c2C)cc1 46161782 WAGHRHAOJPVTPI-UHFFFAOYSA-N 332.201 2.615 30 40 EFEB C[C@H]1CC[C@@H](C)N1CCN1CCN(Cc2ccc(C#N)cc2)CC1 70036957 XLQYKAVTBNPIGZ-HDICACEKSA-N 326.488 2.549 30 40 EFEB COc1ccc(OCCNC(=O)NCc2ccc(C#N)cc2F)cc1 69594720 FDBRWMGVSVEJFR-UHFFFAOYSA-N 343.358 2.584 30 40 EFEB C/C(=N/N=C1\NC(C)(C)Cc2ccccc21)c1c(O)cc(C)oc1=O 17722433 RTTLDGBVMHHECG-MTJSOVHGSA-N 339.395 2.749 30 40 EFEB CCCOc1ccc(-c2nc(SC)[nH]c(=O)c2C#N)cc1OC 8654672 VNIOTTIKBZKSGU-UHFFFAOYSA-N 331.397 2.828 30 40 EFEB COc1ccc(N/C(C)=C\C(=O)ONC(=O)c2ccccc2)cc1 18169873 OBVWMPVLWGLDQD-SEYXRHQNSA-N 326.352 2.899 30 40 EFEB N/C(=N/Cc1cc(F)cc(F)c1)N1CCN(c2ccccc2F)CC1 95948309 DJQJPQDCYALSJX-UHFFFAOYSA-N 348.372 2.741 30 40 EFEB CCNC(=NCc1cc(OC)c(OC)cc1Br)NCC 76105861 GSLXBRKMCIJHRG-UHFFFAOYSA-N 344.253 2.541 30 40 EFEB C=CCNC(=O)CCc1nc(-c2cccc(C(F)(F)F)c2)no1 225802350 NVONRDPTGKHGJG-UHFFFAOYSA-N 325.290 2.990 30 40 EFEB N#CCCn1ccc(NC(=O)Nc2cc(F)ccc2-n2cccn2)n1 195577423 RNKKICPJJWNBGY-UHFFFAOYSA-N 339.334 2.766 30 40 EFEB CC1(C)OB(c2cnn(CCC(F)(F)C(F)(F)F)c2)OC1(C)C 585672388 KKWVLHNIWYWVAT-UHFFFAOYSA-N 340.101 2.770 30 40 EFEB COc1ccc(C(=O)C2=C(O)C(=O)N[C@@H]2c2ccccc2)cc1OC 5408818 NNJUHKCWTCQXTI-MRXNPFEDSA-N 339.347 2.570 30 40 EFEB C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@H](O)C[C@@]21C 17423562 IMVRRRQPUUOMNB-CZUPSRJTSA-N 326.436 2.629 30 40 EFEB C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@]2(O)[C@@H](O)CO 118916979 XNFSGLNHLVHCFT-IFBUNOGVSA-N 348.483 2.603 30 40 EFEB CC[C@@]1(c2ccc(OC)cc2)NC(=O)N(Cc2ccc(C#N)cc2)C1=O 5797573 WNJHCAUIHMODEU-FQEVSTJZSA-N 349.390 2.924 30 40 EFEB Cc1csc([C@H](C#N)C(=O)c2cn(Cc3cccs3)nn2)n1 76089781 RNPCWEOWCCUWMP-LLVKDONJSA-N 329.410 2.643 30 40 EFEB COc1ccc(C)cc1-n1ccc(C(=O)N(CCC#N)CC2CC2)n1 78419154 RYGLYWAOFHVFCD-UHFFFAOYSA-N 338.411 2.955 30 40 EFEB N#Cc1ccccc1Oc1ccc(S(=O)(=O)N2CCCC2)cn1 12562946 SNNBOEYPNBKGBR-UHFFFAOYSA-N 329.381 2.530 30 40 EFEB C=CCSc1ccccc1NS(=O)(=O)c1ccc(C(N)=O)cc1 9116187 VFNFREQVWADBRT-UHFFFAOYSA-N 348.449 2.864 30 40 EFEB N#Cc1ccc(NC[C@H]2CCN(C[C@@H](O)c3cccc(F)c3)C2)nc1 65496598 FINNZIGBMIQRMS-CRAIPNDOSA-N 340.402 2.560 30 40 EFEB Cc1ccccc1-n1nnnc1SCC(=O)[C@@H](C#N)c1ccccc1 6585193 PWZSMLCUORFWOI-HNNXBMFYSA-N 349.419 2.939 30 40 EFEB O=C1C[C@H](c2ccco2)CC2=C1[C@@H](c1ccc(O)cc1)n1ncnc1N2 19959852 IMIKMFTYEGJOOP-KZULUSFZSA-N 348.362 2.992 30 40 EFEB COc1ccccc1[C@H](C#N)NC(=O)c1ccc(Cn2ccnc2)o1 95399053 VYQQTFSBKNXLJX-HNNXBMFYSA-N 336.351 2.528 30 40 EFEB C[C@@H]1C[C@@H](/C(O)=N/S(=O)(=O)c2cccc(Cl)c2)CCC1=O 95461486 HDDXQEPLUUSFPR-ZJUUUORDSA-N 329.805 2.991 30 40 EFEB COc1cc(/C=C2/CCc3c(cnn3C)C2=O)c([N+](=O)[O-])cc1OC 89745435 ONDNXFUIABDPAM-POHAHGRESA-N 343.339 2.558 30 40 EFEB N#Cc1cccc(CNC(=O)Nc2nnc(C(F)(F)F)s2)c1 89774446 SCTCXGACZOHQOL-UHFFFAOYSA-N 327.291 2.750 30 40 EFEB COc1ccccc1S(=O)(=O)N[C@](C)(C#N)CCc1ccccc1 89895688 HXFQYEIOCYDTNX-SFHVURJKSA-N 344.436 2.889 30 40 EFEB CCc1ccc([C@@H]2[C@@H](S(=O)(=O)c3ccccc3)[C@]2(C#N)C=O)cc1 218517732 FFZBHABZJUTCEQ-GUDVDZBRSA-N 339.416 2.898 30 40 EFEB CC/N=C(/NCCc1ccccn1)NC[C@@H]1CCO[C@H]1C(C)(C)C 96447297 HHUKQLYDFFPLHC-DOTOQJQBSA-N 332.492 2.630 30 40 EFEB C#Cc1cccc(NC(=O)NC[C@](O)(/C=C/OCC)C(F)(F)F)c1 583650763 AJPNDVXFYCUGLK-XVJNWHFHSA-N 342.317 2.633 30 40 EFEB CNC(=S)NN=Cc1cccc(OCCOc2ccc(C)cc2)c1 15939010 VOHCTAGNZUZHKQ-UHFFFAOYSA-N 343.452 2.881 30 40 EFEB C[C@@H](c1nc(C2CC2)no1)N1CCN(c2cccc(F)c2C#N)CC1 51180220 JHXPLRHHHACATR-LBPRGKRZSA-N 341.390 2.841 30 40 EFEB C#CCN1CCC(C(=O)NCCc2c[nH]c3ccc(Cl)cc23)CC1 76066498 FCWQTNUVJOIXAA-UHFFFAOYSA-N 343.858 2.825 30 40 EFEB Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N1C[C@H](C)C[C@@H](C)C1 24962553 DJQVRQRSMAMAAM-CHWSQXEVSA-N 339.443 2.655 30 40 EFEB C=CCOC[C@@]12CCCO[C@@H]1CCN(Cc1cccnc1OC)C2 107771358 PBGGRZCRGTXFQM-MJGOQNOKSA-N 332.444 2.664 30 40 EFEB C=CCOc1ccc([C@@H]2NC(=O)NC(C)=C2C(=O)OC(C)C)cc1 5042750 AIQMWIIAKPCWCM-INIZCTEOSA-N 330.384 2.831 30 40 EFEB Cc1cc(C(=O)OCC(=O)N(C)CCC#N)c(C)n1-c1ccccc1 6648760 PBBQQAGCTJUDJE-UHFFFAOYSA-N 339.395 2.623 30 40 EFEB COc1cc(/C=N/N2C(=O)CSC2=S)cc(Cl)c1OC 409340333 VIQQZEBAAGAOSP-LHHJGKSTSA-N 330.818 2.551 30 40 EFEB CCOc1cc2c(cc1/C=C/c1n[nH]c(=O)c(C#N)c1C)O[C@@H](C)C2 7325083 FZEFFIBUWWKOPN-QRGHLMKCSA-N 337.379 2.843 30 40 EFEB COc1cccc(C[C@]2(CO)CCCN(c3ncccc3C#N)C2)c1 67965062 TVACVGRENAHDQC-HXUWFJFHSA-N 337.423 2.783 30 40 EFEB C[C@H](Oc1ccc(/C=N\c2ccc(O)c(C(=O)O)c2)cc1)C(=O)O 408854571 IPCRTVKTOVVSML-OAOMGELKSA-N 329.308 2.693 30 40 EFEB C=CCn1c(N)nnc1SCc1nnc(-c2ccccc2F)o1 78959889 UNBOCPXZSVJXHD-UHFFFAOYSA-N 332.364 2.528 30 40 EFEB CCOc1cc(/C=N\Nc2ccc([N+](=O)[O-])cn2)ccc1OCC#N 33674876 OGKJVCIIEDTRGC-GRSHGNNSSA-N 341.327 2.737 30 40 EFEB CN1C(=O)C[C@H](C(=O)Nc2ccc(C#N)cc2)[C@H]1c1ccc(F)cc1 72242188 KDWHGPIEQIBYSI-FUHWJXTLSA-N 337.354 2.855 30 40 EFEB Cc1ccc(S(=O)(=O)[C@@H]2[C@@H](c3ccccc3)[C@@]2(C#N)C(=O)O)cc1 218044280 OOXUYCOASAGSJW-JFIYKMOQSA-N 341.388 2.529 30 40 EFEB C=CCn1c(C)nnc1S[C@@H]1CCN(c2sccc2C#N)C1=O 83090649 QGNTTXPADBFOPF-GFCCVEGCSA-N 345.453 2.603 30 40 EFEB CC/N=C(/NCc1noc(C)n1)NCc1ccc(Cl)cc1Cl 83151462 WFVFBRFCZVDYPM-UHFFFAOYSA-N 342.230 2.940 30 40 EFEB N#Cc1cccc(N[C@H]2CO[C@]3(CCCN(Cc4ccoc4)C3)C2)n1 96048304 MLLXNQVDFDOQNK-IEBWSBKVSA-N 338.411 2.782 30 40 EFEB N#Cc1cccc(N[C@@H]2CO[C@]3(CCCN(Cc4ccco4)C3)C2)n1 96223051 ZBVLANSVYBABPF-QFBILLFUSA-N 338.411 2.782 30 40 EFEB Cc1ccc(OC[C@@H]2CCN(c3ncc(C#N)cc3Cl)C2)nn1 2087124859 GVWLMYBLAQIKKE-GFCCVEGCSA-N 329.791 2.610 30 40 EFEB N#Cc1ccc(C(=O)NCCC(=O)N2CCCc3ccccc32)cc1 40542453 ODISIHGKAJZFHF-UHFFFAOYSA-N 333.391 2.658 30 40 EFEB Cc1nonc1NC(=O)CSc1nc2ccccc2cc1C#N 1331066 CITIEHAUKMRRBO-UHFFFAOYSA-N 325.353 2.529 30 40 EFEB Cc1cc([C@@H]2CCCN2C(=O)[C@H](C)Oc2ccccc2C#N)on1 53401943 FDCGPYRZOBLKNU-ZFWWWQNUSA-N 325.368 2.986 30 40 EFEB Cc1cccc(/N=C/[C@H]2C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)c1 4738544 CGXZLHZIWUXYKG-VYXQJKENSA-N 339.326 2.736 30 40 EFEB CC1CCC(NC(=O)NC2CCN(c3ccc(C#N)cn3)CC2)CC1 67100407 MWKHSBYBXCJBHY-UHFFFAOYSA-N 341.459 2.800 30 40 EFEB Cc1[nH]c2ccccc2c1CCNC(=O)C(=O)Nc1ccc(C#N)cc1 69514528 WZLKEAUOXXSFCP-UHFFFAOYSA-N 346.390 2.645 30 40 EFEB CCOc1ccc(N(CCC#N)C(=O)c2cn3cccnc3n2)cc1 71889094 JMVQUMWEXLFRFO-UHFFFAOYSA-N 335.367 2.688 30 40 EFEB C[C@H]1[C@@H](c2ccccc2)OC[C@@H](C)N1CC(=O)NC1(C#N)CCCC1 69697758 SFJACAHCMHXUCA-GJYPPUQNSA-N 341.455 2.789 30 40 EFEB N#C[C@@]1(CO)[C@@H](S(=O)(=O)c2ccc(Cl)cc2)[C@@H]1c1ccccc1 218055457 NLPBNIVXKUFUDM-ULQDDVLXSA-N 347.823 2.782 30 40 EFEB N#Cc1nccnc1N1C[C@H](CCN2CCCC2=O)c2ccccc21 81030236 DEYMFYYZFFXOKY-AWEZNQCLSA-N 333.395 2.596 30 40 EFEB C[C@H](OC(=O)[C@@H]1CCCN(C(=O)C2CC2)C1)c1ccc(C#N)cc1 96451146 YOFAKGMYWSYNOV-SUMWQHHRSA-N 326.396 2.811 30 40 EFEB C[C@H](N=c1cc(C#N)cn[nH]1)[C@@H](OC1CCOCC1)c1ccccc1 596169695 KDRCQJLASKNEJN-IFXJQAMLSA-N 338.411 2.507 30 40 EFEB C[C@H]1CCN(c2ccc(F)cc2F)CCN1c1ccnc(C#N)n1 1615571066 FDTGMVZJYHUPTI-LBPRGKRZSA-N 329.354 2.732 30 40 EFEB COc1ccc(/C(C)=N/NS(=O)(=O)c2ccc(C)cc2)cc1OC 5373167 FLWDNIKWJKNZHV-QGOAFFKASA-N 348.424 2.715 30 40 EFEB N#Cc1ccc(N2C[C@@H]3CN(c4ncnc5ccsc45)C[C@H]3C2)nc1 1888897231 VJCZIIWCUWVZMW-ZIAGYGMSSA-N 348.435 2.531 30 40 EFEB O=C1[C@@H]2[C@@H](C(=O)N1/N=C/c1cccc(Cl)c1)[C@@H]1C=C[C@@H]2C12CC2 100058693 GEPKDOJMRDNGAR-HPJRRFGBSA-N 326.783 2.871 30 40 EFEB N#Cc1c(NC(=O)Cn2nnc3ccccc32)sc2c1CCCC2 419336 FIQIEPZGZPSICF-UHFFFAOYSA-N 337.408 2.882 30 40 EFEB C[C@H]1CN(Cc2cccc(CNC(=O)c3cccc(C#N)c3)c2)CCO1 62291439 HTLQULOMIMTXCS-INIZCTEOSA-N 349.434 2.709 30 40 EFEB N#Cc1ccc(C(=O)O)nc1/C=C/c1ccc(N2CCOCC2)cc1 58370930 IUFDIOCQQZQLOJ-XVNBXDOJSA-N 335.363 2.658 30 40 EFEB N#Cc1nc(C2CC2)oc1N1CCN(Cc2nc3ccccc3o2)CC1 29226231 UOFUQTCZUJJZRI-UHFFFAOYSA-N 349.394 2.887 30 40 EFEB 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COC(=O)c1ccc(/C=C/C(=O)c2ccc(N3CCOCC3)cc2)o1 58250599 YREDPEQYVFUTOF-SOFGYWHQSA-N 341.363 2.799 30 40 EFEB Cc1nnc(NC[C@@H](O)CO[C@@H](C)c2ccccc2)c(C#N)c1C 44976148 QDBDFWIZQJXICR-GOEBONIOSA-N 326.400 2.516 30 40 EFEB C=CCCO[C@@H](C)C(=O)NS(=O)(=O)c1ccc2ccccc2c1 65642580 AYXLFFQMZCHTRK-ZDUSSCGKSA-N 333.409 2.626 30 40 EFEB CCOc1ccc(S(=O)(=O)N/N=C(\C)c2cccc(OC)c2)cc1 6675297 VMGNICYDFSSRDG-QGOAFFKASA-N 348.424 2.796 30 40 EFEB C#CCN1CCC(C(=O)N2CCn3cccc3[C@H]2c2ccccc2)CC1 67214651 WMXFECGRABBTPT-OAQYLSRUSA-N 347.462 2.765 30 40 EFEB N#C[C@@]1(NC(=O)Cc2ccc(Br)s2)CCSC1 72284761 NBOZUJLNNBXZAA-NSHDSACASA-N 331.260 2.569 30 40 EFEB C=CCc1cc(/C=N/N2C(=O)CSC2=S)cc(OC)c1OC 409328987 BQRIWDYNHOFPTE-LZYBPNLTSA-N 336.438 2.627 30 40 EFEB Cc1cc(C(=O)NCC(=O)N[C@@H](C#N)c2cccc(Cl)c2)c(C)o1 97162745 JCFHKZVHSIODAL-HNNXBMFYSA-N 345.786 2.661 30 40 EFEB C=CCN1C(=O)S/C(=C\Nc2cccc(C(=O)OCC)c2)C1=O 36636232 ZNSYOEGBWKTFKG-RAXLEYEMSA-N 332.381 2.998 30 40 EFEB C[C@H](NC(=O)C#Cc1ccc2c(c1)OCO2)c1csc(C2CC2)n1 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N#C[C@H](NC(=O)c1cccc2cn[nH]c12)c1cnn(-c2ccccc2)c1 71890187 MOFIPHFFJCMGDV-KRWDZBQOSA-N 342.362 2.743 30 40 EFEB N#Cc1cccc(C(=O)N2C[C@H](O)C[C@@H]2c2cc(F)ccc2F)c1 91761807 CNVIPCYSVQMXCG-RHSMWYFYSA-N 328.318 2.785 30 40 EFEB C=CCN1C(=O)/C(=C/c2cc(OC)c(O)c(OC)c2)SC1=S 14183160 QJVFGWRQVOJYHE-WQLSENKSSA-N 337.422 2.797 30 40 EFEB N#Cc1ccccc1CN(Cc1cccs1)[C@@H]1CCS(=O)(=O)C1 40474007 GRXFRXOJAZIECC-MRXNPFEDSA-N 346.477 2.809 30 40 EFEB CC(C)(C)c1ccc([C@H](C#N)NC(=O)COC[C@@H]2CCCO2)cc1 79095308 FGMVIZKUHFACRZ-IRXDYDNUSA-N 330.428 2.861 30 40 EFEB C[C@H](CC(=O)N(C)C)NC1CCC(Oc2ccccc2C#N)CC1 97032864 STFBWCXCDMXSCH-ODIFPOPNSA-N 329.444 2.705 30 40 EFEB CC[C@@H](C)CN(C)C(=O)NC1CCN(c2ccc(C#N)cn2)CC1 72277855 ALAIWOTXJZZYBU-CQSZACIVSA-N 329.448 2.610 30 40 EFEB CC(C)[C@H]1OCCC[C@@H]1CNC(=O)[C@H](C)Oc1ccc(C#N)cc1 107070908 FAMYNOXEJURBLX-YXJHDRRASA-N 330.428 2.893 30 40 EFEB N#C[C@@H](NC(=O)CNC(=O)c1ccsc1)c1cccc(Cl)c1 97162743 IYIKWXAJUXBJLX-CYBMUJFWSA-N 333.800 2.512 30 40 EFEB C=CCOc1ccc(/C=C2/SC(=O)N(CCC(=O)O)C2=O)cc1 2414026 URJUWZQVWLZVRG-JLHYYAGUSA-N 333.365 2.762 30 40 EFEB Cc1ccsc1CN(C)Cc1nc2ccccc2c(=O)n1CC#N 14284741 HCBDAYRHZDNACR-UHFFFAOYSA-N 338.436 2.922 30 40 EFEB C[C@H](C#N)Sc1ccc(S(=O)(=O)N2CCCCCC2)cn1 5702616 DBBIYEGKZXSELM-GFCCVEGCSA-N 325.459 2.650 30 40 EFEB Cc1nc(SCC(=O)Nc2c(C)nn(C)c2C)c(C#N)c(C)c1C 6980749 XEZRFUINBZAVKM-UHFFFAOYSA-N 343.456 2.960 30 40 EFEB COCCN(C)C(=O)[C@@H]1CCCN(c2ccc(C#N)c(Cl)c2)C1 95394812 ATANQLRJUIOQTM-CQSZACIVSA-N 335.835 2.533 30 40 EFEB O=C1CCc2cc(C(=O)/C=C/c3cnc(N4CCCC4)nc3)ccc2N1 69535195 NZVKGDCJHBDQQQ-XVNBXDOJSA-N 348.406 2.858 30 40 EFEB C=CCO[C@@H](C)C(=O)NCC[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 69848716 PMEYXAKXNWHNED-GJZGRUSLSA-N 340.464 2.731 30 40 EFEB CS(=O)(=O)Nc1cc(C(=O)Nc2cccc(C#N)c2)ccc1Cl 139476553 FWSXCOHGCXDVEG-UHFFFAOYSA-N 349.799 2.835 30 40 EFEB COCC[S@](=O)Cc1cccc(NC(=O)C2(C#N)CCCC2)c1 96408238 BPVGHHONCMJFHW-HSZRJFAPSA-N 334.441 2.604 30 40 EFEB CNC(=O)CC1CCN(C(=O)Nc2ccc(C(C)(C)C#N)cc2)CC1 96445887 ZUGAFQBXBMZGIJ-UHFFFAOYSA-N 342.443 2.868 30 40 EFEB N#Cc1c(F)cccc1NCCNC(=O)c1ccc(O)c(Cl)c1 53468620 PYEUQYXXCXTCQB-UHFFFAOYSA-N 333.750 2.898 30 40 EFEB Cc1sc(NC(=O)c2ccc(S(C)(=O)=O)cc2)c(C#N)c1C 21248247 CWZQXYCKFYGYRL-UHFFFAOYSA-N 334.422 2.892 30 40 EFEB Cc1cc(C(=O)N[C@H]2CC[C@H](Oc3nccnc3C#N)CC2)c(C)o1 252552589 UWTBWWQRGREOSN-HDJSIYSDSA-N 340.383 2.678 30 40 EFEB Cc1cc(C)n(-c2cc(N/N=C/c3ccc([N+](=O)[O-])cc3)ncn2)n1 4713131 JJBVZIMTDDSOIA-DJKKODMXSA-N 337.343 2.633 30 40 EFEB C=CCn1c(C)cc(C(=O)COc2c(OC)cccc2C(N)=O)c1C 24924657 GZDCNTHLSXXKOC-UHFFFAOYSA-N 342.395 2.660 30 40 EFEB C=CCOc1ccc(CN(C)C(=O)[C@@H](C)NC(=O)c2ccoc2)cc1 48181383 LUTFJFZXIPYKGJ-CQSZACIVSA-N 342.395 2.621 30 40 EFEB C[C@H](NC(=O)CO/N=C(\N)c1ccc(Cl)cc1)[C@H]1C[C@H]2CC[C@H]1C2 110509300 DSFBXIGIVQAVKA-LMRQPLJMSA-N 349.862 2.918 30 40 EFEB COc1ccc(C#N)cc1NC(=O)C[C@](C)(C(=O)O)c1ccccc1 64611661 OEDYVSNVEAPBOR-IBGZPJMESA-N 338.363 2.938 30 40 EFEB C=CCNC(=O)c1ccc([C@H]2SCC(=O)N2Cc2ccco2)cc1 5000689 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WAPMZYJKCIRAPV-UHFFFAOYSA-N 344.440 2.978 30 40 EFEB C=CC[C@@H]1N(c2cccc(Cl)c2)C(=O)[C@H]2[C@H](C(=O)O)[C@H]3C=C[C@]21O3 95495828 VUDFUINTGFJQPH-KQVLKZGSSA-N 345.782 2.656 30 40 EFEB COc1ccc([C@H]2C[C@@H](C)CN2S(=O)(=O)CC2(C#N)CC2)cc1 95944297 BOXJYZMFIFQOME-CZUORRHYSA-N 334.441 2.712 30 40 EFEB Cc1cc(C(=O)[C@@H](C#N)C(=O)c2nccn2C)c2ccc(F)cc2n1 102053266 KGGJSFJOKSTKOZ-CQSZACIVSA-N 336.326 2.621 30 40 EFEB CN(C)/C=C(\C(=O)c1ccc(F)cc1)c1nnnn1-c1ccccc1 5508813 QRHDIYKWFUFHCI-FOWTUZBSSA-N 337.358 2.587 30 40 EFEB COC(=O)C1=C(N)OC2=C(C(=O)CCC2)[C@@H]1c1ccc(Cl)cc1 62227 LXOSCEKXMYMLRW-ZDUSSCGKSA-N 333.771 2.804 30 40 EFEB N#Cc1cccnc1N1C[C@@H]2CN(c3nc4ccc(F)cc4o3)C[C@H]2C1 2086865917 ATRKVZVSCJDMII-ZIAGYGMSSA-N 349.369 2.806 30 40 EFEB N#Cc1cccc(OCc2ccc(S(=O)(=O)N3CCCC3)o2)c1 40536215 QQGFVVMMOBFROT-UHFFFAOYSA-N 332.381 2.515 30 40 EFEB CCOC(=O)C1=C(N)OC2=C(C(=O)CCC2)[C@@H]1c1cccc(F)c1 494939 LGJBRXHVCLGYHI-AWEZNQCLSA-N 331.343 2.680 30 40 EFEB O=c1c2[nH]c3ccccc3c2ncn1/N=C/c1cccc([N+](=O)[O-])c1 499703 YCKBJVJBQJHHGJ-DJKKODMXSA-N 333.307 2.668 30 40 EFEB Cc1ncc(C(=O)[C@@H](C#N)C(=O)Nc2cccc3ncccc23)s1 103783866 PINYEYIWNWYZBX-GFCCVEGCSA-N 336.376 2.961 30 40 EFEB CN(C)S(=O)(=O)c1ccc(C(=O)/C=C/c2cccc(O)c2)cc1 6544249 BZHMSTWAACVDLP-IZZDOVSWSA-N 331.393 2.539 30 40 EFEB N#Cc1ccc(NC(=O)COC(=O)CCc2ccco2)cc1Cl 7290527 XUGUGOKLRKNSDN-UHFFFAOYSA-N 332.743 2.919 30 40 EFEB C[C@@](C#N)(NC(=O)CNc1ccccc1OC(F)(F)F)C1CC1 22812158 CYGVUBDLBXZNTL-AWEZNQCLSA-N 327.306 2.806 30 40 EFEB C=CCN1C(=O)[C@](O)([C@@H]2CCc3ccccc3C2=O)c2ccccc21 1320431 UROHUNKSUJESGO-DYESRHJHSA-N 333.387 2.852 30 40 EFEB C=CCNCC(=O)Nc1ccccc1C(=O)Nc1ccc(F)cc1 12853260 YMBMDMXOZGMYQL-UHFFFAOYSA-N 327.359 2.792 30 40 EFEB C=CCNC(=O)CSc1nc2cc(C(=O)OCC)ccc2n1CC 13136161 HUYALMVKNLTTKF-UHFFFAOYSA-N 347.440 2.627 30 40 EFEB CCOc1ccc([C@H]2C3=C(CC(C)(C)CC3=O)Nc3nnnn32)cc1 6656949 UTHIEZVKQOYODM-INIZCTEOSA-N 339.399 2.730 30 40 EFEB C=C(C)CN(CC)C(=O)Nc1ccc(CCN2CCOCC2)cc1 69538816 TVJKDRUMNHVYSI-UHFFFAOYSA-N 331.460 2.991 30 40 EFEB C#CCOc1ccc(/C=C2\SC(=S)N(CC)C2=O)cc1OC 409004869 BWVFZMLDMSWKAC-UVTDQMKNSA-N 333.434 2.928 30 40 EFEB Cc1nc(C)c(S(=O)(=O)/N=C(\O)[C@H]2CC2(Cl)Cl)s1 83150619 YWCVWYSXOIWTAY-ZCFIWIBFSA-N 329.230 2.599 30 40 EFEB CCCNC(=O)c1cccc(C(=O)[C@H](C#N)c2nc(C)cc(C)n2)c1 96422129 AENIRRWKCMQXOQ-INIZCTEOSA-N 336.395 2.723 30 40 EFEB C=CCN1CC[C@]2(CN(C(=O)c3ccc(C)c(F)c3)C[C@H]2C)C1=O 248097174 IMXAOOKUKZCUGX-AUUYWEPGSA-N 330.403 2.631 30 40 EFEB CC(=O)[C@]1(O)CC[C@@H]2[C@H]3C[C@@H](O)C4=CC(=O)CC[C@]4(C)[C@@H]3CC[C@]21C 254383275 BDQPONLPDKZVNG-VMNLXTRJSA-N 346.467 2.809 30 40 EFEB N#Cc1ccc(NC(=O)CN2CCC([C@@H](O)c3ccccc3)CC2)cc1 24763609 WQEVPJYRISXGOC-NRFANRHFSA-N 349.434 2.942 30 40 EFEB COc1cc(/C=N/n2cnnc2)cc(Br)c1OC(C)C 134788 IFHRCKARRHWMEX-UBKPWBPPSA-N 339.193 2.719 30 40 EFEB COC(=O)c1ccc(Cl)cc1-c1ccc(/C=N/NC(N)=S)o1 574676 HMTCJIYYLGTVQM-REZTVBANSA-N 337.788 2.554 30 40 EFEB CCCOc1c(Br)cc(C=Nn2cnnc2)cc1OC 5708149 AOXYGXBGBNVOFH-UHFFFAOYSA-N 339.193 2.720 30 40 EFEB C=C1[C@H](O)[C@@]23CC[C@@H]1C[C@@H]2[C@]12C=[N+](CCO)C[C@](C)(CCC1)[C@H]2CC3 5493562 RXGJFLXLQIECAN-ZBWDDEHUSA-N 344.519 2.996 30 40 EFEB Cc1ccccc1OCCN(C)S(=O)(=O)c1ccc(C#N)cc1 14185946 JTZZRORGDRKTAH-UHFFFAOYSA-N 330.409 2.566 30 40 EFEB Cn1c(N2CCC(COc3cc(C#N)ccn3)CC2)nc2cccnc21 1888941704 IUJODEVLNGXDER-UHFFFAOYSA-N 348.410 2.530 30 40 EFEB COCCN1C(=O)C(O)=C(C(=O)c2cccs2)[C@@H]1c1ccccc1 6786414 WJTKKHVDFGWIQS-HNNXBMFYSA-N 343.404 2.973 30 40 EFEB CN1CCN(c2cc(-c3cc4ccccc4o3)oc(=O)c2C#N)CC1 1617032 CCIHOGDJTSIUNT-UHFFFAOYSA-N 335.363 2.676 30 40 EFEB CCCCc1nc(C)c(C(=O)NCCNc2ncccc2C#N)s1 53219568 WKBCRAPPFPDTEV-UHFFFAOYSA-N 343.456 2.903 30 40 EFEB C[C@H]1CN(c2nccnc2C#N)CCN1Cc1cccc(F)c1Cl 93189222 NVFDPVQVEPCBTE-LBPRGKRZSA-N 345.809 2.851 30 40 EFEB C=CCOc1ccc([C@H]2NC(=O)NC(C)=C2C(=O)OC(C)C)cc1 5042751 AIQMWIIAKPCWCM-MRXNPFEDSA-N 330.384 2.831 30 40 EFEB C=CCCO[C@H](C)C(=O)[C@@H](C#N)c1nc2cc(Cl)ccc2c(=O)[nH]1 65647972 BUXDQFMVHVFSAX-ZWNOBZJWSA-N 345.786 2.734 30 40 EFEB C=CCOC(=O)C1=C(C)Nc2ncnn2[C@@H]1c1cccc(Cl)c1 4716202 YJXJWDFPGBBMIK-CQSZACIVSA-N 330.775 2.950 30 40 EFEB C=CCNS(=O)(=O)Cc1ccc(NC(=O)C[C@H]2C=CCC2)cc1 69516745 WTDBBPMYCIADOP-AWEZNQCLSA-N 334.441 2.587 30 40 EFEB COC(=O)[C@H]1Oc2c(c(=O)oc3ccccc23)[C@@H]1c1ccc(C#N)cc1 85413222 BKGFTIYJADDZJS-YJBOKZPZSA-N 347.326 2.731 30 40 EFEB Cc1nnc(COc2ccc(NC(=O)C3(C#N)CCCC3)cc2)o1 75138411 YBJHTDBNUHTQCU-UHFFFAOYSA-N 326.356 2.980 30 40 EFEB C=C(C)CNC(=O)Nc1ccc(Cl)c(-n2nnnc2C2CC2)c1 189068592 JBNUTMLKBDTHQR-UHFFFAOYSA-N 332.795 2.891 30 40 EFEB COc1ccccc1C1(CNS(=O)(=O)CC2(C#N)CC2)CCCC1 96503187 KABUCRIPZRXBKF-UHFFFAOYSA-N 348.468 2.730 30 40 EFEB COc1cccc(NC(=O)N2CCc3c(sc(N)c3C#N)C2)c1 585139976 SFVLYJKCTGNOTE-UHFFFAOYSA-N 328.397 2.801 30 40 EFEB Cc1ccc(-n2nnnc2/C(=C/N(C)C)C(=O)c2ccccc2)cc1 5218349 BMVMUZVUBZPUAG-GHRIWEEISA-N 333.395 2.756 30 40 EFEB CN(C[C@@H]1COc2ccccc2O1)c1ccc([N+](=O)[O-])cc1C#N 6821591 ZEOONZFTIHUXFC-CQSZACIVSA-N 325.324 2.743 30 40 EFEB C[C@H]1CN(C(=O)Cn2cc(SCC#N)c3ccccc32)C[C@H](C)O1 4272479 MLAAEAFKZWEGFN-KBPBESRZSA-N 343.452 2.893 30 40 EFEB CN(C)c1ccc(/C=C/C(=O)[C@H](C#N)C(=O)Nc2ccccn2)cc1 102140958 OYEVQPKZNMAKJI-KXKDPZRNSA-N 334.379 2.508 30 40 EFEB N#C[C@H](C(=O)c1ccc(Cl)c(N2CCNC2=O)c1)c1ccccn1 76090017 UGCYIEHDAVNZSD-LBPRGKRZSA-N 340.770 2.755 30 40 EFEB CC[C@@H](O)CN(c1ccccc1)S(=O)(=O)c1ccc(C#N)cc1 60341627 QGQGXFAXSBZZBW-MRXNPFEDSA-N 330.409 2.524 30 40 EFEB C=CCc1cc(C(=O)Nc2ccc(C(N)=O)cc2)cc(OC)c1OC 8942605 UFNYBKNQMLSSHU-UHFFFAOYSA-N 340.379 2.784 30 40 EFEB C#CCSc1nnc(N2CCN(c3ccccc3OC)CC2)s1 23139893 QIKVQMHHEXUKKT-UHFFFAOYSA-N 346.481 2.599 30 40 EFEB CSCc1ccc(NC(=O)C(=O)NCc2cccc(C#N)c2)cc1 67496621 ZQWSZNRKQXHHLI-UHFFFAOYSA-N 339.420 2.676 30 40 EFEB COc1c(O)ccc(C=C2C(=O)c3ccccc3C2=O)c1[N+](=O)[O-] 408718130 LDHISKYTBDIOJS-UHFFFAOYSA-N 325.276 2.772 30 40 EFEB Cc1nn(CC(F)(F)F)c(C)c1CC(=O)N[C@H](C#N)C(C)(C)C 96486759 OPWYLBGTCIMLDO-GFCCVEGCSA-N 330.354 2.659 30 40 EFEB Cc1ccc(-c2nc3c(Cc4ccco4)c(N)nn3c(N)c2C#N)o1 17173064 PCVSVXZUJCGZNA-UHFFFAOYSA-N 334.339 2.518 30 40 EFEB CCc1c(C(=O)NC[C@@H](C)C#N)nnn1-c1ccc(OC(C)C)cc1 96420805 YYGCTGAZEPFHTI-ZDUSSCGKSA-N 341.415 2.506 30 40 EFEB N#Cc1ccc(CN2CCCN(C(=O)[C@@H]3C[C@H]3c3ccco3)CC2)cc1 71835188 AFDAVNIYFBMXFN-RTBURBONSA-N 349.434 2.989 30 40 EFEB CCCCCS(=O)(=O)/N=C(\O)c1cncc(Br)c1 95395496 TZFJZEHKKAGUHH-UHFFFAOYSA-N 335.223 2.669 30 40 EFEB C[C@H]1Oc2c(/C(O)=N/S(=O)(=O)c3cccnc3)cccc2[C@H]1C 75797340 VKQOYHNROQYOSC-WDEREUQCSA-N 332.381 2.660 30 40 EFEB C[C@@H](Oc1cccc(Br)c1)C(=O)N(C)[C@H](C)CC#N 96426406 HKYTXTIOCBDNMI-GHMZBOCLSA-N 325.206 2.977 30 40 EFEB CC[C@@H](Cc1cccc(Br)c1)/C(O)=N/S(C)(=O)=O 96409738 GAALMPYRTUHWAX-JTQLQIEISA-N 334.235 2.934 30 40 EFEB N#Cc1nnc2ccccc2c1NC[C@@H]1CCCO[C@H]1c1cc[nH]n1 591635715 LHONUWJULJZALC-KPZWWZAWSA-N 334.383 2.804 30 40 EFEB CC(=O)c1ccc(C#N)cc1N(C)C[C@H](O)COCc1ccccc1 95469198 FLLYJAZYDGLRHE-SFHVURJKSA-N 338.407 2.775 30 40 EFEB CCc1cc(OCC2CCN(c3ccnc(C#N)c3)CC2)nnc1C 1888866558 MDJYBDOUJRUCHL-UHFFFAOYSA-N 337.427 2.910 30 40 EFEB Cc1nc(N2CC[C@@H](C(=O)NC(C)(C)C)C2)c(C#N)c(C)c1Cl 1889074651 IGXVSRPAQQIYTK-GFCCVEGCSA-N 334.851 2.965 30 40 EFEB C=CCn1c(C)nnc1SCCC(=O)Nc1ccccc1[N+](=O)[O-] 20425450 XJAXGOKGISNYGE-UHFFFAOYSA-N 347.400 2.802 30 40 EFEB CC(=O)N1CCN(c2oc(/C=C/c3ccc(F)cc3)nc2C#N)CC1 21799797 LILDGMUYXFSNAM-QPJJXVBHSA-N 340.358 2.524 30 40 EFEB C#CCOc1ccc(NC(=O)NC[C@@](C)(O)c2ccc(C)o2)cc1 76069954 MJQKXTXRIQHLCY-GOSISDBHSA-N 328.368 2.629 30 40 EFEB N/C(=N/OCC(=O)Nc1ccc(N2CCCC2)cc1)c1cccs1 84436783 AQNPJBOPKAIKIA-UHFFFAOYSA-N 344.440 2.624 30 40 EFEB C=CCSc1nnc(NC(=O)[C@@H]2COc3ccccc3O2)s1 6602672 RIWYYVVAYZAYCS-NSHDSACASA-N 335.410 2.595 30 40 EFEB Cc1noc(C)c1CN1CCN(Cc2cn3ccccc3c2C#N)CC1 69896198 LVXXNXRCMCMRNO-UHFFFAOYSA-N 349.438 2.734 30 40 EFEB Cc1cc([C@@H]2CCCN2C(=O)COc2ccc(CC#N)cc2)no1 71828382 HSQRPQFMWSHHDC-KRWDZBQOSA-N 325.368 2.792 30 40 EFEB O=C1CC[C@@]2(c3ccc(F)cc3)SC[C@H](/C(O)=N/n3cccc3)N12 85446972 FCVPYCAGYOUGOG-PBHICJAKSA-N 345.399 2.938 30 40 EFEB Cc1nn(C)c(C)c1[C@@H]1CCCN1C(=O)COc1ccc(C#N)cc1 75129958 KQTZBEFLGIRICU-KRWDZBQOSA-N 338.411 2.651 30 40 EFEB COc1cc([N+](=O)[O-])cc(C=C2C(=O)c3ccccc3C2=O)c1O 408911798 DKMCVOICQVXLBX-UHFFFAOYSA-N 325.276 2.772 30 40 EFEB COc1cc(/C=C2\S/C(=N/N=C/c3ccco3)NC2=O)ccc1O 32594732 RFCOJTCRNDQBTI-LIFAMERMSA-N 343.364 2.588 30 40 EFEB C=CCOc1cc(OC)ccc1C(=O)N1CCC(N2CCCC2)CC1 125216376 OJMPMIKSHIFUPQ-UHFFFAOYSA-N 344.455 2.960 30 40 EFEB N#Cc1ccc(N2CCC(NC(=O)CCc3ccccc3)CC2)cn1 97227376 WCAQTZHZNSFDQO-UHFFFAOYSA-N 334.423 2.671 30 40 EFEB N#CCCC[C@H](NC(=O)N1CC(F)(F)C[C@H]1CO)c1ccccc1 590942168 FKFXRNGYNCXXLC-GJZGRUSLSA-N 337.370 2.833 30 40 EFEB N#Cc1ccsc1NC(=O)[C@H]1CC(=O)N(Cc2ccccc2)C1 13008907 PYJOYKLUBQMIHN-AWEZNQCLSA-N 325.393 2.607 30 40 EFEB CC/N=C1/S[C@H](CC(=O)Nc2ccccc2CC)C(=O)N1CC 13471663 IDPDWDDFXZVNMB-IAFNSTAXSA-N 333.457 2.917 30 40 EFEB C[C@@H](Oc1ccc(C#N)cc1)C(=O)Oc1ccc(-c2nnco2)cc1 14794704 YIZSIQGQPQQSLB-GFCCVEGCSA-N 335.319 2.981 30 40 EFEB N#Cc1ccc(NC(=O)N2CCNC(=O)C[C@@H]2c2ccccc2)cc1 40554333 VZOQVKJSBDQBQR-QGZVFWFLSA-N 334.379 2.653 30 40 EFEB C=C(C)CN1CCN([C@H](C(=O)O)c2c(C)[nH]c3ccccc23)CC1 20724961 BXMZLWBNRMJNRJ-SFHVURJKSA-N 327.428 2.796 30 40 EFEB C=CCn1c(C)nnc1SCC(=O)Nc1cc(C(C)(C)C)nn1C 53423515 TZIDSDXCBZSOBL-UHFFFAOYSA-N 348.476 2.534 30 40 EFEB N#Cc1c(-c2ccc(Cl)cc2)ccn2nc(CCC(=O)O)nc12 4489572 QLUXBAOVNJWUPD-UHFFFAOYSA-N 326.743 2.939 30 40 EFEB O/N=C/c1cn(C[C@H](O)Cn2cnc3ccccc32)c2ccccc12 101147643 NCEVNFKMHBPAAS-PZEXIZOFSA-N 334.379 2.860 30 40 EFEB CC(=O)N1CCc2cc(N[C@H](C)C(=O)Nc3cccc(C#N)c3)ccc21 12563561 XQVLKFXTXTYBKV-CYBMUJFWSA-N 348.406 2.906 30 40 EFEB N#Cc1ccc(N2CCN(c3cccc(C(F)(F)F)n3)CC2)nc1 58304831 WCBYOVIPHMLUCW-UHFFFAOYSA-N 333.317 2.694 30 40 EFEB N#Cc1cccc(NC(=O)CNc2ccccc2C(=O)NC2CC2)c1 10753755 VSXALAKYSILWIK-UHFFFAOYSA-N 334.379 2.501 30 40 EFEB C/C(=C\C(O)=N\S(=O)(=O)c1ccc2c(c1)OCCCO2)C1CC1 48536512 KTQQKYCAZOGDLT-PKNBQFBNSA-N 337.397 2.849 30 40 EFEB N#Cc1ccc(C(=O)OCC(=O)Nc2ccc(F)cc2F)c(F)c1 409200485 HOXRKEMDQJWBOG-UHFFFAOYSA-N 334.253 2.771 30 40 EFEB Cc1cc([C@H]2CCCN2C(=O)[C@@H](C)Oc2cccc(C#N)c2)on1 71827039 RWQZSWSEKKYPTA-CZUORRHYSA-N 325.368 2.986 30 40 EFEB N#Cc1ccc(Oc2cccc(C(=O)N[C@H]3CCCCNC3=O)c2)cc1 69519994 NYESOLJRQUNXQI-SFHVURJKSA-N 349.390 2.749 30 40 EFEB CCCCCC[C@H](C)NC(=O)COCC(=O)Nc1ccc(C#N)cc1 9805675 CXRQPMHIUIAPFJ-HNNXBMFYSA-N 345.443 2.988 30 40 EFEB N#Cc1nccnc1NCCOc1ncc(C(F)(F)F)cc1Cl 78338525 DADDRWYZFCNSSY-UHFFFAOYSA-N 343.696 2.906 30 40 EFEB CCCc1ccc(S(=O)(=O)/N=C(\O)[C@H]2C[C@@H]2c2cnn(C)c2)cc1 78556470 MOWKTIBQOBJVBI-CVEARBPZSA-N 347.440 2.822 30 40 EFEB O=C(NCCCO)c1ccc(NCC#Cc2ccc(Cl)cc2)cc1 85277985 UPMRKLUVIGKDSN-UHFFFAOYSA-N 342.826 2.916 30 40 EFEB C=C(C)CN1CCC(NC(=O)N2CCS[C@H](C(C)C)C2)CC1 96439936 KPUNBQRYJHHESZ-INIZCTEOSA-N 325.522 2.810 30 40 EFEB CCn1cc(/C(N)=N/O)c(=O)c2cc(F)c(N3CCCCCC3)cc21 85346191 QSPVBNNMIFLUEY-UHFFFAOYSA-N 346.406 2.635 30 40 EFEB N#Cc1cccc(CCNC(=O)N2CCC[C@@H](N3CCCC3)CC2)c1 253430108 HXDBYZDKUGAGFT-LJQANCHMSA-N 340.471 2.761 30 40 EFEB Cc1csc([C@@H](C#N)C(=O)c2csc(-c3cnccn3)n2)n1 76020412 DCXLBWUUWCUBFR-VIFPVBQESA-N 327.394 2.855 30 40 EFEB NC(=O)c1c(/N=C2/C(=O)Nc3ccccc32)sc2c1CCCC2 12377198 JRNMVWRMMZYLHI-UHFFFAOYSA-N 325.393 2.799 30 40 EFEB C=CC/N=C1\S[C@H](CC)C(=O)N1S(=O)(=O)c1ccc(C)cc1 18191292 ZJDWCHRJZCPTOP-JFVSRZABSA-N 338.454 2.580 30 40 EFEB C[C@@H](Oc1ccc(F)cc1)c1ccnc2nc(/N=C/N(C)C)nn12 100327561 RSIZKHDFZMABKW-VURRPDKYSA-N 328.351 2.625 30 40 EFEB N#Cc1ccc(CSc2nnc(-c3ccccc3F)n2N)cc1 524127 QSTMCLDMUSGLMB-UHFFFAOYSA-N 325.372 2.962 30 40 EFEB C=CCNC(=O)[C@H](C)N1CCC(Oc2ccccc2OCC)CC1 58175342 ZMTHEUFNUQJDMZ-HNNXBMFYSA-N 332.444 2.619 30 40 EFEB COc1cccc(C/C(O)=N/S(=O)(=O)c2cccc(C(C)=O)c2)c1 45098087 PLUMQQFMBUKVNO-UHFFFAOYSA-N 347.392 2.786 30 40 EFEB CCOc1ccccc1N1C[C@H](C(=O)Nc2ccc(C#N)cc2)CC1=O 3359474 VDUKKHUOJRNTPU-OAHLLOKOSA-N 349.390 2.949 30 40 EFEB Cc1ccc([C@H](CNCc2cccc(C#N)c2)N2CCOCC2)o1 48301110 ZKZHUNGTKNVWLQ-SFHVURJKSA-N 325.412 2.623 30 40 EFEB COC(=O)COc1ccc(/C(C)=N/Nc2ccc(C(=O)O)cc2)cc1 62683618 OZBPIMZNKFPRCN-XDHOZWIPSA-N 342.351 2.773 30 40 EFEB CN(CCC#N)C(=O)CSc1nc(/C=C/c2cccs2)n[nH]1 12923359 HBEMPLXYBJKHCV-AATRIKPKSA-N 333.442 2.501 30 40 EFEB Cc1nnc(SCC(=O)N[C@@](C)(C#N)C(C)C)n1-c1ccccc1 5894530 PREWUOYETKKBHG-KRWDZBQOSA-N 343.456 2.722 30 40 EFEB C/C(=N/NS(=O)(=O)c1ccc(C)cc1C)c1ccc2c(c1)OCO2 15934590 AYMUHYISIVMFGJ-AQTBWJFISA-N 346.408 2.735 30 40 EFEB COc1ccc(CN(C)S(=O)(=O)c2ccccc2C#N)cc1F 8401525 RQDDSYVGKMXNFC-UHFFFAOYSA-N 334.372 2.527 30 40 EFEB N#Cc1ccc(Cl)cc1N1C(=O)c2ccc([N+](=O)[O-])cc2C1=O 409298188 MKEUACQHBAUESF-UHFFFAOYSA-N 327.683 2.920 30 40 EFEB N#Cc1cc(N[C@@H]2CN(CC(F)(F)F)C[C@H]2c2ccccc2)ncn1 521394705 NBVDEVQMYIZJFJ-LSDHHAIUSA-N 347.344 2.790 30 40 EFEB COc1ccc([C@@H](C)NC(=O)CSc2ncccc2C#N)cc1 71326956 BHAITUAEONAIOF-GFCCVEGCSA-N 327.409 2.931 30 40 EFEB Cc1ccc(C(=O)N2CCN(CCCSCC#N)CC2)cc1F 80631457 OHRSLFJVGPJSBR-UHFFFAOYSA-N 335.448 2.539 30 40 EFEB Cc1nn(CCOc2ccc(C#N)cc2)c(C)c1[C@H]1CCCC(=O)N1 596302082 POIIGEKNEZZNFU-QGZVFWFLSA-N 338.411 2.792 30 40 EFEB C=CCNC(=O)[C@H](C)Nc1ccc(N2C[C@H](C)O[C@H](C)C2)c(F)c1 56177765 DLSXRQHDSDBUKT-MJBXVCDLSA-N 335.423 2.542 30 40 EFEB COc1ccc([C@@H]2NC(=O)C(O)=C2C(=O)c2ccccc2)cc1OC 5817935 TZZUMCUANIDMLE-INIZCTEOSA-N 339.347 2.570 30 40 EFEB biogenic Cc1ccnc(OC[C@]23CCC[C@@H]2CN(c2ccc(C#N)nc2)C3)n1 1888866958 IQCMWYVSHFCGHI-DNVCBOLYSA-N 335.411 2.737 30 40 EFEB N#Cc1ccc2c(O)c(S(=O)(=O)c3ccc(F)c(F)c3)cnc2c1 15829343 STHYHZDIWWDETK-UHFFFAOYSA-N 346.314 2.923 30 40 EFEB CCOc1ccc(/C=N/NS(=O)(=O)c2ccc(C)cc2)cc1OC 342376 BZMKOCXVWQIPGE-LDADJPATSA-N 348.424 2.715 30 40 EFEB COc1ccccc1N(C[C@@H]1CO1)S(=O)(=O)c1ccc(C)cc1 380659 RISDRHYQFDAKLF-CQSZACIVSA-N 333.409 2.598 30 40 EFEB CNCCCc1n[nH]c(NC(=O)c2cc(C)c(C)cc2Cl)c1C#N 97237451 RBVXSECKSANREM-UHFFFAOYSA-N 345.834 2.956 30 40 EFEB NC(=S)N/N=C/c1cn(-c2ccccc2)nc1-c1ccc(F)cc1 3206867 FYJDOTOGCHUZPY-KEBDBYFISA-N 339.399 2.846 30 40 EFEB N#Cc1ccc(NC(=O)N2CCN(c3ncccc3Cl)CC2)cc1 58023004 WXTMLYAGRAZIKW-UHFFFAOYSA-N 341.802 2.961 30 40 EFEB NC(=O)CCCN/C(=C1\C=C(F)C=CC1=O)c1ccc(Cl)cc1 100037087 DWEQWXSKOHHBNT-SAPNQHFASA-N 334.778 2.899 30 40 EFEB world Cc1cc([C@H](C#N)C(=O)c2ccc(CN3CCCC3=O)cc2)nc(C)n1 49405189 AROKNDZMADXKTC-KRWDZBQOSA-N 348.406 2.706 30 40 EFEB N#Cc1ccc(OCCSCc2cc(=O)n3ccsc3n2)cc1 14117988 JYOCZYDRJUXYJF-UHFFFAOYSA-N 343.433 2.940 30 40 EFEB CC1(C)CC(N/C=C2/C(=O)Oc3ccccc3C2=O)CC(C)(C)N1 19791696 VYPJRFFCMGTDSY-SDNWHVSQSA-N 328.412 2.571 30 40 EFEB COCCN1C(=O)C(O)=C(C(=O)c2ccco2)[C@H]1c1ccc(F)cc1 4936677 KTSLUTHLWIYOQV-OAHLLOKOSA-N 345.326 2.643 30 40 EFEB CC[C@@H](C#N)NC(=O)c1ncc(Br)cc1Br 97115698 JAPIKIFPIFMQSK-ZETCQYMHSA-N 347.010 2.639 30 40 EFEB C#CCN1CCC(C(=O)NCC(C)(C)N[C@H](C)c2ccccc2)CC1 69892508 DUXLYKKONRQLJV-QGZVFWFLSA-N 341.499 2.577 30 40 EFEB CCS(=O)(=O)Nc1ccc(C(=O)/C=C/c2c(C)noc2C)cc1 84811622 FQMZDYMEAWKYJU-MDZDMXLPSA-N 334.397 2.949 30 40 EFEB N#CC1(C(=O)N[C@@H]2CCc3nnc(-c4ccccc4)n3C2)CCCCC1 95998181 OKEDDEOHFXNRCZ-MRXNPFEDSA-N 349.438 2.850 30 40 EFEB N#Cc1cc(NCCNC(=O)c2ccc(O)cc2)nc2ccccc12 75094608 MCAWHRGRLBWVIS-UHFFFAOYSA-N 332.363 2.654 30 40 EFEB COc1ccc(-c2cc(C3CCNCC3)c(C#N)c(N)n2)c(OC)c1 71765559 BMGPGXKYCFHKIV-UHFFFAOYSA-N 338.411 2.687 30 40 EFEB CCOC(=O)c1sc(OCc2ccc(OC)cc2)c(C#N)c1N 225850663 GBBQQKRMAZZXCI-UHFFFAOYSA-N 332.381 2.966 30 40 EFEB N#Cc1nccnc1N1C[C@@H](CCN2CCCC2=O)c2ccccc21 81030233 DEYMFYYZFFXOKY-CQSZACIVSA-N 333.395 2.596 30 40 EFEB C/N=C(/NCCC1=CCOCC1)N[C@@H]1C[C@@H](C)N(c2ccccc2)C1 96484222 KNSNUABLUXWLPB-SJLPKXTDSA-N 342.487 2.556 30 40 EFEB Cn1nc(C(=O)N2CCC[C@@](C#N)(c3ccccn3)C2)c2ccccc21 529519318 QCEORECHAOCFDH-FQEVSTJZSA-N 345.406 2.666 30 40 EFEB CC1(C)OB(c2c(F)cccc2I)OC1(C)C 208395609 LJQSMJBFVMVDOY-UHFFFAOYSA-N 347.964 2.730 30 40 EFEB CN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@H]1c1ccc([N+](=O)[O-])cc1 6198690 NRXMEFAPUHIVNK-OAHLLOKOSA-N 338.319 2.803 30 40 EFEB COc1ccc(CNC(=O)[C@@H](C)Oc2cccc(C#N)c2)cc1OC 52438508 ACJYBZYPXDIBQM-CYBMUJFWSA-N 340.379 2.659 30 40 EFEB Cn1cnnc1[C@@H]1CCCN(c2ccc(Br)cc2C#N)C1 97083790 ZTBGMRBTLVHXKK-LLVKDONJSA-N 346.232 2.833 30 40 EFEB CN1/C(=C\C(=O)CSc2nncn2C)C(C)(C)c2ccccc21 12483321 DKZOTYBGDFPILF-DHDCSXOGSA-N 328.441 2.788 30 40 EFEB CCc1cnc(CN(C)[C@@H]2CCN(Cc3ccc(F)cc3C#N)C2)o1 78891941 RODJXZQFASVRDC-QGZVFWFLSA-N 342.418 2.954 30 40 EFEB Cc1nn(CCC#N)c(C)c1CCC(=O)N1CCOc2ccccc21 44919584 JJIDBIZHCFMWMD-UHFFFAOYSA-N 338.411 2.772 30 40 EFEB C#CCN(Cc1ccc(C)cc1)C(=O)c1csc(NC(C)=O)n1 58325709 OTJZNZRHDVXWBO-UHFFFAOYSA-N 327.409 2.686 30 40 EFEB CC1=CC(=O)[C@H](C(=O)/C=C/c2ccccc2Br)C(=O)O1 3543743 DMSPCRKFINVEPC-UZYOAWRESA-N 335.153 2.677 30 40 EFEB CCOC(=O)c1sc(N/N=C/c2cccc(OC)c2O)nc1C 4070545 CERXJEMISYAFSO-LZYBPNLTSA-N 335.385 2.788 30 40 EFEB Cc1ccccc1/N=C/[C@@H]1C(=O)NC(=O)N(c2ccc(F)cc2)C1=O 4738535 NUJRKDRXOHQGPO-DGURAOSJSA-N 339.326 2.736 30 40 EFEB C[C@H]1CC[C@H](C)N1CCN1CCN(Cc2ccc(C#N)cc2)CC1 70036958 XLQYKAVTBNPIGZ-ROUUACIJSA-N 326.488 2.549 30 40 EFEB Cc1cc(C)n(C[C@@H]2CCCN2CC(=O)Nc2sccc2C#N)n1 69919454 MRNWCFXZYCXTHY-HNNXBMFYSA-N 343.456 2.536 30 40 EFEB Cc1nn(-c2ccccc2)c(COc2ccccc2C(N)=O)c1C#N 18266074 OYXKYHNTLWUIPI-UHFFFAOYSA-N 332.363 2.730 30 40 EFEB CC(C)CNC(=O)N1CCC[C@@H](C(=O)N[C@@H](C#N)c2ccsc2)C1 95400522 GOKXSVBGFQZSGY-HIFRSBDPSA-N 348.472 2.507 30 40 EFEB C=CCn1ncc(CN2[C@H]3CC[C@@H]2c2cnc4cc(C)nn4c2C3)c1C 72336953 XFQKICOBUAJGBL-FUHWJXTLSA-N 348.454 2.990 30 40 EFEB N#Cc1cc(Br)ccc1NCC1CCS(=O)(=O)CC1 96008542 CSERWBBDSJEQDH-UHFFFAOYSA-N 343.246 2.557 30 40 EFEB C/C(=N\Nc1cc(-n2cc(C)cn2)ncn1)c1ccc([N+](=O)[O-])cc1 4595727 JCGUDFSVCKKIJS-UDWIEESQSA-N 337.343 2.715 30 40 EFEB C=C(C)CN1CCN([C@H](C(=O)O)c2c[nH]c3ccc(C)cc23)CC1 20736655 WQMAKSQIBGDYDO-SFHVURJKSA-N 327.428 2.796 30 40 EFEB CCn1c(C2=C3NC(=O)c4ccccc4N3CC2=O)nc2ccccc21 102230674 HEJPKVXVFNCMIB-UHFFFAOYSA-N 344.374 2.558 30 40 EFEB COc1cc(-c2c(C#N)c(N)nc3c2CCCC3)cc([N+](=O)[O-])c1O 107735739 DHXDCIRKQGFUOT-UHFFFAOYSA-N 340.339 2.704 30 40 EFEB CC(=O)Nc1nc(C(=O)OCc2cn3ccccc3c2C#N)cs1 43768338 SSRGJVALTVTQSC-UHFFFAOYSA-N 340.364 2.583 30 40 EFEB C[C@@H](c1nc(-c2ccc(Cl)cc2)no1)N1CCN(CC#N)CC1 58268240 VTSWDYKRHBQXNY-LBPRGKRZSA-N 331.807 2.592 30 40 EFEB CCCCCCOc1ccccc1/C=N/Nc1nc(=O)[nH]nc1C 4422687 XZRDXGOBIGGBBM-LDADJPATSA-N 329.404 2.878 30 40 EFEB CCN(c1ccccc1C(=O)OC)S(=O)(=O)c1cccc(C#N)c1 70018620 MMDWDXKNLWVNCH-UHFFFAOYSA-N 344.392 2.560 30 40 EFEB Cc1ccc(N=C[C@@H]2C(=O)NC(=O)N([C@@H]3C[C@H]4CC[C@H]3C4)C2=O)cc1 408527563 OVHWNYTXEUQLTK-WMHQRMGPSA-N 339.395 2.581 30 40 EFEB Cc1nnc(-c2cccc(C(=O)NCCOc3ccc(C#N)cc3)c2)o1 74029368 RUGDAZIVWRNTQW-UHFFFAOYSA-N 348.362 2.726 30 40 EFEB CCc1nc2n(n1)CCC[C@@H]2NC(=O)Nc1ccc(F)cc1C#N 88393258 YBHPASTVOMBNDA-ZDUSSCGKSA-N 328.351 2.508 30 40 EFEB C=CCN1CCC[C@@]12CCCN(S(=O)(=O)c1ccccc1F)C2 96214815 RTIITZBJLHVBFN-KRWDZBQOSA-N 338.448 2.631 30 40 EFEB Cc1ccn(CC(=O)N[C@H](C)c2ccc(Cl)cc2)c(=O)c1C#N 97114969 PAWKWLDIDLPNJZ-GFCCVEGCSA-N 329.787 2.559 30 40 EFEB C=CCOCC(COCC=C)(COCC=C)NC(=O)OC(C)(C)C 95917751 VMKVXUCJHJZXAQ-UHFFFAOYSA-N 341.448 2.858 30 40 EFEB CC(C)CC[C@@]1(C)NC(=O)N(CCOc2ccc(C#N)cc2)C1=O 40059274 WIPONNMXWFREQJ-GOSISDBHSA-N 329.400 2.684 30 40 EFEB CCOC(=O)c1sc(N)c(C#N)c1COc1ccccc1C#N 21245426 ZPXGIHUHUIYHIP-UHFFFAOYSA-N 327.365 2.829 30 40 EFEB CC(=O)C1=C(C)NC(=S)N[C@H]1c1ccc(Br)cc1 2490546 LHKBFVBCKFOSTM-LBPRGKRZSA-N 325.231 2.831 30 40 EFEB N#C[C@@H](C(=O)/C=C/c1cccc2ccccc12)C(=O)NC[C@@H]1CCCO1 103502361 BZJUYIBJWMJIFM-UKMAJIJPSA-N 348.402 2.857 30 40 EFEB COC(=O)c1sc(NC(=O)COc2ccc(F)cc2)c(C#N)c1C 13327761 YPXOJQDBNFHBQH-UHFFFAOYSA-N 348.355 2.871 30 40 EFEB C[C@@H](c1nc(C2CC2)no1)N1CC[C@H](CNc2ncccc2C#N)C1 65512111 FCANELVTWRYIEO-QWHCGFSZSA-N 338.415 2.709 30 40 EFEB N#CCCN(CCC(F)(F)F)S(=O)(=O)c1cncc(Cl)c1 95437330 LNEWVGGGZGJESU-UHFFFAOYSA-N 341.742 2.592 30 40 EFEB O=S1(=O)C[C@@H](N2CCCCC2)C2=C(O1)c1ccccc1SC2 31750899 WNHLTMYNRXPXAT-CQSZACIVSA-N 337.466 2.718 30 40 EFEB COc1ccc(CCC(=O)NCC#CCN(C(C)C)C(C)C)cc1 75164489 JTNDYTIAMSUDDJ-UHFFFAOYSA-N 330.472 2.866 30 40 EFEB COC(=O)c1ccc(CSc2nc(N)c(C#N)c(CC(C)C)n2)o1 225893636 BUQPJBUAJFRNSB-UHFFFAOYSA-N 346.412 2.801 30 40 EFEB C[C@@H](c1ccc(Br)cc1)N1CCN(C(=O)CC#N)CC1 97097352 BKAXBDYDPRSVPH-LBPRGKRZSA-N 336.233 2.568 30 40 EFEB N#Cc1ccc(N2CCC[C@@H]2C(=O)NC2CC2)c(Br)c1 97104403 GXLWDCRFIBCNMI-CQSZACIVSA-N 334.217 2.568 30 40 EFEB N#CC1(C#N)[C@@H](c2ccncc2)O[C@@]23CCCC[C@H]2[C@]1(C#N)C(=N)O3 5054283 KPADPFKCWHSRJR-MJSCVDMRSA-N 333.351 2.590 30 40 EFEB COc1ccc(/N=C2/NC(=O)/C(=C/c3ccc(O)c(O)c3)S2)cc1 7275629 NECVQCNYCJSPTK-DHDCSXOGSA-N 342.376 2.998 30 40 EFEB N#Cc1ccc(COC(=O)c2ccc3c(c2)NC(=O)[C@@H]2CCCN32)cc1 3412626 XZKPCOXFNVRCIU-SFHVURJKSA-N 347.374 2.836 30 40 EFEB N#Cc1ccc(N2C[C@@H]3CCN(CCOc4ccccc4)[C@H]3C2)nc1 2086884665 GRVQVVGXUIAWOP-HKUYNNGSSA-N 334.423 2.543 30 40 EFEB N#Cc1ccc(CN2CCC(Cn3nc(C4CC4)ccc3=O)CC2)cc1 585501706 CSYHHWANYWUQGV-UHFFFAOYSA-N 348.450 2.905 30 40 EFEB N#Cc1ccccc1CN1C(=O)N[C@@]2(CCCc3ccccc32)C1=O 3364547 UXLCAGLJPHJPKL-HXUWFJFHSA-N 331.375 2.842 30 40 EFEB N#C[C@H](C(=O)Nc1ccccn1)C(=O)c1ccc(OCC2CC2)cc1 104055521 OOZDXRPPQLANQS-INIZCTEOSA-N 335.363 2.832 30 40 EFEB N#CCSCC(=O)N1CCC[C@@H]1[C@@H]1CCCN1Cc1ccccc1 108185261 XQTRYDASRNALLO-ZWKOTPCHSA-N 343.496 2.899 30 40 EFEB O=C1NC(=O)N(c2ccccc2F)C(=O)[C@H]1C=Nc1ccc(F)cc1 408528261 VAHDDYVPZUSZDC-LBPRGKRZSA-N 343.289 2.566 30 40 EFEB N#Cc1ccc(CN2CCCN(Cc3nnc(C4CC4)o3)CC2)cc1 71824684 BRCJYOFANSHDCY-UHFFFAOYSA-N 337.427 2.527 30 40 EFEB C[C@H](c1ccccn1)N1CCN(c2ccc([N+](=O)[O-])c(C#N)c2)CC1 97145516 QRVYKCBNWXJVDD-CQSZACIVSA-N 337.383 2.745 30 40 EFEB N#Cc1ccc(S(=O)(=O)CCN2CCC[C@@H]2c2ccncc2)cc1 89781005 NFEJCWMTHZGIQT-GOSISDBHSA-N 341.436 2.564 30 40 EFEB N#Cc1cc(F)ccc1CN1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 89768447 KYLHHWBESZGFND-HNNXBMFYSA-N 341.346 2.687 30 40 EFEB CCNC(=S)N/N=C\c1cc(C)n(-c2ccc([N+](=O)[O-])cc2)c1C 33696434 HGYIIXVENRNHLC-ZDLGFXPLSA-N 345.428 2.820 30 40 EFEB CC1(C)CC(=O)C2=C(C1)Nc1c(C(N)=O)cnn1[C@@H]2c1ccccc1 44917723 RFBXTUKZEAYGHZ-MRXNPFEDSA-N 336.395 2.640 30 40 EFEB CC/N=C(/NCc1nc(C)c(C)o1)N(C)Cc1cccc(OC)c1 96406089 DTIRAPLPWVJPOW-UHFFFAOYSA-N 330.432 2.898 30 40 EFEB CCO[C@H]1C[C@@H](NC2CCN(c3ccc(C#N)cn3)CC2)C1(C)C 96493390 YSUPNIFPKXLKQB-SJORKVTESA-N 328.460 2.715 30 40 EFEB C=CCCS(=O)(=O)N1CCC[C@@H](c2nc3ccc(C)cc3[nH]2)C1 96500826 CMCSXPJMQQVBJX-CQSZACIVSA-N 333.457 2.957 30 40 EFEB N#Cc1ncccc1N1CCC(Cn2cnc3ccccc3c2=O)CC1 1776008076 XCQLEPPXFCPALL-UHFFFAOYSA-N 345.406 2.580 30 40 EFEB N#Cc1c(N)c(C#N)c(-c2ccccc2)c2c1CCC1(C2)OCCO1 16492369 GGCSQTSVBUBPTK-UHFFFAOYSA-N 331.375 2.911 30 40 EFEB COc1ccc(S(=O)(=O)Nc2ccccc2C#N)c2cccnc12 4771540 FDKULQDQBVURBN-UHFFFAOYSA-N 339.376 2.916 30 40 EFEB N#C[C@@H](C(=O)c1ccc(N2CCNC2=O)cc1)c1nc2ccccc2o1 41542116 NNEADJWXBMIHON-AWEZNQCLSA-N 346.346 2.847 30 40 EFEB N#CCCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)O)cc1F 76081940 ZSQLRTIMSFRNKI-UHFFFAOYSA-N 348.355 2.633 30 40 EFEB CC1(C)OC(=O)C(=CNc2sc3c(c2C#N)CCCC3)C(=O)O1 520392 GHAIVZCHJROPPW-UHFFFAOYSA-N 332.381 2.630 30 40 EFEB N#Cc1ccc(C(=O)N2CCc3c(Br)ccc(F)c3C2)[nH]1 97374382 QSHVROWGTXYZSA-UHFFFAOYSA-N 348.175 2.986 30 40 EFEB CN(C)/C=C1/C(=O)c2ccccc2N(Cc2ccccc2)S1(=O)=O 57352141 FGZBCFJIMDSXPD-LGMDPLHJSA-N 342.420 2.622 30 40 EFEB N#C[C@H](C(=O)C1=NO[C@@H](c2ccccc2)C1)c1nnc2n1CCCCC2 58267300 AJNBREJZRUERRR-GDBMZVCRSA-N 349.394 2.698 30 40 EFEB C=CCOc1ccc(C(=O)Nc2cccc(-c3nnnn3C)c2)cc1 36395793 HWUKLGSJSUALBR-UHFFFAOYSA-N 335.367 2.694 30 40 EFEB CCCc1[nH]n(-c2nc3ccccc3s2)c(=O)c1/C=N/CCCO 5061563 DAMYDQRNBSXMHZ-WOJGMQOQSA-N 344.440 2.529 30 40 EFEB CCc1c(C)sc(NC(=O)C(=O)c2c(C)nn(C)c2C)c1C#N 68677766 HZSQTIZTVJAGNN-UHFFFAOYSA-N 330.413 2.662 30 40 EFEB CC(C)=N/N=C1/NC(=O)[C@@H](CC(=O)Nc2cc(C)cc(C)c2)S1 8575395 NWQRNWOGSAYLGO-CYBMUJFWSA-N 332.429 2.615 30 40 EFEB CN(C)CCCN(CCC#N)C(=O)Nc1ccc2c(c1)C(=O)CCC2 86302805 CJPRTARVNLTTOQ-UHFFFAOYSA-N 342.443 2.905 30 40 EFEB C=C1CC[C@H]2[C@@](C)(CO)[C@@H](O)CC[C@]2(C)[C@H]1/C=C/C1=CCOC1=O 40975391 XMJAJFVLHDIEHF-YFFHYEMFSA-N 332.440 2.768 30 40 EFEB C/N=C(/NCC(C1CC1)C1CC1)NC1CCN(c2ccccn2)CC1 86484279 OJKOUIXDHDIOBA-UHFFFAOYSA-N 341.503 2.652 30 40 EFEB C=CCN1CC[C@]2(CN(c3ncc(C)cn3)C[C@H]2c2ccccc2)C1=O 96201895 ZTBGMDLVRMTXSU-GHTZIAJQSA-N 348.450 2.794 30 40 EFEB CCc1cnc(N2CC[C@@]3(CC(=O)N(c4ccc(C#N)cc4)C3)C2)nc1 96238826 NMMZYTFBDNNOCW-HXUWFJFHSA-N 347.422 2.544 30 40 EFEB CCOC(=O)c1cc(C#N)c(SCCO)nc1-c1ccccc1 16687751 NSEWMGPIKKRFKK-UHFFFAOYSA-N 328.393 2.881 30 40 EFEB C=CCN(C(=O)CNc1cccc(S(C)(=O)=O)c1)c1ccccc1 10184846 UIRIFEXJHFOQTA-UHFFFAOYSA-N 344.436 2.721 30 40 EFEB N#CCCn1cc(CNCCc2nnc3ccccn23)c2ccccc21 22024974 ZRICCDGDEQYRBG-UHFFFAOYSA-N 344.422 2.930 30 40 EFEB N#Cc1ccccc1NC(=O)CN1CCCN(Cc2ccccc2)CC1 23254077 MISTUNAAVFTOHI-UHFFFAOYSA-N 348.450 2.705 30 40 EFEB Cc1cc(C(F)(F)F)nc(CCNC(=O)c2cccc(C#N)c2)n1 75170657 LLPMIBBNYPMNRM-UHFFFAOYSA-N 334.301 2.648 30 40 EFEB Cc1csc(C(C)(C)NCCS(=O)(=O)c2ccc(C#N)cc2)n1 78993117 CLXXEMNPCDULME-UHFFFAOYSA-N 349.481 2.622 30 40 EFEB COc1ccc(/C=N/Nc2nn3cnnc3c3ccccc23)cc1OC 1241843 UUTRJROCZBTIFY-VXLYETTFSA-N 348.366 2.741 30 40 EFEB CC(C)[C@H]1CCCN1CC(=O)Nc1c(C#N)cnn1-c1ccccc1 58191957 XLUKDGLARZIBOH-QGZVFWFLSA-N 337.427 2.803 30 40 EFEB CS[C@@H]1CC[C@@H](N(C)CCS(=O)(=O)c2ccc(C#N)cc2)C1 110659000 LZDIOOAPKGVCRX-HUUCEWRRSA-N 338.498 2.548 30 40 EFEB N#C[C@H]1C(=O)N=C2Nc3ccccc3N2[C@@H]1c1cccc([N+](=O)[O-])c1 20637805 GYPHVSSUEGKJIZ-IUODEOHRSA-N 333.307 2.604 30 40 EFEB CC(C)[C@](C)(C#N)NC(=O)CSc1nnc(-c2ccccc2)o1 2618411 SLMUQKMEPVWQGG-INIZCTEOSA-N 330.413 2.883 30 40 EFEB CC1=CC(=O)[C@@H](C(=O)/C=C/c2ccccc2Br)C(=O)O1 3543742 DMSPCRKFINVEPC-PSKZRQQASA-N 335.153 2.677 30 40 EFEB CC(=O)Nc1ccc(/C=N/NC(=S)NCc2ccccc2)cc1 3577476 BRLCDCOFIDAEPW-XDHOZWIPSA-N 326.425 2.643 30 40 EFEB CN1/C(=C\C(=O)CN2CCC(C(=O)O)CC2)C(C)(C)c2ccccc21 13428879 BCKUDMIYKOTHHG-PDGQHHTCSA-N 342.439 2.664 30 40 EFEB C#Cc1cccc(NC(=O)C(=O)NCCc2c[nH]c3cccc(C)c23)c1 71799751 GVMDYUQNGCITPX-UHFFFAOYSA-N 345.402 2.755 30 40 EFEB N#Cc1ccc(NC(=O)[C@H]2CSCN2C(=O)c2ccccc2)cc1 65548763 YCALWCJLLOKZQN-MRXNPFEDSA-N 337.404 2.712 30 40 EFEB C=CCNC(=O)NC(=O)CSc1nc(-c2ccccc2)cs1 6881279 LYIBQNDUJBNBDO-UHFFFAOYSA-N 333.438 2.914 30 40 EFEB Cc1noc(C)c1S(=O)(=O)/N=C(\O)CO[C@@H]1CCC[C@H](C)C1 84025696 WFSYCYJTTVHVJD-JOYOIKCWSA-N 330.406 2.532 30 40 EFEB COc1ccc2ccccc2c1C=NN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 409409030 SQTZQACLJCCSRC-KODHJQJWSA-N 346.386 2.989 30 40 EFEB Cc1ccc(S(=O)(=O)[C@H]2[C@H](c3ccc(F)cc3)[C@@]2(C#N)CO)cc1 225656034 NHOFTUQPJICLKX-OKZBNKHCSA-N 345.395 2.576 30 40 EFEB C=CCOc1ccc(NC(=O)C2(C)COC3(CCCC3)OC2)cn1 225916296 AGJOLVFAYDXZGF-UHFFFAOYSA-N 332.400 2.908 30 40 EFEB CN1Cc2ccccc2CC2(CCN(c3ccc(C#N)cn3)CC2)C1=O 96063613 MBGAKCZDWROBKI-UHFFFAOYSA-N 346.434 2.755 30 40 EFEB O=C(CSC1CCCC1)NCC#CCOc1ccc2c(c1)OCO2 90730648 BIYAWQOSSIIWST-UHFFFAOYSA-N 347.436 2.590 30 40 EFEB CC(C)Oc1ncc(Br)cc1B1OC(C)(C)C(C)(C)O1 642814640 OXMNKHBRESLSNV-UHFFFAOYSA-N 342.042 2.931 30 40 EFEB Cc1ccc(C(=O)NC2CCN(c3ncccc3C#N)CC2)s1 50954778 VLUUMJBLVIIFEE-UHFFFAOYSA-N 326.425 2.722 30 40 EFEB Cn1ccc(C(=O)NCc2cccc(-c3ccc(C#N)s3)c2)cc1=O 75143932 XDESHAMAUQJDQF-UHFFFAOYSA-N 349.415 2.915 30 40 EFEB CC(=O)N1CCc2c(sc(NC(=O)c3cccs3)c2C#N)C1 4275184 AIJICYUPYJDDBL-UHFFFAOYSA-N 331.422 2.838 30 40 EFEB Cc1sc(NC(=O)CS(=O)(=O)c2ccccc2)c(C#N)c1C 4570325 HJACMSLQIAQWAI-UHFFFAOYSA-N 334.422 2.649 30 40 EFEB COc1ccc2cc(C#N)c(SCC(=O)N3CCCC3)nc2c1 412736 FTEHXRYRSCFWPF-UHFFFAOYSA-N 327.409 2.830 30 40 EFEB CC(=O)Nc1cccc(C(=O)[C@@H](C#N)C(=O)Nc2ccc(F)cc2)c1 103501876 AWOFIYQLVRHPKQ-MRXNPFEDSA-N 339.326 2.745 30 40 EFEB O=C1C[C@H](c2ccco2)CC2=C1[C@H](c1ccccn1)n1ncnc1N2 22608661 CABOPSFYMHKHQG-DIFFPNOSSA-N 333.351 2.682 30 40 EFEB COc1cc(/C=N/N/C(S)=N/c2ccccc2)cc([N+](=O)[O-])c1O 1969667 LRBSZUUNXBIEOX-CXUHLZMHSA-N 346.368 2.850 30 40 EFEB Cc1ccc(S(C)(=O)=O)cc1C(=O)OCc1ccccc1C#N 7401031 SWHLOJXDRAGBPD-UHFFFAOYSA-N 329.377 2.627 30 40 EFEB N#Cc1ccc(N[C@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)nn1 95993863 XEEXAUBASKGVJI-ZDUSSCGKSA-N 348.193 2.872 30 40 EFEB C#CCOc1c(C(=O)O)sc(Br)c1Br 96511044 GKTOTAANWKFQEY-UHFFFAOYSA-N 339.992 2.983 30 40 EFEB N#C[C@H](c1c(F)cccc1Cl)N1CCC[C@H](N2CCNC2=O)C1 96443285 ZUKZGPQEDHQONG-SMDDNHRTSA-N 336.798 2.533 30 40 EFEB Cc1[nH]c2ccccc2c1C=NN1C(=O)[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C[C@H]34)[C@H]2C1=O 245226685 IKZCSAPFNLJAJB-JROKTQBJSA-N 345.402 2.863 30 40 EFEB N#Cc1ccc(C2CCN(CC(=O)NCC3CCCCC3)CC2)nc1 600840636 KXLJIRVMNFXSOE-UHFFFAOYSA-N 340.471 2.829 30 40 EFEB CCc1noc(C)c1C(=O)N1CCN([C@@H](C#N)C2CCCCC2)CC1 57233289 CVQWJYDDJDCOQN-KRWDZBQOSA-N 344.459 2.776 30 40 EFEB N#Cc1ccc(C(=O)N2CCC[C@H](Cc3nc(C4CC4)no3)C2)cc1 217813272 IBBQBEVMMZIVKC-CQSZACIVSA-N 336.395 2.914 30 40 EFEB N#CCSc1nc2cc(Cl)ccc2c(=O)n1C[C@H]1CCCO1 5571420 OBCGXKOQPYFSIL-LLVKDONJSA-N 335.816 2.845 30 40 EFEB N#Cc1c(CN2CCN(c3ccccc3O)CC2)cn2ccccc12 40025109 MANGFAMVZAAOCM-UHFFFAOYSA-N 332.407 2.839 30 40 EFEB CCN(Cc1ccco1)C(=O)C1CCN(c2ccc(C#N)cn2)CC1 40498887 DVZAXWANEJZVND-UHFFFAOYSA-N 338.411 2.811 30 40 EFEB CC(=O)Nc1cccc(NC(=O)NCc2cc(C#N)ccc2F)c1 76068469 KBJIFYVBTTXGEI-UHFFFAOYSA-N 326.331 2.977 30 40 EFEB CC(=O)c1ccc(S(=O)(=O)/N=C(\O)c2ccc(Cl)o2)cc1 77943017 GIFQIIMATHSZKS-UHFFFAOYSA-N 327.745 2.829 30 40 EFEB N#C[C@H](NC(=O)c1cc(-c2ccc(Br)cc2)n[nH]1)C1CC1 108828134 LGGYDMXOTLDSRE-AWEZNQCLSA-N 345.200 2.871 30 40 EFEB C[C@H](NC(=O)NCCCc1n[nH]c(N)c1C#N)c1cccc(Cl)c1 44909859 QYILGOFSLXNGEM-JTQLQIEISA-N 346.822 2.510 30 40 EFEB C=CCn1c(C)cc(C(=O)COc2ccc(-n3cnnn3)cc2)c1C 2647112 APHGNUBVWWDAKU-UHFFFAOYSA-N 337.383 2.528 30 40 EFEB C[C@H](OC(=O)c1n[nH]c2ccccc12)C(=O)Nc1ccc(C#N)cc1 5360675 CLYBRZJCCFWVPB-NSHDSACASA-N 334.335 2.619 30 40 EFEB CNC(=S)N/N=C/c1ccc(-c2ccc(Cl)c(C(=O)O)c2)o1 4690692 BHHRYKAOJWKLNP-REZTVBANSA-N 337.788 2.726 30 40 EFEB CCNC(=O)C[C@H]1S/C(=N/N=C(\C)c2ccc(C)cc2)N=C1O 4690097 LKOGYDUUSDDGMR-OTGIAGGSSA-N 332.429 2.673 30 40 EFEB CC(C)(C)OC(=O)N1CCC[C@@H](CNC(=O)c2cccc(C#N)c2)C1 69351047 FRQNRNHIHFYJHR-HNNXBMFYSA-N 343.427 2.935 30 40 EFEB CC(C)(C)OC(=O)NCCC(=O)N[C@@](C)(C#N)CCc1ccccc1 69741656 CJWCEAXZEKQTNG-LJQANCHMSA-N 345.443 2.932 30 40 EFEB C[C@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)c1cccc(CC#N)c1 71890127 HGHMFJYAKQBONM-AWEZNQCLSA-N 343.427 2.834 30 40 EFEB O=C1CCCC2=C1[C@@H](c1ccc([N+](=O)[O-])cc1)c1c(O)n[nH]c1N2 18195469 XYUSCWMVQRYTGV-GFCCVEGCSA-N 326.312 2.588 30 40 EFEB Cc1ccc(OCC(=O)O)c2c1[C@@H](C)/C(=C/c1cnn(C)c1)C2=O 96993468 AHUDEDOQSHGUJG-RYPVXOHGSA-N 326.352 2.575 30 40 EFEB C[C@@H](CC#N)Sc1ccccc1NC(=O)CN1CCOC[C@@H]1C 95953647 KIZMJSMSEOXLAK-KBPBESRZSA-N 333.457 2.740 30 40 EFEB CC(C)(C)n1cc(C#N)cc1NC(=O)c1ccc(N2CCCC2)nn1 78665223 RWCXGOHRHPIOCO-UHFFFAOYSA-N 338.415 2.757 30 40 EFEB CCOC[C@]1(C#N)[C@H](c2cccc(Cl)c2)[C@H]1S(=O)(=O)CC 242473375 FIHVIQPACHMBLS-RBSFLKMASA-N 327.833 2.787 30 40 EFEB C=C[C@H](CC(=O)NC[C@@H](Cc1cccnc1)C(=O)O)c1ccccc1 1615587541 HCDSQOHTEKNOLQ-SJLPKXTDSA-N 338.407 2.801 30 40 EFEB CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)c1cc(F)ccc1O 94016313 RNAMTEBSLMPRMY-UHFFFAOYSA-N 341.386 2.607 30 40 EFEB CC1(C)CC(=O)C(C(=O)/C=C\Nc2cccc([N+](=O)[O-])c2)C(=O)C1 100098425 QGOHZQGLVAJFMZ-SREVYHEPSA-N 330.340 2.664 30 40 EFEB CC(C)NC(=O)[C@H](C#N)C(=O)[C@@H](C)Oc1ccccc1C(F)(F)F 100730464 GOGCLLQBMAKKSG-GHMZBOCLSA-N 342.317 2.706 30 40 EFEB N#Cc1cnc2c(F)cc(F)cc2c1NC[C@H](O)COCC1CC1 79002471 OWUOEKDZHGCHNN-ZDUSSCGKSA-N 333.338 2.584 30 40 EFEB C[C@](C#N)(NC(=O)CNc1ccccc1OC(F)(F)F)C1CC1 22812152 CYGVUBDLBXZNTL-CQSZACIVSA-N 327.306 2.806 30 40 EFEB N#C[C@@H](CC(=O)OCc1ccccc1)NC(=O)OCc1ccccc1 6575063 YTJJGOCXXZRBEN-QGZVFWFLSA-N 338.363 2.938 30 40 EFEB C[C@H](OC(=O)c1[nH]nc2ccccc12)C(=O)Nc1cccc(C#N)c1 8709957 LUDZJFXANJRKOP-NSHDSACASA-N 334.335 2.619 30 40 EFEB Cc1ccc(NC(=O)C2CC2)cc1NCC(=O)N[C@@](C)(C#N)C(C)C 55849472 YKTOBCCSWHYUPY-IBGZPJMESA-N 342.443 2.810 30 40 EFEB C=CCNC(=O)[C@H](C)N(C)CCCc1cc(-c2ccccc2)no1 58344231 SCKBYIRJFILZAU-HNNXBMFYSA-N 327.428 2.897 30 40 EFEB CCCNC(=O)NC(=O)COc1ccc(-c2ccc(C#N)cc2)cc1 3534343 PEJUFIYQSVULMQ-UHFFFAOYSA-N 337.379 2.840 30 40 EFEB Cn1nc(C(F)(F)F)c(C#N)c1OC(=O)c1c(F)cccc1F 12955697 XRQJQBGBXNMQDJ-UHFFFAOYSA-N 331.200 2.808 30 40 EFEB Cc1cc(Cl)c(C(C)C)cc1Oc1c(C#N)c(=O)n(C)c(=O)n1C 14218928 MYIKYJKGEUOZCR-UHFFFAOYSA-N 347.802 2.833 30 40 EFEB C#CCOc1cccc(NC(=O)N[C@@H](C)Cc2c(C)nn(C)c2C)c1 96434737 BISMEACZVYOWOL-ZDUSSCGKSA-N 340.427 2.802 30 40 EFEB CN1N=C(C(=O)N(CC2CC2)c2cc(Cl)ccc2C#N)CCC1=O 69325347 PQKISSJUBDRONL-UHFFFAOYSA-N 344.802 2.563 30 40 EFEB C[C@@H](NC(=O)CNC(=O)c1ccc(C#N)cc1)c1cc2ccccc2o1 69812054 UFWVLTVAFLHRLA-CYBMUJFWSA-N 347.374 2.912 30 40 EFEB CCNC(=O)CN(Cc1ccc(C#N)cc1)Cc1cccc(F)c1 97496964 JWSIQYKWWMJEOG-UHFFFAOYSA-N 325.387 2.836 30 40 EFEB O/C(=N\c1nc(-c2cccs2)n[nH]1)c1cccc(-n2cncn2)c1 95397584 SNZZDUYIBROQPT-UHFFFAOYSA-N 337.368 2.750 30 40 EFEB Cc1nnc(-c2cccc(C#N)c2)n1CC(=O)N(C1CC1)[C@H](C)C1CC1 95399629 YHLAHINRZCYGIH-CYBMUJFWSA-N 349.438 2.915 30 40 EFEB C[C@H](Oc1ccccc1C#N)C(=O)OC1CCC2(CC1)OCCO2 95450761 UGTZWFVUGLNFIK-ZDUSSCGKSA-N 331.368 2.554 30 40 EFEB N#Cc1cccc(C(=O)NC[C@@](O)(c2ccco2)c2cccs2)c1 225585131 WUTJRQYARKDMPB-GOSISDBHSA-N 338.388 2.879 30 40 EFEB Cn1cnc(CNc2c(C#N)cnc3c(Br)cccc23)n1 252508031 XAUNUEYUEMIUJG-UHFFFAOYSA-N 343.188 2.610 30 40 EFEB C/C(=N\NC(=S)N1CCN(C2CCCCC2)CC1)c1ccccn1 16942075 XRNUKBNDPNWHJV-HMMYKYKNSA-N 345.516 2.630 30 40 EFEB CC(C)Oc1ccc(/C(O)=N/S(=O)(=O)c2ccc(N)cc2)cc1 2103 FBFBRAFXKGRRHI-UHFFFAOYSA-N 334.397 2.750 30 40 EFEB in-man C=CCSc1nc2c(c(=O)[nH]1)[C@H](c1cccc(F)c1)CC(=O)N2 4944427 NTYVAXAXRGRUDF-NSHDSACASA-N 331.372 2.661 30 40 EFEB C[C@H](Oc1ccc(C#N)cc1)C(=O)/N=c1\[nH]ccn1Cc1ccccc1 47709428 CLGLSQMRBCNPNW-HNNXBMFYSA-N 346.390 2.631 30 40 EFEB Cc1nc(S[C@H](C)C(=O)NC(=O)NCC(C)C)c(C#N)c(C)c1C 12543254 GNEVYBGHGKHQBS-CYBMUJFWSA-N 348.472 2.841 30 40 EFEB CCOc1ccccc1/C=C/C(=O)c1ccc(S(=O)(=O)NC)cc1 14199524 VPXKYXQPSYBBQG-JLHYYAGUSA-N 345.420 2.890 30 40 EFEB CCC[C@@H](C#N)NC(=O)c1cc(Br)c2c(c1)OCCO2 69439621 RZMYEFOAVIBQBT-JTQLQIEISA-N 339.189 2.642 30 40 EFEB Cc1ccc(CC(=O)N2CCCN(Cc3ccc(C#N)cc3)CC2)cn1 71819711 HCEUKIUQUSODJK-UHFFFAOYSA-N 348.450 2.539 30 40 EFEB Cn1cnnc1[C@H]1CCCN(c2ccc(Br)cc2C#N)C1 97083791 ZTBGMRBTLVHXKK-NSHDSACASA-N 346.232 2.833 30 40 EFEB N#Cc1ccc(C(=O)N(Cc2ccccc2)CC2(O)CCCC2)nc1 95417467 IPNFBKXOEAJTIM-UHFFFAOYSA-N 335.407 2.901 30 40 EFEB Cc1c(NC(=O)C(=O)Nc2cccc(C#N)c2)cnn1CCC(C)C 95442881 QKJNTDPTJNXQAT-UHFFFAOYSA-N 339.399 2.687 30 40 EFEB Cn1cc(N2CCC[C@@H](SCc3ccc(F)cc3C#N)C2=O)cn1 89755861 MTMARJYQVOQWPY-MRXNPFEDSA-N 344.415 2.860 30 40 EFEB C=CCN(c1ccc(C(=O)N(C)C2CCCC2)cc1)S(C)(=O)=O 38752729 SMPXJENGQBJQQK-UHFFFAOYSA-N 336.457 2.653 30 40 EFEB N#Cc1cccc(CN2CC[C@H](c3nnc(-c4cccnc4)o3)C2)c1 49169647 LTWOHRXGGJGMRD-KRWDZBQOSA-N 331.379 2.993 30 40 EFEB biogenic,in-vitro Cc1cc(C#N)nc(N2CCN(Cc3ccc(F)cc3Cl)CC2)n1 286004657 DRILKSRDOOFAMK-UHFFFAOYSA-N 345.809 2.771 30 40 EFEB CC(C)(C(=O)O)c1ccc(NS(=O)(=O)c2ccc(C#N)cc2)cc1 71916512 HYTOAHHZMHBFNV-UHFFFAOYSA-N 344.392 2.721 30 40 EFEB N#Cc1cc([N+](=O)[O-])ccc1N1CCN(CCc2cccs2)CC1 57141359 ILLRRKROHLXMFA-UHFFFAOYSA-N 342.424 2.893 30 40 EFEB CCN(CCC#N)S(=O)(=O)c1c(F)cccc1Br 84774720 HGBKGWUXUKATII-UHFFFAOYSA-N 335.198 2.512 30 40 EFEB N#Cc1c(OCC(=O)N2CCCC2)nc(-c2ccco2)c2c1CCC2 12324179 INRWZRVZUAYZHQ-UHFFFAOYSA-N 337.379 2.703 30 40 EFEB CCc1nnc2n1N(C(C)=O)C(c1ccc(C)cc1)=C(C(C)=O)S2 4518255 NDZMTBKWRQUJMI-UHFFFAOYSA-N 342.424 2.697 30 40 EFEB Cc1ocnc1C(=O)[C@@H](C#N)C(=O)Nc1ccccc1Br 105759574 JFDMDNIXLPUYKQ-SECBINFHSA-N 348.156 2.707 30 40 EFEB N#Cc1cccnc1N1CCCN(c2snc(Cl)c2C#N)CC1 57147963 UVOFNGIOWCADBH-UHFFFAOYSA-N 344.831 2.652 30 40 EFEB N#C[C@@H](C(=O)c1csc(C2CC2)n1)c1nnc2n1CCCCC2 97000180 BZNLBFFLTZYWQT-NSHDSACASA-N 327.413 2.828 30 40 EFEB C[C@@H](C#N)Sc1ccc(S(=O)(=O)N2CCCCCC2)cn1 5702615 DBBIYEGKZXSELM-LBPRGKRZSA-N 325.459 2.650 30 40 EFEB COc1ccc([C@]2(C)NC(=O)N(Cc3ccccc3C#N)C2=O)cc1 7277051 NHZIHDUPHCWJIB-IBGZPJMESA-N 335.363 2.534 30 40 EFEB COc1cc(/C=C2/COc3ccccc3C2=O)cc([N+](=O)[O-])c1O 96767419 ALZPRVCBSDCBHU-WDZFZDKYSA-N 327.292 2.968 30 40 EFEB C[C@H](OC(=O)[C@H]1CC(=O)N(CC(F)(F)F)C1)c1ccc(C#N)cc1 75093815 JVKXWLRNXLRVLM-GWCFXTLKSA-N 340.301 2.573 30 40 EFEB N#Cc1cccc(CN[C@@H]2CCc3nc(N4CCCC4)ncc3C2)c1 306124407 BPCWFHUZRSLOTM-GOSISDBHSA-N 333.439 2.596 30 40 EFEB O=C(CNC(=O)[C@H](CS)Cc1ccccc1)OCc1ccccc1 34426523 LFABBWTUJCBFQG-KRWDZBQOSA-N 343.448 2.635 30 40 EFEB O=c1sc2c(n1C[C@H]1CO1)SC[C@@H]1COc3ccccc3[C@@H]21 35053043 CVHMRDCNMUHILY-KWBADKCTSA-N 333.434 2.555 30 40 EFEB COc1cccc(C#N)c1NC(=O)Cn1nc(C(F)(F)F)cc1C 585124811 TWMTYMWCHBKJML-UHFFFAOYSA-N 338.289 2.729 30 40 EFEB O=C(O)c1ccc(N/N=C2/CCS(=O)(=O)c3ccc(F)cc32)cc1 37399331 VKIRBVSJHKYSPW-RGEXLXHISA-N 348.355 2.518 30 40 EFEB O/N=C1\CCC=CCC[C@H]1N1CCN(c2ccc3c(c2)OCO3)CC1 18127374 JTABKOZBAZMABZ-DZNVGIAESA-N 343.427 2.866 30 40 EFEB Cc1cc(C)nc(SCC(=O)[C@H](C#N)c2nc3ccccc3[nH]2)n1 41495082 TXHAUGOLCWPANV-LBPRGKRZSA-N 337.408 2.938 30 40 EFEB Cc1nc(CNC(=O)NCCOc2ccc(CC#N)cc2)sc1C 76088412 MWEFJRMUHRKIRR-UHFFFAOYSA-N 344.440 2.704 30 40 EFEB N#C[C@]1(NC(=O)c2ccc(F)c(Br)c2)CCSC1 79861031 CTIDWQFEWBWBRK-GFCCVEGCSA-N 329.194 2.717 30 40 EFEB Cc1c(C#N)c(NC(=O)CN2CCOCC2)n(C2CCCCC2)c1C 24013571 AHRVLSHUKZFPBU-UHFFFAOYSA-N 344.459 2.753 30 40 EFEB CC(=O)N1CCc2cc(N[C@H](C)C(=O)Nc3ccc(C#N)cc3)ccc21 12561971 DGFMTAUQXCACEV-CYBMUJFWSA-N 348.406 2.906 30 40 EFEB Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)Cn1cccn1 44966142 NDUZTBGXHAIZLY-UHFFFAOYSA-N 333.351 2.889 30 40 EFEB CCn1cc(NC(=O)C2CCN(Cc3ccccc3C#N)CC2)cn1 58420466 SVIGEZSFKUVSGX-UHFFFAOYSA-N 337.427 2.625 30 40 EFEB N#CC1(NC(=O)COC(=O)c2ccc3ccccc3n2)CCCCC1 5079778 STXFUTRDEYUFKS-UHFFFAOYSA-N 337.379 2.734 30 40 EFEB C=CCn1c(SCc2ccccc2)nnc1[C@@H]1CCS(=O)(=O)C1 14018167 BJOGSCBEAVOQDV-CQSZACIVSA-N 349.481 2.659 30 40 EFEB CCOc1ccc(S(=O)(=O)/N=C(\O)[C@@H](CC)OC)cc1OCC 68721674 BXYMGURRPBQQDK-GFCCVEGCSA-N 345.417 2.554 30 40 EFEB Cc1oc(-c2ccsc2)nc1CC(=O)N(CCC#N)CCC#N 69325582 BQEPGDVCQXCJLD-UHFFFAOYSA-N 328.397 2.910 30 40 EFEB N#Cc1ccc(S(=O)(=O)CCn2cc(-c3ccccc3)cn2)cc1 95437136 DOUHIZIKQRAMKX-UHFFFAOYSA-N 337.404 2.896 30 40 EFEB CCNC(=O)COc1cccc(CNc2cc(C)nc(C)c2C#N)c1 95972256 MBDDBXJZEIOAGF-UHFFFAOYSA-N 338.411 2.697 30 40 EFEB CN(C)c1ccc(/C=N/c2ccccc2OS(=O)(=O)N(C)C)cc1 255188731 LEISAOMMMFURNS-QGOAFFKASA-N 347.440 2.688 30 40 EFEB CCN1CC[C@]2(CN(Cc3ccccc3C#N)CC(F)(F)C2)C1=O 585093381 SSLZEKDDGPOKFP-KRWDZBQOSA-N 333.382 2.638 30 40 EFEB N#Cc1ccc(COC(=O)c2ccc(N3CCC(O)CC3)cc2)cc1 70039582 HWCDUKHOJVLFFI-UHFFFAOYSA-N 336.391 2.876 30 40 EFEB C[C@H](C(=O)N(CCC#N)c1ccccc1)N(C)CCc1ccncc1 95454728 FFQUYNNXWYWPIF-QGZVFWFLSA-N 336.439 2.891 30 40 EFEB COc1cccc([C@H]2O[C@]3(C)OC(=N)[C@](C#N)([C@@H]3C)C2(C#N)C#N)c1 100162032 LDVUBUDWDJEHNC-FJQTWTKGSA-N 336.351 2.670 30 40 EFEB C[C@@H](CC#N)N(C)C(=O)c1cc(Br)c2c(c1)OCCO2 78420228 ZCFXZMRCRWNKRQ-VIFPVBQESA-N 339.189 2.594 30 40 EFEB COc1ccccc1[C@@H](NC(=O)c1cccc(C#N)c1)c1noc(C)n1 70981893 DGHVJWCWTOLEDL-QGZVFWFLSA-N 348.362 2.778 30 40 EFEB O=C1/C(=C/c2cc3c(cc2[N+](=O)[O-])OCO3)Cc2c(O)cccc21 84445735 ZDHNGHKZVPOBNM-ONNFQVAWSA-N 325.276 2.852 30 40 EFEB O=C1[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)N1/N=C/c1c(O)ccc2ccccc12 104000692 YEMOVMTVDIMIAD-KKSKEVDBSA-N 332.359 2.686 30 40 EFEB COc1ccc([N+](=O)[O-])cc1/C=N/NCc1ccc(OC)c(OC)c1 20196697 DGYXVGNFFPOKQK-YBFXNURJSA-N 345.355 2.744 30 40 EFEB Cc1nc(N=C2NCN([C@H]3CCCC[C@@H]3C)CN2)nc2ccccc12 19324305 NEEOQUZPWWKPOF-GUYCJALGSA-N 338.459 2.914 30 40 EFEB N#C[C@@H](C(=O)[C@H]1CC(c2ccccc2)=NO1)c1nc2ccccc2[nH]1 48813590 RVNZSZNUYHKOIJ-SUMWQHHRSA-N 330.347 2.932 30 40 EFEB C=CCOc1ccc(/C=C2/SC(=O)N([C@@H](C)C(=O)OC)C2=O)cc1 4472273 QACDYDXAJXVXKD-IWQAVIMZSA-N 347.392 2.849 30 40 EFEB COC[C@H](C)n1cc(C(=O)c2cc(Cl)ccc2O)cc(C#N)c1=O 14138378 ISJQHQWQUXPAEX-JTQLQIEISA-N 346.770 2.517 30 40 EFEB N#CCCN(C(=O)Cn1ccc(C(F)(F)F)n1)c1ccc(F)cc1 71893404 OAWHMMGWFLNSKP-UHFFFAOYSA-N 340.280 2.988 30 40 EFEB CCn1nc(C)c(/C(O)=N/S(=O)(=O)[C@H](C)CC(C)C)c1Cl 95404986 SJSPBZWDTAAKND-SECBINFHSA-N 335.857 2.934 30 40 EFEB CC(C)(C)[C@@H](C#N)NC(=O)CCn1c(=S)[nH]c2ccccc2c1=O 85439642 JDZUJXNXHIGSST-CYBMUJFWSA-N 344.440 2.504 30 40 EFEB C#CC[C@@H](OC(=O)CCc1c(C)[nH]c(=O)c(C#N)c1C)C(C)(C)C 95942835 HNXDQXOTKRASJC-MRXNPFEDSA-N 328.412 2.777 30 40 EFEB CC(=O)[C@H]1CC[C@H]2[C@@H]3C[C@H](O)C4=CC(=O)CC[C@]4(C)[C@H]3[C@H](O)C[C@]12C 118926375 KDHBHXVDYRGRDL-PXMIYXPUSA-N 346.467 2.665 30 40 EFEB O=c1c2ccccc2nc(O)n1N=Cc1ccc(N2CCCCC2)cc1 409341028 CABRXNUMTLPQEX-UHFFFAOYSA-N 348.406 2.975 30 40 EFEB C[C@@](O)(CNC(=O)NCC#Cc1ccccc1)c1ccc(F)cc1F 79349248 NCNRIMKIBMFTJY-LJQANCHMSA-N 344.361 2.523 30 40 EFEB CCOC[C@@]1(C#N)[C@@H](S(=O)(=O)CC)[C@@H]1c1ccc(Cl)cc1 218391224 ZIILAHBQBJDNEC-SOUVJXGZSA-N 327.833 2.787 30 40 EFEB [CH]1SN=N[C@@H]1c1cc([C@H]2C=[S+]N=N2)cc([C@H]2C=S=NN2)c1 368027398 DTZJFWDXSKHIFR-UTUOFQBUSA-N 334.455 2.938 30 40 EFEB Cc1oc(NC(=O)COC(=O)c2cc(Cl)ccc2O)c(C#N)c1C 11148075 SMIRZGVXKOAVJZ-UHFFFAOYSA-N 348.742 2.923 30 40 EFEB C=CCN(CC=C)C(=O)CSc1nnnn1-c1ccc(C)cc1C 7978388 DIKNROYTBXKCRV-UHFFFAOYSA-N 343.456 2.572 30 40 EFEB COc1cccc(S(=O)(=O)/N=C(\O)[C@@H](OC)c2ccccc2)c1 58187264 HNISPEHNEXDSNI-HNNXBMFYSA-N 335.381 2.728 30 40 EFEB Cc1ccc([C@@H](C)NC(=O)c2ccc(-n3ncc(C#N)c3N)cc2)o1 58226952 SVSBLSJDUICGLL-GFCCVEGCSA-N 335.367 2.719 30 40 EFEB N#Cc1ccc(CN2CCCN(C(=O)Nc3cccnc3)CC2)cc1 48262237 RFPYYJRJZDNEAG-UHFFFAOYSA-N 335.411 2.693 30 40 EFEB Cn1c(SCC(=O)c2ccc(C#N)cc2)nnc1-c1cccnc1 8883047 NGASLYQGMPSOKN-UHFFFAOYSA-N 335.392 2.724 30 40 EFEB COc1ccc(CCNC(=O)[C@H](C)O/N=C/c2ccc(F)cc2)cc1 15391978 GVNXTGIMXUXPOZ-KOUDTOEKSA-N 344.386 2.932 30 40 EFEB Cc1cc(C)c2ncc(C#N)c(N3CCC[C@H](N4CCNC4=O)C3)c2c1 96429258 BYXLBDZDEQWHTQ-INIZCTEOSA-N 349.438 2.717 30 40 EFEB C=CCCO[C@@H](C)C(=O)N[C@@H]1CCN(c2ccccc2Cl)C1=O 71894222 VWLVUSZRZFBUFA-GXTWGEPZSA-N 336.819 2.543 30 40 EFEB CC/N=C(/NCc1noc(C)n1)N[C@H](C)c1cc2ccccc2o1 88923959 VMYNYAYFMBPQFD-LLVKDONJSA-N 327.388 2.941 30 40 EFEB CCOC(=O)CN(CC#N)[C@H](C)c1cccc(Br)c1 89983721 TVMKIAAPQWLHHP-LLVKDONJSA-N 325.206 2.899 30 40 EFEB N#C[C@H](C(=O)Nc1ccc2c(c1)OCCO2)C(=O)[C@@H]1[C@H]2CCCC[C@H]21 521339557 CLEQTSLQZLEAIL-QDEZUTFSSA-N 340.379 2.541 30 40 EFEB CC(C)[C@@](C)(C#N)NC(=O)CSc1nc(-c2cccs2)n[nH]1 8935808 VHMUAGPKOMAJBQ-CQSZACIVSA-N 335.458 2.680 30 40 EFEB Cc1ccc([C@@H]2[C@H](S(=O)(=O)c3ccccc3)[C@@]2(C#N)C=O)cc1 225657644 SZDNNPGDLFEIKU-SQNIBIBYSA-N 325.389 2.644 30 40 EFEB N#CCC(=O)NCc1ccccc1CN1CCN(c2ccccc2)CC1 97377956 SZXFPMFJPBFYHT-UHFFFAOYSA-N 348.450 2.539 30 40 EFEB CCCCCCC(=O)N(O)[C@H]1CC(=O)N(c2ccc(F)cc2)C1=O 96295820 ZQWLHJKRSHPQKB-AWEZNQCLSA-N 336.363 2.646 30 40 EFEB COC(=O)c1cc(C#N)c(=O)n(Cc2cccc(OCC(C)C)c2)c1 585118757 AOWXJAPNHZBOEK-UHFFFAOYSA-N 340.379 2.590 30 40 EFEB Cc1cc(S(=O)(=O)N(CCC#N)CC2CCC2)ccc1[N+](=O)[O-] 96406683 USQVIPJXZSYWEM-UHFFFAOYSA-N 337.401 2.608 30 40 EFEB COc1ccccc1[C@H](C)C/C(O)=N/S(=O)(=O)N1CCCCC1 96404034 ZQDLIJSCTBHUPD-CYBMUJFWSA-N 340.445 2.876 30 40 EFEB C/N=C(\NCCCn1cc(C)cn1)N[C@@H](C)c1ccccc1OC 96406093 UXDLGJZDHZIWTC-HNNXBMFYSA-N 329.448 2.516 30 40 EFEB C#CCCC1(CCC(=O)N[C@@H](C(=O)O)c2ccc(C)c(C)c2)N=N1 1616033049 ZMKCLOOGDQZBOU-MRXNPFEDSA-N 327.384 2.901 30 40 EFEB O=C(Nc1cccc(/C(O)=N/c2nc(-c3ccccn3)n[nH]2)c1)C1CC1 53524383 UZAOXRJVTNSEEE-UHFFFAOYSA-N 348.366 2.852 30 40 EFEB Cc1ccc(CC(=O)N2CCN([C@@H](C#N)c3ccccc3)CC2)cc1O 97379012 SVEHQJWXKSCOBX-IBGZPJMESA-N 349.434 2.652 30 40 EFEB O=C(C[n+]1cn(C(F)F)c2ccccc21)c1ccc2c(c1)OCCO2 5814181 GFCMQEHLKHRFJU-UHFFFAOYSA-N 345.325 2.978 30 40 EFEB CCOc1ccc(C[C@@H]2S/C(=N/N=C\c3ccco3)NC2=O)cc1 13154560 OUGPJWOLZOBHHI-GZQZNAIASA-N 343.408 2.843 30 40 EFEB C=CCOc1ccccc1C(=O)NCC(C)(C)N1C[C@@H](C)O[C@H](C)C1 30567284 WDTQADYLVXTBCP-HZPDHXFCSA-N 346.471 2.869 30 40 EFEB CCN(C[C@@H](C)C#N)S(=O)(=O)c1ccc(C)cc1Br 40691196 QBRRXROFJMJWTP-NSHDSACASA-N 345.262 2.928 30 40 EFEB COc1cccc(N2CC(=O)C(c3nc4ccc(C)cc4[nH]3)=C2N)c1 8844108 NDLLLPLTQMDVKB-UHFFFAOYSA-N 334.379 2.597 30 40 EFEB COc1ccc([C@H]2C(C(C)=O)=C(C)N=C3SCC(=O)N32)c(OC)c1 1061923 PXLLEZUXEDSPGF-INIZCTEOSA-N 346.408 2.553 30 40 EFEB CC(=O)c1ccc(S(=O)(=O)/N=C(\O)CCc2cscn2)cc1 78701332 BIENUNCMRMGMEQ-UHFFFAOYSA-N 338.410 2.624 30 40 EFEB COCc1cc(C)nc(SCC(=O)Nc2ncccc2C)c1C#N 6969421 BMSNTAOGCPZYNU-UHFFFAOYSA-N 342.424 2.842 30 40 EFEB N#C[C@H](C(=O)CSc1cn[nH]n1)c1nc(-c2ccccc2)cs1 97227364 NCHIPPJAOGSOKK-LLVKDONJSA-N 341.421 2.897 30 40 EFEB N#Cc1c(N)nc2sc(C(N)=O)c(N)c2c1-c1ccc(Cl)cc1 23330355 DHJPTCOCQOYLAD-UHFFFAOYSA-N 343.799 2.752 30 40 EFEB CCNC(=S)N/N=C/c1cc(C)n(-c2ccc(N(C)C)cc2)c1C 107802430 PZRYPFLLVASPDI-UDWIEESQSA-N 343.500 2.978 30 40 EFEB C[C@]1(c2ccc(C#N)cc2)NC(=O)N(C[C@@H]2CC2(Cl)Cl)C1=O 12782141 GPWJHJONJQGXLC-SMDDNHRTSA-N 338.194 2.519 30 40 EFEB C=CCn1c(C)nnc1S[C@@H](C)C(=O)NCCc1ccc(F)cc1 58282216 BTZGKBRNCUKSAZ-LBPRGKRZSA-N 348.447 2.751 30 40 EFEB COc1ccc(OC)c([C@@H]2NC(=O)C(O)=C2C(=O)c2cccs2)c1 4453198 VOZUQYDGWLHPNV-AWEZNQCLSA-N 345.376 2.631 30 40 EFEB N#Cc1ccsc1NC(=O)CSc1nncn1Cc1ccco1 14120496 CYBHSGDVQMGCTO-UHFFFAOYSA-N 345.409 2.583 30 40 EFEB Cn1cc([C@@H]2CN(c3ccc(Br)cc3C#N)CCO2)cn1 96008505 HLGFMQFBYPMDNB-HNNXBMFYSA-N 347.216 2.632 30 40 EFEB CCN(CC)CCNC(=O)c1occc1COc1cccc(C#N)c1 69416080 GVLWREOVRUVOKR-UHFFFAOYSA-N 341.411 2.802 30 40 EFEB Cc1ccc([C@H](CNc2ccc(C#N)cn2)N2CCOCC2)s1 72276394 KJPTZSUADBVBBL-HNNXBMFYSA-N 328.441 2.809 30 40 EFEB CC(C)(C)[C@H](C#N)NC(=O)CCn1c(=S)[nH]c2ccccc2c1=O 85439644 JDZUJXNXHIGSST-ZDUSSCGKSA-N 344.440 2.504 30 40 EFEB COc1ccc(C(=O)/C=C/c2c(C(=O)O)ccc3c2OCO3)c(O)c1 45951673 JCFLUFSBCWUMMK-GQCTYLIASA-N 342.303 2.724 30 40 EFEB N#CCCN(CC(F)(F)F)S(=O)(=O)c1cc2ccccc2o1 195580454 DACPBZXQIQVEMV-UHFFFAOYSA-N 332.303 2.899 30 40 EFEB COc1cccc([C@H](C)CC(=O)N2CCN([C@H](C#N)C(C)C)CC2)c1 84591616 VIFOZBMKKPFRLO-VQIMIIECSA-N 343.471 2.881 30 40 EFEB COc1ccc2c(c1)[nH]c1c(=O)n(/N=C/c3ccccc3OC)cnc12 524118 SZHATJQETZSFLS-UFFVCSGVSA-N 348.362 2.777 30 40 EFEB CO/N=C/Nc1nc2nccc([C@H](C)Oc3cccc(Cl)c3)n2n1 3134431 ZRGJXOAHGNVYTL-JTQLQIEISA-N 346.778 2.919 30 40 EFEB N#Cc1cc(N/N=C/c2cccc([N+](=O)[O-])c2)c([N+](=O)[O-])cc1C#N 6220909 FQPOFPATMSUJOI-GIJQJNRQSA-N 336.267 2.692 30 40 EFEB CC(C)c1c(C#N)c(N)nc(Sc2ncccc2[N+](=O)[O-])c1C#N 13575923 VVTYQZWEFRGQRB-UHFFFAOYSA-N 340.368 2.985 30 40 EFEB O=C(O)c1ccc(NN=C2CCN(C(=O)c3ccoc3)CC2)cc1 43903318 GRHHBDJODQTWRW-UHFFFAOYSA-N 327.340 2.682 30 40 EFEB COc1ccc([C@]2(C)NC(=O)N(/N=C/c3cccs3)C2=O)cc1 3579537 JRNUZMZHKNQVAC-KFXAOSDLSA-N 329.381 2.558 30 40 EFEB Cc1ccc(C(=O)C2=C(O)C(=O)N[C@@H]2c2cccc([N+](=O)[O-])c2)cc1 5818255 ZYXPGTXWECDEIW-OAHLLOKOSA-N 338.319 2.769 30 40 EFEB CN1CCc2nc(SCC(=O)Nc3ccccc3)c(C#N)cc2C1 19889314 SZKZKMGFRKQYHV-UHFFFAOYSA-N 338.436 2.672 30 40 EFEB C=CCc1cc(C=C(C(=O)OC)C(=O)OC)cc(OC)c1OCCC 409073743 XHRLPKYTUOPWSL-UHFFFAOYSA-N 348.395 2.942 30 40 EFEB C=CCN1C(=O)S/C(=C/c2cc([N+](=O)[O-])cc(OC)c2O)C1=O 409063560 CIBHLIDSDWQPML-IZZDOVSWSA-N 336.325 2.531 30 40 EFEB Cc1c(/C(O)=N/S(=O)(=O)C[C@H]2CCCCO2)oc2ccccc12 78979069 QLUXVMIGSLIFPN-GFCCVEGCSA-N 337.397 2.945 30 40 EFEB CC(=O)Nc1c(C)ccc(NS(=O)(=O)c2ccc(C#N)cc2)c1C 55674387 NHHPDCUPDMEJMF-UHFFFAOYSA-N 343.408 2.934 30 40 EFEB N#Cc1ccc(C(=O)N2CCC[C@@H]2c2nnc3n2CCCCC3)cc1 40481269 CQYKFBJRPMQSFG-MRXNPFEDSA-N 335.411 2.853 30 40 EFEB CC(=O)C1=C(O)C(=O)N(Cc2ccco2)[C@@H]1c1ccc(N(C)C)cc1 53500 GSDMKDWCXJRFOI-QGZVFWFLSA-N 340.379 2.830 30 40 EFEB N#Cc1cccc(C(=O)OC[C@@H]2CC(=O)N(Cc3ccccc3)C2)c1 78948881 XNDSLKSGBULOLL-QGZVFWFLSA-N 334.375 2.764 30 40 EFEB C[C@@H](/C(O)=N/c1cccc(Cl)c1)N1CCN(C(=O)C2CC2)CC1 24002644 AELQJJVDZASQQZ-LBPRGKRZSA-N 335.835 2.871 30 40 EFEB CC(=O)Oc1ccc(CC(=O)[C@H](C#N)c2nc3ccccc3n2C)cc1 12575576 MVAVKXVDMOMMRO-INIZCTEOSA-N 347.374 2.918 30 40 EFEB N#Cc1ccc(C(=O)N2CCC(NC(=O)C3CCCCC3)CC2)cc1 58294201 ZFAZEEODRCUYFC-UHFFFAOYSA-N 339.439 2.859 30 40 EFEB C[C@H]1CN(CCC(=O)Nc2sc3c(c2C#N)CCC3)[C@H](C)CO1 58429833 PBAAZBVYNQPIIB-NEPJUHHUSA-N 333.457 2.546 30 40 EFEB CCCCNC(=O)[C@H](C#N)c1nc2ccccc2nc1N1CCCC1 2303461 RZCFUTSGAJPMHL-CQSZACIVSA-N 337.427 2.753 30 40 EFEB COc1ccc(/C=C/C(=O)c2ccc3c(c2)NC(=O)CO3)c(OC)c1 12820636 DGMHCUDMACNMNQ-QPJJXVBHSA-N 339.347 2.931 30 40 EFEB C=CCNC(=O)[C@@H](C)Sc1nnc(Cc2ccccc2)n1CC 12901821 QNRQVOYQQROCNO-CYBMUJFWSA-N 330.457 2.672 30 40 EFEB CC/N=C1\S/C(=C\c2ccc(OCC#N)c(OC)c2)C(=O)N1CC 409380283 BCDMVWCXFUNSLF-YXKDWKSPSA-N 345.424 2.910 30 40 EFEB C=CCN(CC1CCCCC1)C(=O)c1csc(S(N)(=O)=O)c1 69788462 YIDFTIBAKZJRHK-UHFFFAOYSA-N 342.486 2.604 30 40 EFEB C#Cc1cccc(NC(=O)N2CCN(C[C@H](O)c3ccccc3)CC2)c1 71911733 FMBGRNWZDJHZIK-FQEVSTJZSA-N 349.434 2.551 30 40 EFEB CC(C)c1cc(-c2cnc(NC[C@@H]3CCCO3)nc2)c(C#N)c(N)n1 67846656 SEWXDSFPPAFNPN-ZDUSSCGKSA-N 338.415 2.707 30 40 EFEB C[C@@H](NC(=O)CC#N)c1nc(-c2ccc(Br)cc2)no1 195567554 ZSOZCPJLZADHCD-MRVPVSSYSA-N 335.161 2.590 30 40 EFEB N#Cc1ccc(OCC(=O)O)cc1-c1ccc(O[C@@H]2CCOC2)cc1 580214365 SVNLFMVQTIXKOY-QGZVFWFLSA-N 339.347 2.856 30 40 EFEB CN(C(N)=O)c1ccc(OCCCOc2ccc(C#N)cc2)cc1 72277626 PYYBJVXDCOSALI-UHFFFAOYSA-N 325.368 2.921 30 40 EFEB C=C1C(=O)O[C@@H]2C[C@@H](C)[C@@H]3C=CC(=O)[C@@]3(C)[C@@H](OC(=O)/C(C)=C/C)[C@H]12 14500968 IRVAQGHUDIVGEA-UZYNNVTJSA-N 344.407 2.763 30 40 EFEB biogenic,in-vitro O=C(CNC(=O)[C@@H](CS)Cc1ccccc1)OCc1ccccc1 34426524 LFABBWTUJCBFQG-QGZVFWFLSA-N 343.448 2.635 30 40 EFEB C=CCn1c(=N)n(C[C@@H](O)COc2ccccc2C)c2ccccc21 20059830 XHOHIUNCEXSFGW-MRXNPFEDSA-N 337.423 2.857 30 40 EFEB C=CCc1cc(CNC(=O)[C@H](C)n2ccnc2)cc(OC)c1OC 50859973 OPUMZIRKAUHWGP-ZDUSSCGKSA-N 329.400 2.506 30 40 EFEB O=[N+]([O-])c1ccc(Cl)c(/C=N/n2c(CO)nc3ccccc32)c1 531785 QNTFHKLSQSVCHU-CAOOACKPSA-N 330.731 2.972 30 40 EFEB N#Cc1cc([N+](=O)[O-])cn(Cc2ccc(Cl)c3cccnc23)c1=O 42787684 GAPYOQUVFGQTFH-UHFFFAOYSA-N 340.726 2.878 30 40 EFEB C[C@@]1(c2ccc(C#N)cc2)NC(=O)N(C[C@@H]2CC2(Cl)Cl)C1=O 12782136 GPWJHJONJQGXLC-FZMZJTMJSA-N 338.194 2.519 30 40 EFEB C=C(Br)CNC(=O)Nc1cccc(N2CCOCC2)c1 49300797 MZVUYJSYMYSLDF-UHFFFAOYSA-N 340.221 2.553 30 40 EFEB C[C@@H](CC#N)NC(=O)c1nn(-c2ccc(F)cc2)c2c1CCCC2 84636677 WGSLJWVZHWIYPX-LBPRGKRZSA-N 326.375 2.922 30 40 EFEB COc1ccc([C@H]2[C@@H](S(=O)(=O)c3ccccc3)C2(C#N)C#N)cc1 218091256 GNNCNERTUXWPGJ-DLBZAZTESA-N 338.388 2.668 30 40 EFEB CN(C)/C=N\c1ncc2c3ccccc3n(CCN(C)C)c2c1C#N 36383739 YITHKOBKHNYAFH-XKZIYDEJSA-N 334.427 2.844 30 40 EFEB O=S(=O)(/N=C(\O)[C@@H]1C[C@@H]1c1cccc(F)c1F)c1cccnc1 76761051 MNSYERLNWIWIBW-VXGBXAGGSA-N 338.335 2.809 30 40 EFEB COc1cc(N2CCc3c(sc(N)c3C#N)C2)c([N+](=O)[O-])cc1F 96466533 BTVFUMLNKGDLSC-UHFFFAOYSA-N 348.359 2.821 30 40 EFEB N#Cc1ccc(C(=O)N2CC[C@H]3[C@@H]2CCC(=O)N3c2ccccc2)cc1 96186438 DMSFNMRMBRMPMH-OALUTQOASA-N 345.402 2.968 30 40 EFEB C#CCCCC(=O)Nc1nc2n(c1C(=O)OC(C)(C)C)CCCC2 585125468 UBAPNKJEXSMTBS-UHFFFAOYSA-N 331.416 2.917 30 40 EFEB Cc1ccccc1C[C@@H](C)C(=O)N[C@H]1CCN(c2ccncc2C#N)C1 1096387836 BXCBYDWGOAECRJ-APWZRJJASA-N 348.450 2.835 30 40 EFEB C/N=C(/NCc1csc(C(F)(F)F)c1)N(C)C[C@@H]1CCOC1 1614974071 HLFRJFKZYBZQNC-JTQLQIEISA-N 335.395 2.811 30 40 EFEB Cc1ccc(/C=N/NS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)s1 5163585 KZCNZOHDKXDCOB-RIYZIHGNSA-N 339.398 2.586 30 40 EFEB CCN(CCC#N)S(=O)(=O)c1cc(Cl)c2c(c1)C[C@H](C)O2 78822699 CCJQXZAWIAZAET-JTQLQIEISA-N 328.821 2.588 30 40 EFEB CCc1nc2n(n1)CCC[C@H]2NC(=O)N[C@@H](C)c1cccc(C#N)c1 79069735 RSWJXTATLMTOMR-SWLSCSKDSA-N 338.415 2.607 30 40 EFEB C[C@@H](Nc1c(F)cc(C#N)cc1F)c1cccc(S(N)(=O)=O)c1 79016494 ULNDQOFRTDFKKW-SECBINFHSA-N 337.351 2.657 30 40 EFEB CCOc1ccc(OCC)c(N/C(N)=N/C[C@H](C)Cn2cccn2)c1 72272510 ATPPFIQWKVQPQI-AWEZNQCLSA-N 345.447 2.743 30 40 EFEB C[C@H](OC(=O)c1cccc([N+](=O)[O-])c1)C(=O)Nc1ccccc1C#N 5673789 XYXMPADDMPUKNU-NSHDSACASA-N 339.307 2.650 30 40 EFEB N#Cc1ccc(N2CCC[C@@H](N3CCNC3=O)C2)cc1C(F)(F)F 71907723 RQFQDOSIDGNHHZ-CYBMUJFWSA-N 338.333 2.571 30 40 EFEB N#Cc1cc(C#N)c(SCC(=O)Nc2ccc(Cl)cc2)nc1N 18240429 WHSKADDWFNTUOG-UHFFFAOYSA-N 343.799 2.791 30 40 EFEB Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)Nc1ccc2ccccc2n1 72314788 LCWBIEVTGCUIAU-UHFFFAOYSA-N 346.390 2.983 30 40 EFEB Cc1ccc(S(=O)(=O)N/N=C\C2=CC3[C@H]4C=CC2C=C[C@H]34)cc1 43761762 LRDQQJDNKXYMRI-PRRUXEPUSA-N 326.421 2.804 30 40 EFEB COc1ccccc1OCC#CCNC(=O)NCc1cccs1 90610418 BCFMRVAWLMGIKQ-UHFFFAOYSA-N 330.409 2.638 30 40 EFEB C=C[C@@H](CC(=O)NC[C@H](Cc1cccnc1)C(=O)O)c1ccccc1 1615587542 HCDSQOHTEKNOLQ-WMZOPIPTSA-N 338.407 2.801 30 40 EFEB CN(Cc1ccc(C#N)cc1)Cc1nc(-c2ccc3c(c2)OCO3)no1 69329003 FVRQJPAZLUUNKB-UHFFFAOYSA-N 348.362 2.969 30 40 EFEB Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(CC#N)cc1 14399511 VWFSBPLSDPJCCG-UHFFFAOYSA-N 331.353 2.770 30 40 EFEB N#Cc1cccnc1N1C[C@@H]2CN(c3cc(C4CCC4)ncn3)C[C@H]2C1 585615899 CGZNDHGYGJIAOA-IRXDYDNUSA-N 346.438 2.583 30 40 EFEB COc1ccc([C@H]2Nc3nonc3NC3=C2C(=O)CCC3)c(OC)c1 20733942 YCYGNPNJTKDLGH-OAHLLOKOSA-N 342.355 2.673 30 40 EFEB CCOC(=O)C1=C(N)OC2=C(C(=O)CCC2)[C@@H]1c1ccc(F)cc1F 809323 UNJDCYIMUGEPCS-AWEZNQCLSA-N 349.333 2.819 30 40 EFEB N#Cc1c(NC(=O)[C@H]2[C@@H](C(=O)O)[C@H]3C=C[C@H]2CC3)sc2c1CCC2 102345816 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C[C@@H](NC(=O)NCCNc1cccc(F)c1C#N)c1nccs1 71879982 HNMWDLDREIQMBS-SNVBAGLBSA-N 333.392 2.626 30 40 EFEB N#CCOc1ccc(/C=C/C(=O)N2CCC[C@H](N3CCCC3)C2)cc1 71886433 JCQDCPHSTGJLJS-HKMNZKMDSA-N 339.439 2.689 30 40 EFEB C=CCN1C(=O)/C(=C/c2cccc(C(F)(F)F)c2)C(=O)NC1=S 231286694 KPPNMSOQSIZNOF-DHZHZOJOSA-N 340.326 2.518 30 40 EFEB CCOC(=O)C/C(=N\Nc1ncccc1[N+](=O)[O-])c1ccccc1 16682239 XZYIXYFHYLWCQI-QGOAFFKASA-N 328.328 2.759 30 40 EFEB COc1ccc(O)c(C(=O)c2cc(C#N)c(=O)n(-c3ccccc3)c2)c1 6230050 ZXWWQNOIOBIWAV-UHFFFAOYSA-N 346.342 2.654 30 40 EFEB CC(C)c1nc(OCCN2CCOCC2)c(C#N)c2c1CCCC2 20676738 NTNMVRNDYOXKIX-UHFFFAOYSA-N 329.444 2.666 30 40 EFEB N#Cc1c(NC(=O)[C@@H]2[C@@H](C(=O)O)[C@H]3C=C[C@H]2C3)sc2c1CCC2 102633308 ZQLFEWDEONGWSL-WBRVRECLSA-N 328.393 2.570 30 40 EFEB Cc1ccc([C@H](C)NC(=O)CCc2c(C)[nH]c(=O)c(C#N)c2C)o1 44869470 SFEFIFSXMZSHMI-ZDUSSCGKSA-N 327.384 2.575 30 40 EFEB N#Cc1cccc(CNC(=O)c2ccc3c(c2)NC(=O)CCS3)c1 44908866 DLGKNJCJWADUTJ-UHFFFAOYSA-N 337.404 2.923 30 40 EFEB N#CCCN(Cc1cccnc1)C(=O)COc1ccc(F)cc1F 58332666 VYYOXWZYNOHTTH-UHFFFAOYSA-N 331.322 2.681 30 40 EFEB COC(=O)[C@H](C#N)c1nc2ccccc2nc1N1C[C@@H](C)C[C@@H](C)C1 13598215 ORUOZITUZVUTOH-HZSPNIEDSA-N 338.411 2.892 30 40 EFEB Cc1oc(-n2cccc2)c(C#N)c1C(=O)N1CCC[C@H](n2cccn2)C1 65609643 WPFOULZUUFRTLZ-HNNXBMFYSA-N 349.394 2.924 30 40 EFEB CCC(=O)N[C@H]1CCCN(c2ccc(Br)cc2C#N)C1 96008442 ODGRANDHALDLBC-ZDUSSCGKSA-N 336.233 2.816 30 40 EFEB N#Cc1cnc2ccccc2c1N1CCN(CCCn2ccnc2)CC1 96493057 HDYFABXHHRNPSD-UHFFFAOYSA-N 346.438 2.515 30 40 EFEB CCOC(=O)N1CCN(Cc2cc(Cl)ccc2OCC#N)CC1 70020480 CFTYFIHCKRGEKY-UHFFFAOYSA-N 337.807 2.516 30 40 EFEB Cc1cc(NC2CCN(C(=O)NC(C)(C)C)CC2)c(C#N)c(C)n1 97109507 NXCQZHUHZNSTBQ-UHFFFAOYSA-N 329.448 2.955 30 40 EFEB Cc1nn(C)c(C)c1[C@@H]1COCCN1Cc1ccc(C#N)cc1F 95983624 PQDXBEVWKUYZEA-KRWDZBQOSA-N 328.391 2.621 30 40 EFEB C=CCN1CC[C@]2(CN(C(=O)NC(C)C)C[C@H]2c2ccccc2)C1=O 96201904 JEYHLBBSHSSAME-FXAWDEMLSA-N 341.455 2.609 30 40 EFEB N#Cc1ccsc1NC(=O)CCS(=O)(=O)Cc1ccccc1 10620761 LVVNXDZZZWCRCR-UHFFFAOYSA-N 334.422 2.563 30 40 EFEB CC(C)(C)OC(=O)N1CCC[C@]1(Cc1cccc(C#N)c1)C(=O)O 4241154 ZLTRKDHDWPBJPO-SFHVURJKSA-N 330.384 2.955 30 40 EFEB CCN1C[C@H](CN(C)C(=O)c2cccc(C#N)c2)Oc2ccccc21 7257212 MLYNQDFWONPMGO-KRWDZBQOSA-N 335.407 2.918 30 40 EFEB CCOC(=O)c1cc(C#N)c(S[C@H](C(=O)N(C)C)C(C)C)nc1C 58209514 UXBGWEDBOJCUIW-AWEZNQCLSA-N 349.456 2.643 30 40 EFEB CCc1nc(C#N)c(NC[C@@H](c2ccccc2)N2CCOCC2)o1 27750115 DVSPZWPULGDVGQ-INIZCTEOSA-N 326.400 2.594 30 40 EFEB Cc1ccc(/C(N)=N/OCC(=O)N[C@H](C)[C@H]2C[C@H]3CC[C@H]2C3)cc1 110509318 KAXVZJQZATYJGL-YQFWSFKMSA-N 329.444 2.573 30 40 EFEB C[C@H](Oc1ccc(C#N)cc1)C(=O)OCc1ccc2c(c1)OCO2 15014374 SHJJJCIZOXYYOY-LBPRGKRZSA-N 325.320 2.798 30 40 EFEB CCCCOC(=O)CSc1nc(O)c(C#N)c(-c2ccco2)n1 6907344 GGOSCFVTXYAPNX-UHFFFAOYSA-N 333.369 2.749 30 40 EFEB N#CCCN(C(=O)COC(=O)c1ccc(Cl)nc1)c1ccccc1 4966369 OYTCAZROOUAXNK-UHFFFAOYSA-N 343.770 2.839 30 40 EFEB COc1cc(OC)c([N+](=O)[O-])cc1/C=N/NCc1ccccc1OC 20762009 IRJULWSVRQARJZ-YBFXNURJSA-N 345.355 2.744 30 40 EFEB O=C1C[C@H](c2ccco2)CC2=C1[C@@H](c1ccncc1)n1ncnc1N2 22608666 HPKWNCGHIZOGLA-SJKOYZFVSA-N 333.351 2.682 30 40 EFEB N#Cc1ccccc1Cn1cc([C@@H]2OCCN2c2ccccc2)nn1 216755791 JODXOXHRMYVHCN-IBGZPJMESA-N 331.379 2.733 30 40 EFEB COc1cccc([C@@H](C)CC(=O)N2CCN([C@@H](C#N)C(C)C)CC2)c1 84591622 VIFOZBMKKPFRLO-LPHOPBHVSA-N 343.471 2.881 30 40 EFEB CCC[C@H](C(=O)N1CCC(Oc2ccc(C#N)cc2)CC1)N(C)C 95449404 FCTUFMYAMCHAQC-GOSISDBHSA-N 329.444 2.658 30 40 EFEB C=C(Br)CN1CCC[C@@H](C(=O)Nc2ncccc2C)C1 95432160 VSCDBWUYOUINQP-CYBMUJFWSA-N 338.249 2.949 30 40 EFEB Cc1nc(C)c(CN(C2CC2)S(=O)(=O)c2ccc(C#N)cc2)s1 96428857 FEYKNPYFXBQJRT-UHFFFAOYSA-N 347.465 2.985 30 40 EFEB N#Cc1ccc(CCC(=O)N[C@H](Cn2nccn2)c2ccccc2)cc1 253403525 QBGOZYUWQLKUBO-LJQANCHMSA-N 345.406 2.640 30 40 EFEB O=C(/C=C/c1cnc(N2CCOCC2)nc1)c1ccc(Cl)cc1 59404697 GBMZRTHJANMHGA-LZCJLJQNSA-N 329.787 2.863 30 40 EFEB Cc1sc2nc(C)n(/N=C/c3ccc4c(c3)OCO4)c(=O)c2c1C 160347 HBEBWRQCMYIDME-CNHKJKLMSA-N 341.392 2.994 30 40 EFEB N#Cc1ccccc1NC(=O)CSc1ncn(-c2ccccc2)n1 11474775 SZZIVTBATQRDNS-UHFFFAOYSA-N 335.392 2.870 30 40 EFEB C/C(=C/C(=O)ONC(=O)c1ccc([N+](=O)[O-])cc1)Nc1ccccc1 16136457 NWJCPBVQCFBUIG-QXMHVHEDSA-N 341.323 2.799 30 40 EFEB CC(C)[C@](C)(C#N)NC(=O)CNc1ccc(C(=O)NC(C)(C)C)cc1 40493271 AOEMAKDGTRRDKI-IBGZPJMESA-N 344.459 2.681 30 40 EFEB N#Cc1cccnc1NCCNC(=O)Nc1ccc(F)c(F)c1F 47114915 WBPBUZJMXDHWDF-UHFFFAOYSA-N 335.289 2.604 30 40 EFEB CCCC#C[C@@](O)(C(=O)O[C@@H]1CN2CCC1CC2)C1CCCCC1 1640766 CZSCWCOOWBSDAG-QUCCMNQESA-N 333.472 2.739 30 40 EFEB C=CC[C@H]1N(c2ccccc2Cl)C(=O)[C@H]2[C@H](C(=O)O)[C@H]3C=C[C@]21O3 4981862 WUUOXQDEXRFYJX-VFCJXBEMSA-N 345.782 2.656 30 40 EFEB O=S(=O)(Cc1ccc(Cl)nc1)/N=C(\O)c1ccccc1F 58150866 BSPCGJUJCJQIGN-UHFFFAOYSA-N 328.752 2.709 30 40 EFEB C=CCCO[C@@H](C)C(=O)Nc1cc(C(C)(C)C)nn1-c1ncccn1 65490352 RZUSCAVAYFIBIN-ZDUSSCGKSA-N 343.431 2.880 30 40 EFEB CC1(C)CC(=O)C2=C(C1)Nc1nnnn1[C@@H]2c1ccc(Cl)cc1 9260885 NZVNHBVOFJCIJU-CQSZACIVSA-N 329.791 2.985 30 40 EFEB CC[C@H]1CCCN(C(=O)NC2CCN(c3ccc(C#N)cn3)CC2)C1 67090589 AMCCMYFOAFUAAX-HNNXBMFYSA-N 341.459 2.754 30 40 EFEB C=CCN(CC(F)(F)F)C(=O)c1ccc(N2CCOCC2)c(F)c1 69531490 IIBWHKUUCFDHIE-UHFFFAOYSA-N 346.324 2.853 30 40 EFEB C=CCN1C(=O)NC(=O)/C(=C/c2c(Cl)cccc2Cl)C1=O 17242562 ONJPPRIDYWFXMV-CLFYSBASSA-N 325.151 2.641 30 40 EFEB C[C@H]1C[C@@H]1C(=O)NCCC(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 72499532 HUHJDHLNVPFDFA-CABZTGNLSA-N 339.317 2.678 30 40 EFEB N#Cc1cccnc1OC1CCN(C(=O)c2ccc(F)c(F)c2)CC1 96102856 YSFYWFKPBMVLDZ-UHFFFAOYSA-N 343.333 2.915 30 40 EFEB Cc1ccc2c(c1)nc(CNC(=O)NCc1cccc(C#N)c1)n2C 252491241 LJKUOJMZUVAXRK-UHFFFAOYSA-N 333.395 2.753 30 40 EFEB CN(Cc1nccs1)[C@H]1CC12CCN(c1ccnc(C#N)c1)CC2 289615599 LCQLVESMTSYBKR-INIZCTEOSA-N 339.468 2.901 30 40 EFEB C=CCNC(=S)N/N=C/c1ccc(-c2cc(C(=O)O)ccc2C)o1 15008788 CKIVTKRXKFBKNU-VXLYETTFSA-N 343.408 2.937 30 40 EFEB N#Cc1cc(Br)c(C(F)(F)Br)nc1O 1848350509 IHOZIMATZLHVLP-UHFFFAOYSA-N 327.910 2.866 30 40 EFEB Cc1noc([C@@H]2CCC3(CCN(C(=O)C4(C#N)CCCC4)CC3)O2)n1 1565543080 SBMOZYCLSQBMQA-AWEZNQCLSA-N 344.415 2.675 30 40 EFEB Oc1ccc(/C=N/Nc2ccc3nnc(-c4ccccc4)n3n2)c(O)c1 4694819 ZJVWCIHQERXQPP-YBFXNURJSA-N 346.350 2.649 30 40 EFEB Cc1cn2c(n1)CC[C@@H](NC1CCN(Cc3ccc(C#N)cc3)CC1)C2 97034496 DKAPEEOCSYKIDC-HXUWFJFHSA-N 349.482 2.632 30 40 EFEB N#C[C@@H](C(=O)NC1CC1)C(=O)[C@@H]1C[C@@H]1c1cccc(C(F)(F)F)c1 102759716 SOACJDFEQJYOHK-MGPQQGTHSA-N 336.313 2.796 30 40 EFEB Cc1ccc(/C(=N/c2nc[nH]n2)C2C(=O)c3ccccc3C2=O)cc1 100946423 FVHOHZVQBWBGOQ-JWGURIENSA-N 330.347 2.929 30 40 EFEB C[C@@H](Cn1ncc2ccccc2c1=O)Nc1ccc([N+](=O)[O-])c(C#N)c1 97145361 INNWNKWARQWUPU-LBPRGKRZSA-N 349.350 2.677 30 40 EFEB CCc1cc(C#N)c(NC(=O)Cn2cnc3ccccc3c2=O)s1 59829013 JDLBNXZPSLQBPK-UHFFFAOYSA-N 338.392 2.531 30 40 EFEB N#Cc1nccnc1N1CCN([C@@H](c2ccccc2)C(F)(F)F)CC1 95396200 YAEGYAXREYJFLF-HNNXBMFYSA-N 347.344 2.774 30 40 EFEB CN(CC#N)C(=O)c1cc(Br)sc1Br 96408403 RVNVSGFEBRBRGU-UHFFFAOYSA-N 338.024 2.869 30 40 EFEB Cc1c(NS(=O)(=O)c2ccc(C#N)cc2F)cccc1[N+](=O)[O-] 95447373 QKJGIJQMRZWCRG-UHFFFAOYSA-N 335.316 2.715 30 40 EFEB C[C@@H](C#N)CSc1ccccc1NCC(=O)NC(=O)NC(C)(C)C 69706342 PPAPLXFOKRALRL-LBPRGKRZSA-N 348.472 2.975 30 40 EFEB COc1ccc([C@@H]2[C@@H](S(=O)(=O)c3ccccc3)C2(C#N)C#N)cc1 218091179 GNNCNERTUXWPGJ-IAGOWNOFSA-N 338.388 2.668 30 40 EFEB CCOC(=O)Nc1ccc(S(=O)(=O)Nc2cccc(C#N)c2)cc1 222998743 OHOHXULYPUSKEB-UHFFFAOYSA-N 345.380 2.927 30 40 EFEB Cc1ccc(CN2CC[C@]3(C[C@H](Nc4cccc(C#N)n4)CO3)C2)o1 96047670 LCBLSLAWGHGKLK-LPHOPBHVSA-N 338.411 2.700 30 40 EFEB C=CCN1C(=O)CCC[C@]12CCCN(C(=O)c1ccc(OC)cc1)C2 96229920 HQHUJAVZKDWSGR-HXUWFJFHSA-N 342.439 2.869 30 40 EFEB CC(C)(C#N)C(=O)N1CCN(C(=O)c2cc3sccc3s2)CC1 610765748 WUUMIQDAYWWETF-UHFFFAOYSA-N 347.465 2.797 30 40 EFEB N#Cc1ccc(F)c(CSCc2cccc(OCC(N)=O)c2)c1 75584415 CIKWYILCTRPIOH-UHFFFAOYSA-N 330.384 2.995 30 40 EFEB N#Cc1ccc(C(=O)NCC2CCN(C3CCSCC3)CC2)cc1 252550888 SZTUYMOSLNPMQX-UHFFFAOYSA-N 343.496 2.896 30 40 EFEB Cc1cc(N2C[C@H]3CN(c4ncccc4C#N)C[C@H]3C2)nc(C2CC2)n1 2086954079 KDDXHXJYVGXVBI-CALCHBBNSA-N 346.438 2.502 30 40 EFEB C=CCN1C(=O)CCC12CCC(NC(=O)c1cccc(Cl)n1)CC2 2055819354 JKORGOKDMZSSLI-UHFFFAOYSA-N 347.846 2.955 30 40 EFEB CC(C)c1ccc(/C=N/n2c(=O)c(C(C)(C)C)nn3cnnc23)cc1 509936 VGQWDNMDOMCVOF-KEBDBYFISA-N 338.415 2.589 30 40 EFEB CCCCCCC[C@]1(C)NC(=O)N(CC(=O)N[C@@H](C)C(C)C)C1=O 101661682 SCALZLQFNCALTE-KSSFIOAISA-N 339.480 2.818 30 40 EFEB Cc1ccc2cc(C(=O)[C@@H](C#N)C(=O)c3nccn3C)c(C)nc2c1 102019076 BYSINXAZOQOBAS-OAHLLOKOSA-N 332.363 2.791 30 40 EFEB COCC(=O)Nc1ccc(Nc2ccc([N+](=O)[O-])cc2C#N)cc1 32770043 MUVXEYPXIHZUQK-UHFFFAOYSA-N 326.312 2.795 30 40 EFEB Cc1cc([C@@H]2CCCN2C(=O)COc2ccc(CC#N)cc2)on1 53310226 FZXJONWMTMGYQF-INIZCTEOSA-N 325.368 2.792 30 40 EFEB CN(Cc1ccccc1N1CCOCC1)C(=O)c1cccc(C#N)c1 12562654 MSNLMKQEKTWFSD-UHFFFAOYSA-N 335.407 2.667 30 40 EFEB C[C@@H](Oc1cccc(C#N)c1)C(=O)[C@@H](C#N)c1nnc2n1CCCCC2 58282381 DGYNOALWNQTWGY-CZUORRHYSA-N 349.394 2.520 30 40 EFEB C=CCNC(=O)[C@H](C#N)c1nc2ccccc2nc1N1CCCCC1 2302722 ODZMXUHVBXACKF-CQSZACIVSA-N 335.411 2.529 30 40 EFEB CCOC(=O)CC(=O)CSc1nc(C)c2c(c1C#N)CCCC2 4733888 FCASTTPKMQWEGP-UHFFFAOYSA-N 332.425 2.755 30 40 EFEB CSc1c(C#N)c(NC(=O)[C@@H]2CCCO2)nn1-c1ccccc1 28232396 JJRWDHHRHQIXEX-ZDUSSCGKSA-N 328.397 2.583 30 40 EFEB COCc1ccccc1CNC(=O)CNc1ccc(F)c(C#N)c1 95966778 LUBIXRABYQOLPX-UHFFFAOYSA-N 327.359 2.572 30 40 EFEB CCn1ncc2c1CCC[C@H]2N[C@@H]1CCN(c2ccc(C#N)cc2)C1=O 76046971 HWHYIVSJHAXJPQ-QZTJIDSGSA-N 349.438 2.547 30 40 EFEB COc1ccc([C@@H]2[C@@H]3CCCC[C@]3(O)CCN2CC#N)cc1OC 61931146 XIIIERLRZPQPKY-IPELMVKDSA-N 330.428 2.895 30 40 EFEB N#Cc1c(N)sc2c1CCN(C(=O)NCCc1ccc(F)cc1)C2 583650635 VQHWKVSOUQLIEU-UHFFFAOYSA-N 344.415 2.651 30 40 EFEB O=S(=O)(Cc1c(F)cccc1F)/N=C(\O)CCc1cccnc1 96485459 ZOHYVNNFMIHJSU-UHFFFAOYSA-N 340.351 2.779 30 40 EFEB N#Cc1ccccc1Oc1ccc(Nc2ccc3nnnn3n2)cc1 54981494 LVSIWGRCLUQEKQ-UHFFFAOYSA-N 329.323 2.927 30 40 EFEB COc1cc(C#N)ccc1OC(=O)CCc1ccc2c(c1)OCO2 14702059 LDSWKNGUDBBOAM-UHFFFAOYSA-N 325.320 2.834 30 40 EFEB Cc1ncnc(N(C)CC2CCN(c3cc(C#N)ccn3)CC2)c1F 1888856697 ANQJTOFLVGOZJO-UHFFFAOYSA-N 340.406 2.544 30 40 EFEB C=CC[C@H]1N([C@H](C)c2ccccc2)C(=O)[C@@H]2[C@@H](C(=O)O)[C@H]3C=C[C@]21O3 4028780 YWYCUWTWYARELT-MJOGHCMDSA-N 339.391 2.559 30 40 EFEB N=C(N)N/N=C/c1cc(Br)ccc1OCc1ccccc1 1410743 CNNMFPOACGPYMP-DJKKODMXSA-N 347.216 2.845 30 40 EFEB C[C@@H](Oc1ccc(C#N)cc1)C(=O)Nc1ccc(C(=O)NC2CC2)cc1 12911753 JSLISPAOEDJQEU-CYBMUJFWSA-N 349.390 2.856 30 40 EFEB C[C@@H](C#N)CN(C)CCS(=O)(=O)c1cc(Cl)ccc1Cl 49001141 GUTLJTLQRBLQGM-JTQLQIEISA-N 335.256 2.859 30 40 EFEB Cc1nc(C(=O)[C@H](C#N)c2nc3cc(Cl)ccc3c(=O)[nH]2)cs1 65647977 DVCNXCOHDQDHDI-JTQLQIEISA-N 344.783 2.832 30 40 EFEB C[C@@H](O)[C@@]12O[C@H]1C[C@H]1[C@@H]3C[C@H]4O[C@@]45C[C@@H](O)CC[C@]5(C)[C@H]3CC[C@@]12C 118936548 RJABTWNZKWUIGQ-ADSZAAKHSA-N 348.483 2.650 30 40 EFEB CCN(C(=O)c1ccc(C#N)cc1)[C@@H]1CCN(c2ccccc2)C1=O 69737064 NDPNVIXZSPBLLE-GOSISDBHSA-N 333.391 2.826 30 40 EFEB N#C[C@@]1(NC(=O)c2cnc(Cc3ccccc3)s2)CCSC1 87233686 YNHHZFOESKSCPI-INIZCTEOSA-N 329.450 2.863 30 40 EFEB C=CC/N=C(\NCc1ccccn1)NC[C@@H](c1ccsc1)N(C)C 95948121 VCPGDINJTRPULY-KRWDZBQOSA-N 343.500 2.667 30 40 EFEB N#CC1(C(=O)N[C@H]2CCc3nnc(-c4ccccc4)n3C2)CCCCC1 95998182 OKEDDEOHFXNRCZ-INIZCTEOSA-N 349.438 2.850 30 40 EFEB N#Cc1ccc(NC(=O)c2cc3c(cc2F)NC(=O)CC3)cc1C#N 95991094 FZOWYYCHALYYGJ-UHFFFAOYSA-N 334.310 2.706 30 40 EFEB CN(C)c1ccc(/C=N\NC(=N)c2ccccn2)cc1Br 33660680 QZOCZVBQPGQLCW-GRSHGNNSSA-N 346.232 2.859 30 40 EFEB C=CCSc1nnc(NS(=O)(=O)Cc2ccccc2)s1 225449939 OGILMTPDWHIHFT-UHFFFAOYSA-N 327.456 2.758 30 40 EFEB CNS(=O)(=O)Cc1cccc(CNc2c(Cl)cccc2C#N)c1 96429308 LAGPOWLSXMBJTP-UHFFFAOYSA-N 349.843 2.873 30 40 EFEB C=CCO[C@H]1CC[C@H]2[C@H]1OCCN2CCc1ccc(OC)c(OC)c1 96042043 WDGSWCJDZIATIQ-XKGZKEIXSA-N 347.455 2.681 30 40 EFEB Cn1cc(C#N)c(NC(=O)c2ccnc(OC3CCCCC3)c2)n1 93239853 AJYZFXFLABILPV-UHFFFAOYSA-N 325.372 2.651 30 40 EFEB N#Cc1cc(NC(=O)[C@@H]2CCCN(Cc3ccccn3)C2)ccc1F 585135660 UZPJUOQGJBXNGB-CQSZACIVSA-N 338.386 2.943 30 40 EFEB CS(=O)(=O)c1ccc(C(=O)Nc2sc3c(c2C#N)CCC3)cc1 4518023 FNZNATLRBIWRIE-UHFFFAOYSA-N 346.433 2.764 30 40 EFEB COC(=O)C1=C(N)OC2=C(C(=O)CCC2)[C@@H]1c1ccc(SC)cc1 2502634 POTAMNZUZHQJKD-AWEZNQCLSA-N 345.420 2.873 30 40 EFEB Cc1nn(CCCC(=O)Nc2ccc(C#N)cc2)c(C)c1[N+](=O)[O-] 215097 XDLUIDBVVJUKTB-UHFFFAOYSA-N 327.344 2.699 30 40 EFEB C=C1C[C@]23C[C@H]1CC[C@H]2[C@]1(C)CC[C@H](O)[C@@](C)(C(=O)O)[C@H]1[C@@H]3C(=O)O 4102241 NJEWNTGSXKRWKA-MJPABCAUSA-N 348.439 2.932 30 40 EFEB biogenic,in-vitro COCCN(C(=O)COc1ccc(C#N)cc1OC)C1=CCCCC1 23019212 CHBIAYVLGJGCEL-UHFFFAOYSA-N 344.411 2.879 30 40 EFEB CC(=O)c1cc(C#N)c(SCC(=O)NC2(C#N)CCCC2)nc1C 23224025 KOLZCFYVSLJVSN-UHFFFAOYSA-N 342.424 2.509 30 40 EFEB CN1CC[C@@H](NC(=O)c2cc(C#N)c[nH]2)[C@H]1c1ccc(Cl)c(F)c1 108131845 KJTTWMKWMKYJNA-GDBMZVCRSA-N 346.793 2.854 30 40 EFEB COc1ccc(CN2CCCN(C(=O)c3ccc(C#N)cc3)CC2)cc1 44892239 FHWIWZJBFYWKFM-UHFFFAOYSA-N 349.434 2.915 30 40 EFEB C=CCOc1ccc([C@@H]2NC(=S)NC(C)=C2C(=O)OC(C)C)cc1 28290302 RUBJIDZSCXQWBJ-INIZCTEOSA-N 346.452 2.996 30 40 EFEB Cc1ccccc1CCN[C@@H](c1cccc(C#N)c1)P(=O)(O)O 12949465 LFDAFMLFVDBPMM-QGZVFWFLSA-N 330.324 2.875 30 40 EFEB Cc1ccc(NC(=O)C[C@@H]2S/C(=N\C3CCCC3)NC2=O)cc1 13060013 GYNXFWAUJVLTCA-AWEZNQCLSA-N 331.441 2.854 30 40 EFEB Sc1nnc(-c2n[nH]c3c2CCC3)n1/N=C/C=C/c1ccccc1 13598506 STAGHPCPLFZPMA-OKSYWBHRSA-N 336.424 2.993 30 40 EFEB C=CC/N=C1/S/C(=C/C(=O)OC)C(=O)N1c1ccc(C)cc1C 5243920 FEVAJIFFJWTQFT-HXGVTVJWSA-N 330.409 2.982 30 40 EFEB C=CCN(C(=O)[C@H](NC(C)=O)C(C)C)c1nc2c(s1)CCCC2 6553418 NLZWMWXMTFCNSZ-OAHLLOKOSA-N 335.473 2.702 30 40 EFEB C#CCOc1ccc(NC(=O)N[C@@H](C)Cc2c(C)nn(C)c2C)cc1 96434743 LYUHXQSBMGYZAV-ZDUSSCGKSA-N 340.427 2.802 30 40 EFEB Cc1cccc(C(=O)O[C@H](C)C(=O)NC2(C#N)CCCCC2)c1O 7701311 GFQUGKXRFFOUPZ-CYBMUJFWSA-N 330.384 2.589 30 40 EFEB Cc1nn(C)c(Cl)c1CN1CCN([C@@H](C#N)c2ccccc2)CC1 84012379 CCBHOCYJTCUSFA-KRWDZBQOSA-N 343.862 2.764 30 40 EFEB CS(=O)(=O)/N=C(\O)c1ccc(Br)cc1C(F)(F)F 97163997 KJPCQJZWRIBFSC-UHFFFAOYSA-N 346.124 2.732 30 40 EFEB CC1CCC(N2C[C@H](C(=O)[C@H](C#N)c3ccccn3)CC2=O)CC1 67001589 OJMYKYVKWPEACL-GYTBAZASSA-N 325.412 2.685 30 40 EFEB N#Cc1cnc2c(Cl)cccc2c1N1CC[C@H](N2CCCC2=O)C1 567162677 HCNFSPCSSXKARL-ZDUSSCGKSA-N 340.814 2.961 30 40 EFEB CN1CCN(CC#CCC(O)(c2ccccc2)c2ccccc2)CC1 19367087 QOENIORVGPYPHX-UHFFFAOYSA-N 334.463 2.563 30 40 EFEB O=C(Nc1cccc(C#Cc2ccccn2)c1)c1cn2cccnc2n1 40119594 UJNJCIIYCPDOMV-UHFFFAOYSA-N 339.358 2.776 30 40 EFEB CCOC(=O)CNC=C(C(=O)c1ccccc1)C(=O)c1ccccc1 100913439 KPGLMNWWHBEULT-UHFFFAOYSA-N 337.375 2.789 30 40 EFEB Cc1csc(=O)n1CCCC(=O)OCc1ccc(C#N)cc1F 32860309 UWTVIFYNAQNGTM-UHFFFAOYSA-N 334.372 2.753 30 40 EFEB Cc1ccc(NC(=O)COc2cccc(/C=N/n3cnnc3)c2)cc1C 566201 PROOQAVWFSBJCU-LSHDLFTRSA-N 349.394 2.795 30 40 EFEB CCCCS(=O)(=O)Nc1ccc(Nc2nccnc2C#N)cc1 77233008 KYUJJXYUMFZKGA-UHFFFAOYSA-N 331.401 2.634 30 40 EFEB CNC(=O)[C@H]1CCCN(c2cc(C)c(C#N)c3nc4ccccc4n23)C1 78619683 CASCXIRXDFXXFC-AWEZNQCLSA-N 347.422 2.630 30 40 EFEB Cc1ccc(OCc2ccc(C#N)cc2F)c(S(=O)(=O)N(C)C)c1 53876356 DFPCERVJQFDMCZ-UHFFFAOYSA-N 348.399 2.835 30 40 EFEB CN(CC(=O)N(Cc1ccsc1)C1CC1)c1ccc(C#N)cn1 58291925 ZUDLYGQYAJKLQO-UHFFFAOYSA-N 326.425 2.642 30 40 EFEB CCN(CC(=O)Nc1ccc(OC)cc1)C(=O)c1ccc(C#N)cc1 3324362 BCFKRNXIONRTHT-UHFFFAOYSA-N 337.379 2.668 30 40 EFEB N#Cc1cc([N+](=O)[O-])ccc1N1CCN(CCc2ccccc2)CC1 28620829 WMSBHLCCZPPWCL-UHFFFAOYSA-N 336.395 2.831 30 40 EFEB COc1ccc2c(c1)CCN2C(=O)c1cc(C#N)c(SC)nc1O 60471222 SLDXWBHPZRSKOS-UHFFFAOYSA-N 341.392 2.592 30 40 EFEB CC(C)(C)OC(=O)NC1CCN(C(=O)c2ccccc2C#N)CC1 67801136 KBZYRUXHGSLTGS-UHFFFAOYSA-N 329.400 2.688 30 40 EFEB N#Cc1ccsc1NC(=O)c1ccc(S(=O)(=O)C(F)F)cc1 7796738 VBSWLOFMWVODCE-UHFFFAOYSA-N 342.348 2.868 30 40 EFEB C=CCOc1ccc(NC(=O)c2ccccc2NS(C)(=O)=O)cc1 408615984 DQKCXWIPKHJHMX-UHFFFAOYSA-N 346.408 2.875 30 40 EFEB CN(CC(=O)Nc1sc2c(c1C#N)CCCCC2)c1cnn(C)c1 81092053 BQTGVVAPRZYOCL-UHFFFAOYSA-N 343.456 2.697 30 40 EFEB Cc1cc(Br)c(NC[C@H](O)C2CCOCC2)c(C#N)c1 585133119 UEKQPBBQPXSQBL-AWEZNQCLSA-N 339.233 2.829 30 40 EFEB C=CCNC(=O)C[C@@H]1CCN(C(=O)c2ccnc(Cl)c2)C[C@@H]1CC 5433736 FLMLEHWDAWZNNF-KBPBESRZSA-N 349.862 2.916 30 40 EFEB biogenic,in-vitro C=CCNc1nc(C(=O)OCCOc2ccc(OC)cc2)cs1 10132497 OGIHOQYNJHORJV-UHFFFAOYSA-N 334.397 2.985 30 40 EFEB N#CC1(NC(=O)COC(=O)Cc2cccc3ccccc23)CCCC1 5714942 GHIFZFNYFZVWIJ-UHFFFAOYSA-N 336.391 2.878 30 40 EFEB CC(=O)N(CCC(=O)NC1(C#N)CCCCC1)Cc1ccccc1 71854174 MZPPUIRNGKMELO-UHFFFAOYSA-N 327.428 2.768 30 40 EFEB Cc1cc(C)c(C#N)c(SCC(=O)Nc2ccccc2C(=O)O)n1 84185 JXEFSAMWNSQDOA-UHFFFAOYSA-N 341.392 2.999 30 40 EFEB CC(=O)Nc1ccc(/C(C)=N/OCc2ccc(C(N)=O)cc2)cc1 22195394 CGOQMSNQLZHCIM-CIAFOILYSA-N 325.368 2.685 30 40 EFEB CC/N=C1\S[C@H](CC(=O)Nc2ccc(OCC)cc2)C(=O)N1CC 12600548 SKECBXQERBMIIX-MGPWXQLLSA-N 349.456 2.754 30 40 EFEB Cc1onc2c(=O)n(C[C@H](C#N)CCC#N)nc(-c3ccccc3)c12 58342812 OUEVGAVWBPSKKY-ZDUSSCGKSA-N 333.351 2.803 30 40 EFEB Cn1cc(Cl)c(C(=O)/C=C/c2cc3c(cc2[N+](=O)[O-])OCO3)n1 6925489 INWQYLXUURZHGR-NSCUHMNNSA-N 335.703 2.607 30 40 EFEB CC(C)(C)OC(=O)N1CCC(NC(=O)c2ccccc2C#N)CC1 67801099 CHGXOZFKMSTCEQ-UHFFFAOYSA-N 329.400 2.688 30 40 EFEB CC[C@@H]1c2ccsc2CCN1C(=O)CN(C)c1ccc(C#N)cn1 71821879 AXDIVFDLRKAGHM-OAHLLOKOSA-N 340.452 2.987 30 40 EFEB C#CCNC(=O)N1CCC[C@@H](c2nc(-c3ccc(Cl)cc3)no2)C1 69619016 STVHBGZMRRQFSR-CYBMUJFWSA-N 344.802 2.912 30 40 EFEB C=CCN(C(=O)CCCc1ccc(C)cc1)[C@@H]1CCS(=O)(=O)C1 69847163 MOAZZEDNHJZBKQ-QGZVFWFLSA-N 335.469 2.519 30 40 EFEB C[C@@H]1N([C@H](C)C(=O)NC2(C#N)CCCCC2)CCC12CCOCC2 375242872 RJSHBEOWVAFLGM-CVEARBPZSA-N 333.476 2.609 30 40 EFEB Cc1ccc(S(=O)(=O)[C@H]2[C@H](c3cccc(F)c3)[C@@]2(C#N)C=O)cc1 225663875 RNWORIGFUVXEMI-OKZBNKHCSA-N 343.379 2.783 30 40 EFEB C=C(C)CN1CCC(NC(=O)N2CCC(OCC3CC3)CC2)CC1 96439941 JJFRVEKYYFBRGN-UHFFFAOYSA-N 335.492 2.628 30 40 EFEB CN(C)c1cc(C(F)(F)F)cc(-c2ccc(C(=O)NO)cc2)n1 91695414 SZRCYGHVTAQKJF-UHFFFAOYSA-N 325.290 2.952 30 40 EFEB CN(Cc1cccc(C(F)(F)F)c1)C1CN(c2nccnc2C#N)C1 1776007922 MNPYFHZAPVLQLH-UHFFFAOYSA-N 347.344 2.688 30 40 EFEB N#Cc1ccc(C(=O)N2CCCSC[C@H]2CN2CCCC2)cc1 85473207 NWXRVFCSNGCMGT-QGZVFWFLSA-N 329.469 2.602 30 40 EFEB O=C1Nc2ccccc2/C1=N/OC(=O)c1ccc(Br)cc1 1091045 RQZMGYREZPUTCL-UHFFFAOYSA-N 345.152 2.962 30 40 EFEB O=[N+]([O-])c1ccc(N/N=C/c2ccc3c(c2)OCO3)c([N+](=O)[O-])c1 5514191 OROQBSPWFFCPSU-VIZOYTHASA-N 330.256 2.678 30 40 EFEB Cc1cc(C)nc(N/C(=N\C(=O)C2CC2)NC2Cc3ccccc3C2)n1 10493794 WSPMWNQUKLNBDM-UHFFFAOYSA-N 349.438 2.555 30 40 EFEB CCOc1ccc(C(=O)[C@@H](C#N)C(=O)N2CCCCC2)cc1OCC 103502486 PPSCGTYVEBRVKP-OAHLLOKOSA-N 344.411 2.819 30 40 EFEB COc1ccc2[nH]c3c(=O)n(/N=C/c4cccs4)c(O)nc3c2c1 1268061 BXAIFJLIKSTPRU-CAOOACKPSA-N 340.364 2.536 30 40 EFEB C/N=c1\scc(-c2cccs2)n1/N=C/c1ccc(O)c(O)c1O 13865389 LBXQSZJEANWEQV-RIAJZNQQSA-N 347.421 2.808 30 40 EFEB Cc1occc1-c1nnc(SCC(=O)NC2(C#N)CCCC2)o1 7196065 PEKMNKWTTHMTCD-UHFFFAOYSA-N 332.385 2.683 30 40 EFEB Cc1nc(-c2ccco2)ccc1C(=O)NCCNc1ncccc1C#N 69413999 CZQBRECOWOCNGC-UHFFFAOYSA-N 347.378 2.759 30 40 EFEB COc1cc(C(=O)OCc2cccc(C#N)c2)cc2c1OCCO2 17185364 CPGGATLYIWJPOV-UHFFFAOYSA-N 325.320 2.695 30 40 EFEB COC(=O)[C@H](CNC(=O)C1(C#N)CCCC1)Cc1ccc(C)cc1 69632944 VDFDOSOSUGTCOU-INIZCTEOSA-N 328.412 2.527 30 40 EFEB N#Cc1ccc(NCC2CCN(C(=O)[C@@H]3Cc4ccccc43)CC2)cn1 1057536793 LEURBAWGSHILPU-HXUWFJFHSA-N 346.434 2.944 30 40 EFEB Cc1c(C(=O)NCCNc2cccc(F)c2C#N)cccc1[N+](=O)[O-] 47341195 YFYPTDJMJWTGHS-UHFFFAOYSA-N 342.330 2.756 30 40 EFEB CC/N=C(/NCCc1csc(C)n1)NCc1ccc(OC)cc1 96406079 LVYATTDRYUZBEL-UHFFFAOYSA-N 332.473 2.758 30 40 EFEB C=CCn1c(SC[C@@H](O)CC2(O)CCC2)nnc1-c1ccccc1 585120888 TYRMBPPDGSDCIE-HNNXBMFYSA-N 345.468 2.889 30 40 EFEB COCCc1nsc(N2CCC(C#N)(c3ccccc3)CC2)n1 1888904345 BWNMVRDQLVNZPB-UHFFFAOYSA-N 328.441 2.789 30 40 EFEB O=C(/N=C1/SCCN1C[C@H](O)c1ccccc1)c1ccccc1 12377731 JEGWTEIJTJLCOT-RUNIHZNKSA-N 326.421 2.965 30 40 EFEB N#C[C@H](C(=O)NC[C@H]1CCCO1)C(=O)c1cc2c(F)cccc2s1 103502350 VDNHUAMXWQBVPK-PWSUYJOCSA-N 346.383 2.658 30 40 EFEB Cc1csc([C@@H](C#N)C(=O)c2cccc3c2O[C@H](C)C(=O)N3)n1 103795958 LJNMTRYXFPTKIS-KOLCDFICSA-N 327.365 2.661 30 40 EFEB N#Cc1ccc(CNCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)cc1 54179569 XUHGLWFJJXLPPW-LJQANCHMSA-N 348.450 2.550 30 40 EFEB N#Cc1cccc(CS(=O)(=O)N2CCC[C@H]2c2ccncc2)c1 97252448 NPVILQMHGDQFPH-KRWDZBQOSA-N 327.409 2.620 30 40 EFEB C=CCSC1=N[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(Cl)cc1 13736171 HINGMBCZQDGFGH-OLZOCXBDSA-N 342.873 2.601 30 40 EFEB C[C@H](Oc1cccc(C#N)c1)C(=O)NCc1cc(F)ccc1[N+](=O)[O-] 65489921 VACSFCKONVNJRJ-NSHDSACASA-N 343.314 2.689 30 40 EFEB CC(C)(CCC#N)CNCc1nnc2n1C[C@@H](C(F)(F)F)CC2 95402038 AVSIHFQRGPHSRW-NSHDSACASA-N 329.370 2.822 30 40 EFEB CCOC(=O)c1csc([C@@H](C#N)C(=O)Nc2ccccc2F)n1 89984921 PNXQPWWXTDUBEA-VIFPVBQESA-N 333.344 2.705 30 40 EFEB Cc1ccccc1/N=C/[C@H]1C(=O)NC(=S)N(c2ccccc2)C1=O 408742119 UYMGNMOBLLGTOP-YRIIZNAFSA-N 337.404 2.761 30 40 EFEB C/C(=C1/C(=O)C[C@@H]2[C@H]1C2(C)C)N1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2 217381448 HHVSHINZGPPWNV-PAKADVHVSA-N 338.451 2.786 30 40 EFEB CS(=O)(=O)C[C@@H](NCc1ccc(F)c(C#N)c1)c1ccccc1 96492366 BJWBKYABMDIFPE-QGZVFWFLSA-N 332.400 2.573 30 40 EFEB COc1ccccc1S(=O)(=O)N[C@@](C)(C#N)CCc1ccccc1 89895686 HXFQYEIOCYDTNX-GOSISDBHSA-N 344.436 2.889 30 40 EFEB C=C(Cl)CNC(=O)Cc1cc2c(cc1Br)OCCO2 97002308 GNQSNHOBUAHAEA-UHFFFAOYSA-N 346.608 2.632 30 40 EFEB COc1ccc(C[C@H]2S/C(=N\N=C/c3cccs3)NC2=O)cc1 19554441 JCBUCMHNESYHIN-AYCSXLNKSA-N 345.449 2.921 30 40 EFEB C#CCn1/c(=N\C(=O)c2ccnn2CC)sc2cc(C)c(C)cc21 101064317 NWLXPPZSPMWIDL-CZIZESTLSA-N 338.436 2.910 30 40 EFEB CCCCCCC[C@@]1(C)NC(=O)N(CC(=O)N[C@@H](C)C(C)C)C1=O 101661676 SCALZLQFNCALTE-KBXCAEBGSA-N 339.480 2.818 30 40 EFEB CCOc1ccccc1[C@@H]1C(C(=O)OC)=C(N)OC2=C1C(=O)CCC2 348716 DSOAVWLIECOIJR-HNNXBMFYSA-N 343.379 2.550 30 40 EFEB C=CCSc1nc(=O)c2c(n1C)NC(=O)C[C@H]2c1ccccc1C 4944610 XTTZCHLXYRTOOW-ZDUSSCGKSA-N 341.436 2.841 30 40 EFEB CCCCCCCCNC(=S)NNS(=O)(=O)c1ccccc1 100980448 CMWRKMAKUCBSAA-UHFFFAOYSA-N 343.518 2.705 30 40 EFEB Cc1ccccc1C(=O)CN1C(=O)N[C@](C)(c2cccc(C#N)c2)C1=O 58293213 QSNYUZDVKPZPML-HXUWFJFHSA-N 347.374 2.517 30 40 EFEB C/N=C1\S/C(=C/c2ccc(O)c(Br)c2)C(=O)N1C 100248818 RDTYDARNDCRSJY-QKXPFDBWSA-N 327.203 2.687 30 40 EFEB COc1cc(/C(C)=N/Nc2cccc(C#N)c2)ccc1OCC(=O)O 13269053 MSMKCEQTZFNVJA-UDWIEESQSA-N 339.351 2.866 30 40 EFEB C[C@H]1C[C@H](C)CN(C(=O)NC2CCN(c3ccc(C#N)cn3)CC2)C1 67470277 INVKQDQIYPUNHI-GJZGRUSLSA-N 341.459 2.610 30 40 EFEB COc1ccc([C@@H](C#N)NC(=O)c2cccc(CC#N)c2)c(OC)c1 69582485 RIVTYMSMHUMUND-QGZVFWFLSA-N 335.363 2.765 30 40 EFEB C=C(Br)CN1CCCN(C(=O)c2cccs2)CC1 71902321 QUVJHOQVMQYOLE-UHFFFAOYSA-N 329.263 2.805 30 40 EFEB CC/N=C1\S[C@@H](C(=O)Nc2cccc(OCC)c2)CC(=O)N1CC 17888840 ZQDSEQYBRDFNPG-MGPWXQLLSA-N 349.456 2.754 30 40 EFEB C[C@]1(C(=O)Nc2ccc(C#N)c(C#N)c2)Cc2ccccc2C(=O)O1 72292742 RIFLLDMSWLGCAI-LJQANCHMSA-N 331.331 2.540 30 40 EFEB CCN(CCC#N)C(=O)Cc1cccc(I)c1 84774715 QMNBBCUZHHMEMY-UHFFFAOYSA-N 342.180 2.596 30 40 EFEB CC(C)(C)[C@@H](C#N)NC(=O)[C@@H]1COc2ccc(Br)cc21 95443247 DGVGHMBNNQZJQW-DGCLKSJQSA-N 337.217 2.980 30 40 EFEB N#CCCCn1ccc(NC(=O)N2CCCC[C@H]2c2ncc[nH]2)n1 88389819 AKQPCVXFAVUZCT-ZDUSSCGKSA-N 327.392 2.669 30 40 EFEB CC(C)c1ccc(S(=O)(=O)ON2C(=O)c3ccccc3C2=O)cc1 26461893 RUOOZPLZLGKJMV-UHFFFAOYSA-N 345.376 2.727 30 40 EFEB COC(=O)c1ccc(/N=C/c2ccc(OCC(N)=O)cc2)cc1Cl 408962023 FQFVXAYDPXNLPQ-AWQFTUOYSA-N 346.770 2.741 30 40 EFEB C=CCCC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(C(C)=O)cc1 585114665 QINVSHPJRGLXHA-INIZCTEOSA-N 335.425 2.578 30 40 EFEB C=CCOC[C@]12CCCO[C@@H]1CCN(Cc1cccnc1OC)C2 96065026 PBGGRZCRGTXFQM-IEBWSBKVSA-N 332.444 2.664 30 40 EFEB Cc1c([C@H](C)NC[C@H](O)c2ccncc2)cnn1-c1ccc(C#N)cc1 97233940 LTBONSGFEFCRHK-XOBRGWDASA-N 347.422 2.832 30 40 EFEB C#C[C@@H](CO)NC(=O)Nc1cccc(COCCc2ccccc2)c1 585119967 CTKNATJFVFXIQX-SFHVURJKSA-N 338.407 2.562 30 40 EFEB N#C[C@]1(CO)[C@@H](c2ccc(Cl)cc2)[C@H]1S(=O)(=O)c1ccccc1 252515666 MLXAEWBNVQSIAH-BBWFWOEESA-N 347.823 2.782 30 40 EFEB N#Cc1cccc2c1CCN2C(=O)[C@@H]1[C@H]2CC[C@@H](O2)[C@@H]1C(F)(F)F 591521749 UOBNQBGCWZWUNE-TUVASFSCSA-N 336.313 2.803 30 40 EFEB CN(CCOc1cccc(C#N)c1)C(=O)c1ccc(-n2cccc2)nc1 84543474 QUENIDKDOUDCIN-UHFFFAOYSA-N 346.390 2.895 30 40 EFEB C=C1CC[C@@H]2[C@@](C)(CC[C@H](O)[C@@]2(C)CO)[C@H]1CCC1=CCOC1=O 5664620 GVRNTWSGBWPJGS-VYMYIBDJSA-N 334.456 2.992 30 40 EFEB O=C(O)C[C@@H](S/C(=N/[C@@H]1C=CCCC1)N1CCCCC1)C(=O)O 12363322 ISEWGGUUYPUOIZ-OCWZUINPSA-N 340.445 2.598 30 40 EFEB CC1(c2cccc([C@@H]3CCC4(C=CC3=O)OCCO4)c2)OCCO1 1634646 SEBJLTAXUNJIRE-INIZCTEOSA-N 330.380 2.652 30 40 EFEB N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)[C@@H]2CC=CCC2)CC1 24381002 XXEXZIRQFXZNJO-AEFFLSMTSA-N 327.403 2.891 30 40 EFEB N#Cc1cccnc1N1CCCN(C(=O)c2c[nH]c3ccccc23)CC1 56352735 BMQUMWQZEDLSSC-UHFFFAOYSA-N 345.406 2.787 30 40 EFEB O=C(O)c1cc(/N=C\c2ccc(N3CCOCC3)cc2)ccc1O 101742800 XDGYHWDAPPHGLK-UNOMPAQXSA-N 326.352 2.678 30 40 EFEB CCOc1cccc([C@H](C)NC(=O)CN(C)c2ccc(C#N)cn2)c1 65626297 MVWRXMFQAUQKBT-AWEZNQCLSA-N 338.411 2.666 30 40 EFEB Cn1nc(C(=O)Oc2ccc(-c3ccc(C#N)cc3)cc2)ccc1=O 14905698 XKWXSQUYFBMRHD-UHFFFAOYSA-N 331.331 2.538 30 40 EFEB C/C(=N\Nc1ccc2nncn2n1)c1ccc(Br)s1 4898999 OHBZAXRVYLJHKX-VGOFMYFVSA-N 337.206 2.784 30 40 EFEB C=CCN1C(=O)S/C(=C/c2cc(OC)c(O)c([N+](=O)[O-])c2)C1=O 409067213 OJRRYQMWUZBVDH-YRNVUSSQSA-N 336.325 2.531 30 40 EFEB N#Cc1ccc(N2CC[C@@H](Oc3cncc(Br)c3)C2)nc1 521398577 QYCCFCWVQJUNAP-CYBMUJFWSA-N 345.200 2.768 30 40 EFEB N#Cc1cccc(C(=O)N2CC[C@@H]3O[C@H](COCC4CC4)CC[C@@H]32)c1 247642609 IJYYLEQAJAJRFN-FHWLQOOXSA-N 340.423 2.747 30 40 EFEB Cc1ccc(C#N)c(N(C)C[C@@H]2CCCN(C)[C@H]2c2cncn2C)n1 585790414 OSALBRXITQFIHQ-FUHWJXTLSA-N 338.459 2.515 30 40 EFEB CN(CC#CCNC(=O)NCc1cccs1)Cc1ccccc1 85470644 ALKANXFYHOXDNS-UHFFFAOYSA-N 327.453 2.683 30 40 EFEB COc1ccc(S(=O)(=O)/N=C(\O)COC2CCCCC2)cc1 48585191 DOQBBZNLPJTPME-UHFFFAOYSA-N 327.402 2.690 30 40 EFEB O=C1ON=C(c2ccc([N+](=O)[O-])cc2)/C1=C/c1cccc([N+](=O)[O-])c1 12428870 ZQDVMQSDSFOOPW-ZROIWOOFSA-N 339.263 2.848 30 40 EFEB Cc1nc(/C(N)=N/OC(=O)c2sc3ccccc3c2Cl)no1 4656208 SPVQHQDSPGBPSY-UHFFFAOYSA-N 336.760 2.723 30 40 EFEB N#Cc1ccccc1NC(=O)C(=O)NCc1ccc(-c2ccoc2)o1 575610028 IXGJQCRXDBMUDA-UHFFFAOYSA-N 335.319 2.666 30 40 EFEB COC(=O)c1ccc(CCC2=CC(=O)C(Br)=CC2=O)cc1 1650090 PDYFADHVQVCWHT-UHFFFAOYSA-N 349.180 2.763 30 40 EFEB Cn1/c(=N\N=C\c2ccccc2OCCO)sc2ccccc21 102912114 UMKWHIVJKJRBCH-WPQXUMJZSA-N 327.409 2.546 30 40 EFEB C=C(Cl)CN1C(=O)N[C@](C)(c2ccc(OC(F)F)cc2)C1=O 8938671 SOAVFHQRPIZXPF-CQSZACIVSA-N 330.718 2.808 30 40 EFEB N#Cc1ccc(NC(=O)[C@H]2CCCN2C(=O)OCC(F)(F)F)cc1 65567788 VEKGMJHLJNEJDG-GFCCVEGCSA-N 341.289 2.660 30 40 EFEB CC(C)c1noc(CCCNC(=O)N(C)Cc2ccc(C#N)cc2)n1 65609949 LMEKCMKEAOUONI-UHFFFAOYSA-N 341.415 2.839 30 40 EFEB O=[N+]([O-])c1ccc(OC/C(O)=N/c2nc(C(F)(F)F)n[nH]2)cc1F 69118346 UPGMMOPQIWKHDJ-UHFFFAOYSA-N 349.200 2.538 30 40 EFEB Cc1oc(-n2cccc2)c(C#N)c1C(=O)N1CCC[C@@H](n2ccnc2)C1 70006300 LWHFWXJHVDIPDR-OAHLLOKOSA-N 349.394 2.924 30 40 EFEB CC(C)(C)CC(=O)N1CSC[C@@H]1C(=O)NCc1cccc(C#N)c1 69510467 ITBWZKWJVSHOLO-OAHLLOKOSA-N 345.468 2.512 30 40 EFEB C/N=C(\NCCCn1cccn1)N[C@H](C)c1cc(C)ccc1OC 95397692 LTFJFLUCAJXWDD-OAHLLOKOSA-N 329.448 2.516 30 40 EFEB C#CCCCCNS(=O)(=O)c1ccc(NC(C)=O)c2ccccc12 95993898 ABCFNAZRYBFAHB-UHFFFAOYSA-N 344.436 2.880 30 40 EFEB CCn1nc(C)c(/C(O)=N/S(=O)(=O)c2ccc(C)s2)c1Cl 76760524 GFINRQFVRPQFEH-UHFFFAOYSA-N 347.849 2.928 30 40 EFEB C#Cc1cccc(N(Cc2cccs2)C(=O)C2CN(C(C)=O)C2)c1 191052455 YOXFGRYPHWDWQU-UHFFFAOYSA-N 338.432 2.741 30 40 EFEB N#Cc1cccc(N2C[C@@]3(CCN(Cc4ccccn4)C3)CC2=O)c1 96238881 FONGJRHRZOMIBM-FQEVSTJZSA-N 332.407 2.582 30 40 EFEB Cn1cnc2cc(/C(O)=N/S(=O)(=O)c3ccccc3Cl)ccc21 96494948 RJQRNDGFBDNBQG-UHFFFAOYSA-N 349.799 2.920 30 40 EFEB Cc1nsc(N(C)C(=O)Cn2nc(C(F)(F)F)cc2C)c1C#N 585125124 HRNGDELSMJWMEZ-UHFFFAOYSA-N 343.334 2.510 30 40 EFEB Cc1ccc2c(c1)CC[C@@H]2NC(=O)CCc1c(C)[nH]c(=O)c(C#N)c1C 55659454 DTYWLPFTDQXHJA-IBGZPJMESA-N 349.434 2.908 30 40 EFEB O=C1c2ccccc2C(=O)N1/N=C/c1cc(Br)ccc1O 160724 FJJQCLDPXCSCAR-CAOOACKPSA-N 345.152 2.785 30 40 EFEB O=[N+]([O-])c1cccc(/C=N/n2c(S)nnc2-c2ccccc2)c1O 344585 CVSMYRJMGRMKLO-CXUHLZMHSA-N 341.352 2.730 30 40 EFEB Cc1ccc(F)c(NC(=O)CCc2c(C)[nH]c(=O)c(C#N)c2C)c1 19680776 QWQODIRGXLPAEM-UHFFFAOYSA-N 327.359 2.882 30 40 EFEB N#Cc1ccc(N2CCN(c3ccc(-c4ccccc4)nn3)CC2)nc1 1775974057 UXAVLZZDTJIKGG-UHFFFAOYSA-N 342.406 2.737 30 40 EFEB COc1ccc2c(c1)CCC[C@]2(O)CNC(=O)c1cccc(C#N)c1 218006079 XDOKSZGRGQIOIM-FQEVSTJZSA-N 336.391 2.521 30 40 EFEB O=[N+]([O-])c1ccc(NN=C2[C@H]3CC4C[C@H]2CC(O)(C4)C3)c([N+](=O)[O-])c1 100933185 QIGAXIMBSIOSMJ-UDPKNTEWSA-N 346.343 2.842 30 40 EFEB C=CCNC(=O)[C@@H]1CC(=O)N(CCCC)[C@@H]1c1ccc(OC)cc1 22689230 LDUHBHQFKSMIJZ-SJLPKXTDSA-N 330.428 2.687 30 40 EFEB Cc1ccc(-n2c(C)cc(/C=N/N[C@@H]3CCS(=O)(=O)C3)c2C)cc1 3170416 CRCMFQRMHLSTDA-HDZGYNCQSA-N 345.468 2.513 30 40 EFEB CC1(C)CC(=O)C2=C(C1)O[C@H]([N+](=O)[O-])[C@H]2c1cccc([N+](=O)[O-])c1 100929298 UQHRGGVWXVAUMF-ZFWWWQNUSA-N 332.312 2.955 30 40 EFEB CSc1nc(O)c(C(=O)N2CCc3ccccc3C2)cc1C#N 27605415 QBBPCEUNCDLALW-UHFFFAOYSA-N 325.393 2.579 30 40 EFEB CCOC(=O)[C@@H](CNC(=O)C1(C#N)CCCC1)Cc1ccccc1 58380842 CHENASNMOCCJMH-MRXNPFEDSA-N 328.412 2.609 30 40 EFEB Sc1nnc(-c2n[nH]c3c2CCC3)n1/N=C/c1ccccc1Cl 5626307 MYYHKHRNIRYFJN-CAOOACKPSA-N 344.831 2.981 30 40 EFEB CN(Cc1cnn(C)c1)C(=O)/C=C/c1cn(CCC#N)c2ccccc12 24474223 UKJKRYUGDUZNGW-CMDGGOBGSA-N 347.422 2.960 30 40 EFEB COc1cc(C(C)=O)ccc1OC[C@@H](O)CN(CCC#N)CC(C)C 8235340 SGVUECNNOVDFRW-KRWDZBQOSA-N 348.443 2.509 30 40 EFEB Cc1csc([C@H](C#N)C(=O)COC(=O)c2ccc(Cl)nc2)n1 8428305 XLKXZMZHKGFCSB-SNVBAGLBSA-N 335.772 2.533 30 40 EFEB C=CCNC(=O)[C@@H](C)NCC1(c2ccccc2Cl)CCOCC1 69811408 WYHQFRRTYPWXMD-CQSZACIVSA-N 336.863 2.669 30 40 EFEB CCN1CCN(/C(O)=N/[C@H]2C[C@H](c3ccc(Cl)cc3)C2)CC1=O 329982551 AKCJEHQMKTWZES-CTYIDZIISA-N 335.835 2.664 30 40 EFEB N#C[C@H]1[C@@H]2CCC3(C[C@@H]2CCN1C(=O)c1ccccc1)OCCO3 5808692 ZRESZLJDPVQHDJ-BBWFWOEESA-N 326.396 2.584 30 40 EFEB CC1=CN2C3=C(C(=O)CCC3)C3(O[C@H]2C=C1)C(=O)c1ccccc1C3=O 12416802 LZUITDAALALWKS-KRWDZBQOSA-N 347.370 2.943 30 40 EFEB C(=N/c1nnc2n(/N=C/c3cccs3)cnn12)\c1cccs1 62595 YSLCTTBJVSORIP-IROCBMIISA-N 327.398 2.682 30 40 EFEB N#Cc1cccnc1N1C[C@H]2CN(c3nc4ccc(F)cc4o3)C[C@@H]2C1 2086865911 ATRKVZVSCJDMII-KBPBESRZSA-N 349.369 2.806 30 40 EFEB C=CCN1C(=O)[C@@](O)(CC(=O)c2ccccc2OC)c2ccccc21 299885 QHGFPDMQUQOHFZ-HXUWFJFHSA-N 337.375 2.688 30 40 EFEB O=C(c1ccc(Br)cc1)[C@@H]1O[C@@]12C(=O)Nc1ccccc12 1616785 UCKFKFBLVZYYNZ-GOEBONIOSA-N 344.164 2.878 30 40 EFEB C[C@]12CC(=O)[C@@]3(F)[C@H](CCC4=CC(=O)C=C[C@@]43C)[C@@H]1CCC(=O)O2 8616256 YIGCZRBQSHBYRL-ACOUUOOQSA-N 332.371 2.861 30 40 EFEB C=CCn1c(=S)[nH]c2cc(C(=O)Nc3cc(C)on3)ccc2c1=O 12556434 IOBDUORJYRLNND-UHFFFAOYSA-N 342.380 2.794 30 40 EFEB COc1ccc(OCCS(=O)(=O)Nc2ccc(CC#N)cc2)cc1 71916544 NZDJNANDMCXTFZ-UHFFFAOYSA-N 346.408 2.582 30 40 EFEB N#Cc1ccc(COC(=O)[C@@H]2CCCN2C(=O)c2cccs2)cc1 3298487 LSAQPHWTEOVTNH-HNNXBMFYSA-N 340.404 2.968 30 40 EFEB COc1cc(OC)c(OC)cc1/C=N/Nc1ccc(C(=O)O)cc1 13350894 BJVFANXHSAWCTH-VCHYOVAHSA-N 330.340 2.857 30 40 EFEB CCOc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1C#N 4727379 PYPICSYHLLUVQK-UHFFFAOYSA-N 328.393 2.708 30 40 EFEB CC(=O)c1ccc(Cl)c(Cl)c1OCC(=O)N(C)CCC#N 67784521 DJYSCSXYHGHEPX-UHFFFAOYSA-N 329.183 2.947 30 40 EFEB CCOC(=O)[C@H](NC(=S)N/N=C/c1ccccc1)c1ccccc1 96346059 QVWYDUULFLZKMF-CXDFQFJYSA-N 341.436 2.789 30 40 EFEB CC[C@@](C)(C#N)NC(=O)c1csc(-c2ccc3c(c2)OCO3)n1 69703423 IUNQAWVHUTXSML-INIZCTEOSA-N 329.381 2.961 30 40 EFEB CCN(Cc1ccccn1)S(=O)(=O)c1ccc(C#N)cc1Cl 97054070 HBGVHCDCVMCARH-UHFFFAOYSA-N 335.816 2.817 30 40 EFEB Cc1cc(NCCCc2nn(-c3ccccc3)c(N)c2C#N)nc(C)n1 32827742 KDNSEXKWJBNIQE-UHFFFAOYSA-N 347.426 2.778 30 40 EFEB CCc1ncc(CN(C)S(=O)(=O)c2cccc(F)c2C#N)s1 96427968 XPRZSNGDDFMZTK-UHFFFAOYSA-N 339.417 2.537 30 40 EFEB Cc1ccc(=O)n(CC(=O)Nc2ccccc2C#Cc2ccccc2)n1 96445173 BICFPUJRSJFYGP-UHFFFAOYSA-N 343.386 2.590 30 40 EFEB N#C[C@@H]1CCC[C@H]1NC(=O)c1nn(-c2cccc(Cl)c2)cc1O 597338416 HKOYOVMNFGWHST-GXFFZTMASA-N 330.775 2.653 30 40 EFEB COc1ccccc1N1CCN([C@@H]2/C(=N/O)Cc3ccccc32)CC1 6398767 GREUMLUNNGVTLB-HKRCYGBASA-N 337.423 2.945 30 40 EFEB COCc1cn(C2C[C@@H]3CC[C@H](C2)N3Cc2cccc(C#N)c2)nn1 1888849696 NCKVMWNZTIZQDO-DFNIBXOVSA-N 337.427 2.664 30 40 EFEB CCC(=O)Oc1ccc(C(=O)O/N=C(\N)c2ccc(C)cc2)cc1 8570278 QDSGQJXJPSTVOX-UHFFFAOYSA-N 326.352 2.788 30 40 EFEB Cc1ccc(CNC(=O)[C@H](C#N)C(=O)[C@@H]2COc3ccccc3C2)cc1 101162167 TXAMDMKIYFPYFR-ZWKOTPCHSA-N 348.402 2.571 30 40 EFEB Cc1ccc(C)c(S(=O)(=O)N(CCC#N)Cc2cccnc2)c1 42136892 YRYWOWXJLORCME-UHFFFAOYSA-N 329.425 2.803 30 40 EFEB N#CCNC(=O)Cc1cnc(-c2ccc(OC(F)(F)F)cc2)s1 12409436 VJBPRDBZMOEGOC-UHFFFAOYSA-N 341.314 2.891 30 40 EFEB O=C1C=CC(=Nc2cc(S(=O)(=O)O)c(O)c3ccccc23)C=C1 4416662 KFRLVQZRDFFZBO-UHFFFAOYSA-N 329.333 2.560 30 40 EFEB CCN(CC)[C@@H](CNS(=O)(=O)c1ccc(C#N)cc1)c1ccco1 60198804 BSFZWPHDIRFVDB-INIZCTEOSA-N 347.440 2.513 30 40 EFEB O=C(O)c1cccc(N/N=C/c2ccc(N3CCOCC3)cc2)c1 6335411 QJNINULUCXUHSB-CPNJWEJPSA-N 325.368 2.667 30 40 EFEB N#Cc1ccc(SCC(=O)N2CCCC2=O)cc1C(F)(F)F 96007247 ZFSIYWHEJMGCPG-UHFFFAOYSA-N 328.315 2.818 30 40 EFEB Cc1csc([C@@H](C#N)C(=O)COC(=O)[C@]2(C)CC2(Cl)Cl)n1 6510261 VJVJEFKEKAUINF-UFBFGSQYSA-N 347.223 2.755 30 40 EFEB Cc1cccc(NC2CCN(CC(=O)Nc3cccc(C#N)c3)CC2)n1 70020018 MQCNADCGYZILGC-UHFFFAOYSA-N 349.438 2.777 30 40 EFEB C#CCN1CCC(C(=O)Nc2cccc(-c3nc(C4CC4)n[nH]3)c2)CC1 69451493 AVFVCINGDOGENR-UHFFFAOYSA-N 349.438 2.633 30 40 EFEB CCOc1ccc(OCC)c(N/C(N)=N/C[C@@H](C)Cn2cccn2)c1 72272509 ATPPFIQWKVQPQI-CQSZACIVSA-N 345.447 2.743 30 40 EFEB Cc1[nH]c(=O)c(C#N)c(C)c1CCc1nc(-c2ccsc2)no1 72274892 BIEBITIYJUMCFN-UHFFFAOYSA-N 326.381 2.760 30 40 EFEB Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N1CC[C@@H]1c1ccccc1 75119906 PZBIRDLVKWUXLP-GOSISDBHSA-N 335.407 2.770 30 40 EFEB N#Cc1ccc(S(=O)(=O)CCN2CCC[C@H]2c2ccncc2)cc1 89781006 NFEJCWMTHZGIQT-SFHVURJKSA-N 341.436 2.564 30 40 EFEB Cc1ccc(N2C(=O)[C@H](/C=N\c3ccccc3)C(=O)NC2=S)cc1 408765428 VWPLNISHVWXAID-MXDDHBLUSA-N 337.404 2.761 30 40 EFEB CCN(c1ccc(CC#N)cc1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 225005450 LMUPTKIHAMBJJY-UHFFFAOYSA-N 345.380 2.876 30 40 EFEB C=CCNC(=O)c1ccccc1NC(=O)COc1ccccc1F 143324696 WNTOHWPPQFGTFW-UHFFFAOYSA-N 328.343 2.759 30 40 EFEB Cc1nc2c3c(F)cccc3nn2c(C)c1C/C(O)=N/c1ncn[nH]1 95479104 WXQNFAWSTKQKLY-UHFFFAOYSA-N 339.334 2.587 30 40 EFEB CCO[C@@H]1CCC[C@H]1S(=O)(=O)Oc1ccc(C#N)cc1Cl 1615586824 ZTDQDVLJLJZAET-ZIAGYGMSSA-N 329.805 2.878 30 40 EFEB C[C@@H](CC#N)N1CCN([C@H](C)c2nc(-c3ccccc3)no2)CC1 53609616 XSPTZRANVNTSAH-LSDHHAIUSA-N 325.416 2.717 30 40 EFEB COc1ccc([C@H](C#N)NC(=O)Cc2cc(F)ccc2F)c(OC)c1 95403515 YVOCGZYPKDBKGX-INIZCTEOSA-N 346.333 2.906 30 40 EFEB O=[N+]([O-])c1ccc(S(=O)(=O)N/N=C\C=C\c2ccccc2)cc1 17146134 BWMATZJVVOZBAS-RYWHRAMASA-N 331.353 2.572 30 40 EFEB N#Cc1cccc(C(=O)N2CCCN(C3CCSCC3)CC2)c1 575615674 GXVAMGLHEMLFLM-UHFFFAOYSA-N 329.469 2.602 30 40 EFEB CCCCCC/C=N\NS(=O)(=O)c1ccc(NC(C)=O)cc1 104326878 YHZKEFKDBVKBJS-VBKFSLOCSA-N 325.434 2.880 30 40 EFEB C[C@@H](CNC(=O)OC(C)(C)C)N(C)C(=O)Nc1cccc(C#N)c1 69737324 QMECGGCKDKVYNX-LBPRGKRZSA-N 332.404 2.935 30 40 EFEB COc1cc(/C=N/N(C)C)ccc1OS(=O)(=O)c1ccc(C)cc1 408949462 FMMBPVRJNGGXIQ-LDADJPATSA-N 348.424 2.667 30 40 EFEB Cc1nnc(=O)[nH]c1N/N=C/c1ccc(OCCc2ccccc2)cc1 4422727 CYCTXPAEDPRMDC-DEDYPNTBSA-N 349.394 2.541 30 40 EFEB C[C@H](/C(O)=N/S(=O)(=O)c1cnn(C)c1)c1ccc(Cl)s1 95408921 PONMWWVSGZXFEG-ZETCQYMHSA-N 333.822 2.584 30 40 EFEB COc1c2c(cc3c1[C@H](C/C(=N/O)C(F)(F)F)N(C)CC3)OCO2 20411371 SSLINGPLJYLXKA-SHDGIHNSSA-N 346.305 2.736 30 40 EFEB biogenic C#CCOc1cccc(NC(=O)NC[C@@](C)(O)c2cccs2)c1 96418069 OIQCXSOKUBPDJL-QGZVFWFLSA-N 330.409 2.789 30 40 EFEB Cc1ccc([C@@H](NC(=O)Cn2ccc(C)c(C#N)c2=O)C2CC2)cc1 97094727 GFWOVLPSMKOYIH-LJQANCHMSA-N 335.407 2.604 30 40 EFEB Cc1ccccc1-c1nc(C#N)c(NC[C@H](C)N2CCN(C)CC2)o1 72238488 FQZIOQNXUIFSPQ-HNNXBMFYSA-N 339.443 2.570 30 40 EFEB COc1cccc(/C=N/c2cccc(C(=O)O)c2)c1O[C@H](C)C(=O)O 409240996 MSLHWQMCXQYLID-VURRPDKYSA-N 343.335 2.996 30 40 EFEB Cc1cc(/N=C\c2ccc(OCC(N)=O)cc2)cc([N+](=O)[O-])c1C 408904880 PXUKYSXRIXUXEV-OCKHKDLRSA-N 327.340 2.826 30 40 EFEB O=C1Nc2c(O)cc(Cl)cc2[C@](C#CC2(O)CC2)(C(F)(F)F)O1 35644100 WILFXLMJFSKQRP-CYBMUJFWSA-N 347.676 2.894 30 40 EFEB in-vitro C=CCNC(=O)CC1(N2Cc3ccccc3C2=O)CCSCC1 1565524810 OPDZJVAMFQGFKE-UHFFFAOYSA-N 330.453 2.601 30 40 EFEB N#Cc1nccnc1Nc1cccc(C[S@](=O)C2CCOCC2)c1 96406561 YRWPRVLQFULOHH-XMMPIXPASA-N 342.424 2.520 30 40 EFEB CC(C)(C)c1nc(CC(=O)Nc2nc3n(c2C#N)CCS3)cs1 96410987 PPXBXVVSIRJBHR-UHFFFAOYSA-N 347.469 2.796 30 40 EFEB C=CCO[C@H](C)C(=O)Nc1cccc(NC(=O)[C@@H](C)n2cccn2)c1 71831403 DZVZQVYUPBJFKU-ZIAGYGMSSA-N 342.399 2.612 30 40 EFEB Cc1csc([C@@H](C#N)C(=O)c2cn(Cc3cccs3)nn2)n1 76089778 RNPCWEOWCCUWMP-NSHDSACASA-N 329.410 2.643 30 40 EFEB C=CCn1c(CC(=O)OC)cs/c1=N\c1ccc(C(C)=O)cc1 12559535 HOOUNZPUCSJEPP-ZCXUNETKSA-N 330.409 2.886 30 40 EFEB COc1cccc([C@H]2C(C(C)=O)=C(O)C(=O)N2Cc2ccco2)c1 34865 JJKDBGRWJQFFPS-INIZCTEOSA-N 327.336 2.773 30 40 EFEB CN1C(=S)SC(C)(C)[C@H]1/[N+]([O-])=C/c1cccc([N+](=O)[O-])c1 1306803 JTIBQTMTDWDUTR-SHLUWWQESA-N 325.415 2.592 30 40 EFEB Cc1nccn1[C@H]1CCCN([C@H](C)C(=O)NC2(C#N)CCCCC2)C1 106785399 YCVMLBDAGKAGSZ-WBVHZDCISA-N 343.475 2.560 30 40 EFEB N#Cc1ccc(N2CCN(Cn3cc(-c4ccccc4)cn3)CC2)nc1 58247876 MZTXTZZXSOOCNE-UHFFFAOYSA-N 344.422 2.596 30 40 EFEB C=CCn1c(=S)[nH]c(=O)c2c(C(=O)OC)cc(-c3ccco3)nc21 36617258 LIHQIIBXPOMRMX-UHFFFAOYSA-N 343.364 2.687 30 40 EFEB Cc1nc2ccccc2n1CCSc1nc(N)c(C#N)cc1C#N 97230443 VFLXFBSOICUUNX-UHFFFAOYSA-N 334.408 2.858 30 40 EFEB C[C@@H](OC(=O)c1ccc(Cl)cc1N)C(=O)Nc1cccc(C#N)c1 5118330 NMVXOISQGBJXFA-SNVBAGLBSA-N 343.770 2.978 30 40 EFEB CCN1C[C@H](C(=O)Nc2ccccc2SC[C@@H](C)C#N)CC1=O 65453493 GIAFWYWWYMYWLB-QWHCGFSZSA-N 331.441 2.745 30 40 EFEB CC1(C)Cc2c(sc(NC(=O)NC[C@H]3CCCO3)c2C#N)CO1 6662871 SQBGKEGBQBEYLT-SNVBAGLBSA-N 335.429 2.772 30 40 EFEB CCN(CC)CC1CCN(C(=O)[C@@H](C)Oc2ccccc2C#N)CC1 69415862 MTGHJHHQHZVVSR-MRXNPFEDSA-N 343.471 2.906 30 40 EFEB Cc1ccc(-c2noc(CCC(=O)N[C@H](C#N)C3CC3)n2)cc1F 69874201 UBCUNHAQHLGPBC-CQSZACIVSA-N 328.347 2.535 30 40 EFEB COc1ccc(/C=C2/CS(=O)(=O)c3ccc(F)cc3C2=O)cc1 96765584 LNJQZHHKUMNEIF-WQLSENKSSA-N 332.352 2.888 30 40 EFEB N#CCSCCCN1CCN(C(=O)c2ccc(Cl)cc2)CC1 74980392 PVYUCQPSGCVNEU-UHFFFAOYSA-N 337.876 2.745 30 40 EFEB N#Cc1ccc(F)c(CNC(=O)Nc2cnn(CC(F)(F)F)c2)c1 76070141 OUHJPGREKRSBPD-UHFFFAOYSA-N 341.268 2.778 30 40 EFEB N#Cc1ccc(Br)c(CS(=O)(=O)c2nccs2)c1 191722581 ASOMRSASJHRDKQ-UHFFFAOYSA-N 343.227 2.751 30 40 EFEB C=CCOC[C@@]12CCCO[C@H]1CCN(C(=O)COc1ccccc1)C2 96039684 LQZIJVWBJUMOEU-ICSRJNTNSA-N 345.439 2.666 30 40 EFEB CCc1nc(C#N)cc(N2CCC(Nc3ccccc3C#N)CC2)n1 583652004 XWGFGPWLTGHGDT-UHFFFAOYSA-N 332.411 2.863 30 40 EFEB COc1ccc(C#Cc2ccc(C(=O)N3CCC[C@H](CO)C3)cc2)cc1 95560372 VSLWUPHHCFQTDB-IBGZPJMESA-N 349.430 2.940 30 40 EFEB N#Cc1ccc(NCC(=O)Nc2cnn([C@H]3CCCCO3)c2)cc1 585128206 VSPDKHJPEJKHQW-QGZVFWFLSA-N 325.372 2.504 30 40 EFEB CN(C)c1ccc([C@@H]2CCCN2Cc2cccc(C#N)c2F)nn1 591625581 TWUOEVMLWMOLQS-INIZCTEOSA-N 325.391 2.890 30 40 EFEB Cc1ncsc1C(=O)N1CCC(COc2cc(C#N)ccn2)CC1 1775995958 OQCYBYRZMLAJBX-UHFFFAOYSA-N 342.424 2.649 30 40 EFEB C=C1CC[C@H]2[C@](C)(CO)[C@H](O)CC[C@@]2(C)[C@@H]1/C=C/C1=CCOC1=O 4073339 XMJAJFVLHDIEHF-ZFJNJNTNSA-N 332.440 2.768 30 40 EFEB in-vitro N#Cc1c(NC(=O)[C@H]2[C@@H]3C=C[C@@H](CC3)[C@@H]2C(=O)O)sc2c1CCC2 17071529 OZJNFSGUQNDZEB-QPNXVFALSA-N 342.420 2.960 30 40 EFEB Cc1cc2c(N3CCC[C@H](COc4cc(C#N)ccn4)C3)nccn2n1 1889143359 ZBFCSYHZRAJWOO-INIZCTEOSA-N 348.410 2.600 30 40 EFEB Cn1cc(-c2cncc(CNC(=O)CCc3ccc(C#N)cc3)c2)cn1 575414287 BCSNKKNOXJXDIO-UHFFFAOYSA-N 345.406 2.603 30 40 EFEB N#Cc1nc(N)n(CC(=O)Nc2ccc(-c3ccccc3)cc2)c1C#N 32810184 IPZFUDAOGKMBST-UHFFFAOYSA-N 342.362 2.514 30 40 EFEB Cc1nc2c3ccccc3nn2c(C)c1CCC(=O)N[C@@H](C)CC#N 58419791 KAFYJKMUGNPHNV-LBPRGKRZSA-N 335.411 2.850 30 40 EFEB C=CC[C@@H]1N([C@H](C)c2ccccc2)C(=O)[C@@H]2[C@@H](C(=O)O)[C@H]3C=C[C@@]12O3 4028782 YWYCUWTWYARELT-NTMFIOTMSA-N 339.391 2.559 30 40 EFEB biogenic C/C(Cn1nnc2ccccc21)=N/OC(=O)c1c(F)cccc1F 4120590 VDVNXPKDYQKURS-JMIUGGIZSA-N 330.294 2.942 30 40 EFEB C=CCN1C(=O)N/C(=C/c2cc(C)n(-c3ccc(O)cc3)c2C)C1=O 409148244 XZPCMKYQEFNANI-GZTJUZNOSA-N 337.379 2.878 30 40 EFEB N#C[C@H](C(=O)CNC(=O)OCc1ccccc1)c1nc2ccccc2o1 65652465 BWZDSUVHJZQSBD-CQSZACIVSA-N 349.346 2.930 30 40 EFEB O=C1CSC(N/N=C/c2cccc(OCc3ccccc3)c2)=N1 4679565 KKCCTTASIFQCFM-VCHYOVAHSA-N 325.393 2.819 30 40 EFEB C/C(=N/Nc1ccc2nncn2n1)c1ccc(Br)cc1 4905429 VFKKKTFMLUCFQM-SXGWCWSVSA-N 331.177 2.723 30 40 EFEB CCN(C[C@H](C)C#N)C(=O)[C@H](c1ccccc1)N1CCCCC1=O 69369717 GLJCQROUXSDTRS-QAPCUYQASA-N 327.428 2.748 30 40 EFEB CN(Cc1ccc(C#N)cc1)C(=O)[C@H]1CCCN1C(=O)C1CCCC1 69699667 QZVQKDREWFLICH-GOSISDBHSA-N 339.439 2.698 30 40 EFEB Cn1cc([C@H]2CCCN2C(=O)c2cc3ccccc3n2CC#N)cn1 71847563 BGFKEJSQKQMXAL-QGZVFWFLSA-N 333.395 2.876 30 40 EFEB CC(=O)N(CCC(=O)N[C@@H](C#N)c1ccsc1)Cc1ccccc1 69845968 OBOSDCUQPLICNT-KRWDZBQOSA-N 341.436 2.868 30 40 EFEB COc1cccc(CC(=O)NC2CCN(c3ccccc3C#N)CC2)c1 72277254 XGLHOBDOHXYGPM-UHFFFAOYSA-N 349.434 2.895 30 40 EFEB Cc1cc(C)n(CC(=O)Nc2nc3ccccc3s2)c(=O)c1C#N 409411773 LDZBDOZKIGJXBF-UHFFFAOYSA-N 338.392 2.585 30 40 EFEB CC(C)(C)C(=O)N1CCCN(c2ccc([N+](=O)[O-])c(C#N)c2)CC1 195565365 WTXDOSYOIIDDFD-UHFFFAOYSA-N 330.388 2.551 30 40 EFEB Cc1cc(Br)cc(S(=O)(=O)N(C)[C@@H](C)CC#N)c1 195571804 YQERKIUHFLUKDY-JTQLQIEISA-N 331.235 2.680 30 40 EFEB N#Cc1cccc(N[C@@H]2CO[C@@]3(CCCN(Cc4ccco4)C3)C2)n1 96223056 ZBVLANSVYBABPF-LPHOPBHVSA-N 338.411 2.782 30 40 EFEB COc1ccc(CNC(=O)[C@H](O)c2ccccc2Cl)cc1C#N 95450605 BMSVWYCJMCYVQK-MRXNPFEDSA-N 330.771 2.570 30 40 EFEB CN(C)C[C@@H](NC(=O)NCC1(CC#N)CC1)c1ccc(Cl)cc1 252497154 PZZWFBUENYGJQJ-OAHLLOKOSA-N 334.851 2.936 30 40 EFEB CC(C)(C)OC(=O)N1[C@H]2CC[C@H]1CC(CNc1ccc(C#N)nn1)C2 1614995042 SYBDTGVQVFRTAG-GJZGRUSLSA-N 343.431 2.938 30 40 EFEB COC(=O)C[C@@H]1CCCCN1CC(=O)Nc1ccc(C#N)c(Cl)c1 54394361 PSCQDVPMSAAEQW-AWEZNQCLSA-N 349.818 2.568 30 40 EFEB N#Cc1ccsc1NC(=O)CSc1nnc2n1CCCCC2 6097436 JVADDRJMFKMDMW-UHFFFAOYSA-N 333.442 2.668 30 40 EFEB CC(=O)/C(=N/Nc1ccccc1)Sc1nnnn1-c1ccccc1 100755941 YPUOQKVZPAYSGJ-SDXDJHTJSA-N 338.396 2.769 30 40 EFEB COc1ccc(N(C[C@H]2CO2)S(=O)(=O)c2ccc(C)cc2)cc1 380661 FQLUWXFICBSXDG-INIZCTEOSA-N 333.409 2.598 30 40 EFEB N#Cc1cccc(NC(=O)CNc2ccccc2N2CCCC2=O)c1 12517039 FWAXKAHINAOWON-UHFFFAOYSA-N 334.379 2.736 30 40 EFEB N#CCSc1ccccc1NC(=O)COc1cccnc1[N+](=O)[O-] 12635034 NUVDIUNCBSODKI-UHFFFAOYSA-N 344.352 2.623 30 40 EFEB Cc1ccccc1/N=C/[C@@H]1C(=O)NC(=S)N(c2ccccc2)C1=O 408742116 UYMGNMOBLLGTOP-HIPSJFSSSA-N 337.404 2.761 30 40 EFEB CCOc1ccc(S(=O)(=O)/N=C(\O)c2ccc3c(c2)CCO3)cc1 48452453 GNCJJNGPNZSLTJ-UHFFFAOYSA-N 347.392 2.714 30 40 EFEB CCOC(=O)C/C(C)=N/Nc1oc(-c2ccccc2)nc1C(=O)OC 71195122 QQGWSFUKEZNMFE-YBFXNURJSA-N 345.355 2.869 30 40 EFEB CCc1noc(C)c1C(=O)O[C@H](C)C(=O)Nc1cccc(C#N)c1 5167756 KDWROSVTEZPGHD-LLVKDONJSA-N 327.340 2.601 30 40 EFEB C=CCNC(=O)c1c(NC(=O)c2csnn2)sc2c1CCCC2 9250911 BFTJFBNRWBCOKV-UHFFFAOYSA-N 348.453 2.647 30 40 EFEB CC(C)[C@@](C)(C#N)NC(=O)COC(=O)c1ccc2c(c1)CCCC2 6604779 MCKOIJYTNSLALW-LJQANCHMSA-N 328.412 2.777 30 40 EFEB C=CCNc1nnc(SCc2nc3ccccc3c(=O)[nH]2)s1 5754083 FREZXEZFLAGQSG-UHFFFAOYSA-N 331.426 2.665 30 40 EFEB N#CC1(NC(=O)COc2ccccc2OCC(F)(F)F)CCCC1 69382509 BKAQJWBZWLGRRZ-UHFFFAOYSA-N 342.317 2.959 30 40 EFEB N#Cc1ccc(OC2CCN(C(=O)c3cccnc3S)CC2)cc1 71803303 IMECRHNDRHBEBZ-UHFFFAOYSA-N 339.420 2.926 30 40 EFEB Cc1cccc2c(=O)n(CCC(=O)N[C@](C)(C#N)CC(C)C)cnc12 95957868 FDNFGJXOMWLOMT-IBGZPJMESA-N 340.427 2.540 30 40 EFEB C=CCN1C(=O)S/C(=C/c2cc(OC)c(OC)c(OC)c2)C1=O 409075680 TXAHGXFIVOMSSB-UKTHLTGXSA-N 335.381 2.935 30 40 EFEB N#CC1(C(=O)NCCC2CCN(CC(F)(F)F)CC2)CCCC1 96451657 QWEUZQCASCEHHT-UHFFFAOYSA-N 331.382 2.851 30 40 EFEB COc1cccc(N2CC[C@H](CNc3nnc(C)c(C)c3C#N)C2)c1 69349555 GLBOXEPGLPIDKQ-OAHLLOKOSA-N 337.427 2.912 30 40 EFEB CC(C)N(CC#N)C(=O)Cc1cccc(I)c1 89869515 ZAXGHLXQIRVEJP-UHFFFAOYSA-N 342.180 2.594 30 40 EFEB N#Cc1cnc(NCC2CCN(C(=O)C(F)(F)F)CC2)c(Cl)c1 84928013 CZEYBRGQOQRNNG-UHFFFAOYSA-N 346.740 2.819 30 40 EFEB CC/N=C1\NC(=O)[C@@H](CC(=O)Nc2cccc(Cl)c2Cl)S1 6349368 VKUGQJUYVJEFAA-SECBINFHSA-N 346.239 2.930 30 40 EFEB C=C(C)CN1CCC(NC(=O)N(C)C[C@@H](C)c2nccs2)CC1 97086238 LDQDUHDIHXKITN-CQSZACIVSA-N 336.505 2.929 30 40 EFEB Cc1ccccc1-c1nc(C#N)c(NC[C@H](C)N2CCOCC2)o1 72238484 PVQUFUIGPOVUSA-AWEZNQCLSA-N 326.400 2.654 30 40 EFEB C=CCN(CCc1ccccc1)C(=O)C1CCN(C(=O)C2CC2)CC1 58280123 SITQHZUTYCOWQA-UHFFFAOYSA-N 340.467 2.892 30 40 EFEB CCCCCNC(=O)[C@H](C#N)c1nc2ccccc2nc1OCC 5030700 SGRDDZRKSFHXNN-CYBMUJFWSA-N 326.400 2.942 30 40 EFEB COc1cc(/C=N/Nc2nc3ccccc3[nH]2)c([N+](=O)[O-])cc1OC 5728249 NTDLPECXBSMGRP-RQZCQDPDSA-N 341.327 2.934 30 40 EFEB N#C[C@H](NC(=O)CCNC(=O)c1ccco1)c1c(F)cccc1Cl 69618756 OSNWQJBSKZXVGP-LBPRGKRZSA-N 349.749 2.573 30 40 EFEB C=CCNC(=O)c1cc(C)c2c(c1)-c1ccccc1S(=O)(=O)N2C 216891646 DZSLSPBOYYBWQL-UHFFFAOYSA-N 342.420 2.716 30 40 EFEB CCCNC(=O)c1cccc(C(=O)[C@@H](C#N)c2nc(C)cc(C)n2)c1 96422128 AENIRRWKCMQXOQ-MRXNPFEDSA-N 336.395 2.723 30 40 EFEB CN(C)CCOc1ccc(NC(=O)c2ccc(C#N)cn2)cc1Cl 96408498 GGIDGWMCESNUCW-UHFFFAOYSA-N 344.802 2.799 30 40 EFEB C#Cc1cccc(NC(=O)C(=O)NCc2csc(C(C)(C)C)n2)c1 69769416 BPOOCPFURLYGPK-UHFFFAOYSA-N 341.436 2.677 30 40 EFEB C[S@](=O)CCNC(=O)c1ccc(Oc2cccc(F)c2C#N)cc1 78765131 YYENYPHXEVGVAQ-XMMPIXPASA-N 346.383 2.598 30 40 EFEB COCCCn1c(SCC#N)nnc1-c1ccc(OC)c(OC)c1 8511483 AWUINDRDZRISHR-UHFFFAOYSA-N 348.428 2.614 30 40 EFEB CC[C@@H](C)C(=O)NCCCc1nn(-c2ccc(F)cc2)c(N)c1C#N 25166119 KNCDJVHSBYDPAG-GFCCVEGCSA-N 343.406 2.560 30 40 EFEB C#Cc1cccc(NCC(=O)N2c3ccccc3NC(=O)C[C@@H]2C)c1 12522614 XQBSXEZWDJZUAU-AWEZNQCLSA-N 333.391 2.844 30 40 EFEB N#Cc1cccc(NC(=O)c2c[nH]nc2-c2ccc3c(c2)OCCO3)c1 12547734 LBWUYNXSUXDESC-UHFFFAOYSA-N 346.346 2.972 30 40 EFEB C=CCCC(=O)N1CCCN(Cc2cn3cc(Cl)ccc3n2)CC1 72292923 UGSCCYJKLYESJK-UHFFFAOYSA-N 346.862 2.988 30 40 EFEB C=CCn1c(SCC(=O)N[C@H](C)C(C)C)nc2ccccc2c1=O 3425204 KBGHOSNFHRXZOZ-CYBMUJFWSA-N 345.468 2.835 30 40 EFEB N#Cc1cccc(C(=O)N2CC3(C2)OCC[C@H]3CCOCC2CC2)c1 306135798 PBGCHGBGTBPEIA-GOSISDBHSA-N 340.423 2.606 30 40 EFEB N#Cc1c(Cn2cc(C(N)=O)c(-c3ccccc3)n2)cn2ccccc12 65491810 KROFEGUYNGRXHX-UHFFFAOYSA-N 341.374 2.822 30 40 EFEB Cc1cc(C)nc(SCC(=O)NCc2ccc(C#N)cc2F)n1 69894670 HVUVCLZXTJSUFK-UHFFFAOYSA-N 330.388 2.513 30 40 EFEB CC/N=C(/NCCc1ccn(C(C)C)n1)NCc1ccc(Cl)nc1 95963035 FWIUWLUGXQAYEE-UHFFFAOYSA-N 348.882 2.810 30 40 EFEB COc1cccc(/C=N/c2ccc(C(=O)O)cc2)c1O[C@H](C)C(=O)O 409232038 GSDDBRDIWXPYMI-VURRPDKYSA-N 343.335 2.996 30 40 EFEB N#Cc1cccc(S(=O)(=O)N[C@@H]2CCC[C@@H](C(F)(F)F)C2)c1 25375726 DIWBQBFEOZDARE-VXGBXAGGSA-N 332.347 2.958 30 40 EFEB N#Cc1cccc(CS(=O)(=O)N2CC=C(C(F)(F)F)CC2)c1 270158056 FBUNWORXZBTUMK-UHFFFAOYSA-N 330.331 2.582 30 40 EFEB C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N1CCO[C@H](c2ccc(F)cc2)C1 281785383 KVZBSLHQRPEQPR-SZMVWBNQSA-N 348.418 2.890 30 40 EFEB Cc1ccc2[nH]cc(C#N)c(=NC[C@@H]3CCO[C@H]3c3nccn3C)c2c1 596503198 FHGXCUNZYXVOBB-IFXJQAMLSA-N 347.422 2.760 30 40 EFEB N#Cc1cccc(CS(=O)(=O)NC2CC(c3ccccc3)C2)c1 70040252 MBJLLCWXWHOHPV-UHFFFAOYSA-N 326.421 2.924 30 40 EFEB Cc1cccc(N2CCN(C(=O)[C@H](C)Oc3ccc(C#N)cc3)CC2)c1 16281195 SZCVCDMOSBCIRS-KRWDZBQOSA-N 349.434 2.983 30 40 EFEB CN/C(S)=N/N=C\c1ccc(OC(=O)c2ccccc2)c(OC)c1 4514615 GPJAPGJMDRXLGQ-ODLFYWEKSA-N 343.408 2.754 30 40 EFEB C[C@@H]1CN(c2ncc(C#N)cc2Cl)CCN1Cc1ccncc1F 2086928194 LLHRZQDTYXNGLK-GFCCVEGCSA-N 345.809 2.851 30 40 EFEB C[C@H]1CCc2c(sc(NC(=O)CCN3CCO[C@H](C)C3)c2C#N)C1 40025027 NJWLCCXXBYHDFT-QWHCGFSZSA-N 347.484 2.794 30 40 EFEB C=CCN1C(=O)[C@@H](C(=O)NC(C)(C)C)[C@H]2C[C@]1(C)Oc1ccccc12 488296 DHNCWQIFLXBPEU-NBQZKYEYSA-N 342.439 2.828 30 40 EFEB N#Cc1ccc(F)c(CNC(=O)NCc2ccccc2-n2ccnc2)c1 78940582 XKPSRMDMAQOWMK-UHFFFAOYSA-N 349.369 2.882 30 40 EFEB CCNC(=S)N/N=C/c1ccc(-c2cc([N+](=O)[O-])ccc2C)o1 6891539 OERNBAZVLQFXNB-RQZCQDPDSA-N 332.385 2.981 30 40 EFEB CC(C)CCO[C@H](C)/C(O)=N/S(=O)(=O)Cc1ccc(C#N)cc1 58392006 RPRRJFVFVHIEMJ-CYBMUJFWSA-N 338.429 2.796 30 40 EFEB CC(=O)c1cccc(S(=O)(=O)/N=C(\O)c2sc(C)nc2C)c1 45098335 XMAUXEPKFVXVHF-UHFFFAOYSA-N 338.410 2.656 30 40 EFEB COc1ccccc1[C@H](NC(=O)c1ccc(C#N)cc1)c1nccn1C 18237751 SLWGGTQZUWVTFG-SFHVURJKSA-N 346.390 2.820 30 40 EFEB O=[N+]([O-])c1cc2c(cc1/C=N\NC(=S)Nc1ccccc1)OCO2 17071809 YIEORBKFLINUGI-PXNMLYILSA-N 344.352 2.644 30 40 EFEB COC(=O)[C@H](C)c1c(C)nn(Cc2ccc(OC)c(C#N)c2)c1C 95442489 OLDPQNRDEKTZAW-LLVKDONJSA-N 327.384 2.705 30 40 EFEB N#Cc1ccc(-c2cccc(CNc3ccc4nnnn4n3)c2)s1 71916171 SDVHTKGHDNVTLV-UHFFFAOYSA-N 333.380 2.732 30 40 EFEB C[C@@]1(C(=O)Nc2ccc(C#N)c(C#N)c2)Cc2ccccc2C(=O)O1 72292743 RIFLLDMSWLGCAI-IBGZPJMESA-N 331.331 2.540 30 40 EFEB N#Cc1ccccc1COc1cccc(C(=O)NCc2ncc[nH]2)c1 72284796 OVGLEAVTKQVXRL-UHFFFAOYSA-N 332.363 2.790 30 40 EFEB N#CC1(c2ccccc2)CCN(C(=O)[C@H]2CCc3[nH]cnc3C2)CC1 225514046 ZVHKBJPXUWANIO-HNNXBMFYSA-N 334.423 2.599 30 40 EFEB Cc1csc([C@@H]2CN(CCOc3ccccc3C#N)CCO2)n1 65466807 DSBFBPXFFSKSBP-INIZCTEOSA-N 329.425 2.776 30 40 EFEB C=CCN(C(=O)c1cccc(N2C(=O)CCC2=O)c1)C1CCCC1 55801294 XCCZOEITUGYMAT-UHFFFAOYSA-N 326.396 2.911 30 40 EFEB O=C1C=CC(=NOS(=O)(=O)c2cc(Cl)ccc2Cl)C=C1 3339743 NJGLCKXKWGMBDE-UHFFFAOYSA-N 332.164 2.750 30 40 EFEB CC1(C)CC(=O)C2=C(C1)Nc1nonc1N[C@@H]2c1ccc(O)cc1 12391388 HSWLGJIEIWMSCU-CQSZACIVSA-N 326.356 2.997 30 40 EFEB CC(C)N(C(=O)CO/N=C(\N)Cc1ccccc1)c1ccccc1 40149474 BBRRSZLMGLDLGQ-UHFFFAOYSA-N 325.412 2.960 30 40 EFEB CCC/N=C1/NC(=O)[C@H](CC(=O)Nc2ccc(F)c(Cl)c2)S1 21133263 YVDUTEYUUXDPBU-NSHDSACASA-N 343.811 2.805 30 40 EFEB N#CC[C@@H](NC(=O)OCc1ccccc1)C(=O)OCc1ccccc1 6575097 RGPNTUFXRPJOBA-QGZVFWFLSA-N 338.363 2.938 30 40 EFEB N#Cc1cccc(S(=O)(=O)N[C@@H]2CCC[C@H](C(F)(F)F)C2)c1 25375730 DIWBQBFEOZDARE-NWDGAFQWSA-N 332.347 2.958 30 40 EFEB C[C@@H]1COCCN1CC(=O)Nc1sc2c(c1C#N)CCCCC2 26451070 QSJBHLLEGYZVMJ-GFCCVEGCSA-N 333.457 2.548 30 40 EFEB C=CCN1C(=O)/C(=C/c2cccc(O[C@@H](C)C(=O)O)c2)SC1=S 58464473 TTYKAUCUQTWJAM-AVMBBCFPSA-N 349.433 2.926 30 40 EFEB C[C@@H](NC(=O)CO/N=C(\N)c1ccc(Cl)cc1)[C@H]1C[C@H]2CC[C@H]1C2 110509296 DSFBXIGIVQAVKA-TWJWRFFLSA-N 349.862 2.918 30 40 EFEB N#C[C@]1(NC(=O)Cc2ccc(Br)s2)CCSC1 72284762 NBOZUJLNNBXZAA-LLVKDONJSA-N 331.260 2.569 30 40 EFEB N#Cc1cccc(CS(=O)(=O)N[C@H]2CCCOc3ccccc32)c1 71888402 JQNVCCFKWMQTDL-KRWDZBQOSA-N 342.420 2.892 30 40 EFEB Cc1ccc(S(=O)(=O)[C@H]2[C@@H](c3ccccc3)[C@@]2(C#N)C(=O)O)cc1 218044375 OOXUYCOASAGSJW-SOLBZPMBSA-N 341.388 2.529 30 40 EFEB C=CCN1CC[C@H](Sc2nccn2Cc2ccc(OC)cc2)C1=O 225572419 GOJVNFBOUJVTMW-INIZCTEOSA-N 343.452 2.819 30 40 EFEB COc1cc(CN2CC[C@H](NCc3ccc(C#N)o3)C2)cc(OC)c1 88755854 ZMICJZBYBIAAKI-HNNXBMFYSA-N 341.411 2.533 30 40 EFEB C[C@H](CCNC(=O)NCc1cc(C#N)ccc1F)N1CCCCC1 97372867 REQTWHWDLFQCJX-CQSZACIVSA-N 332.423 2.761 30 40 EFEB CC[C@@H]1CCCCN1CC(=O)Nc1c(C#N)cnn1-c1ccccc1 67715287 TUGADVFVTYISLZ-MRXNPFEDSA-N 337.427 2.947 30 40 EFEB N#Cc1cc(Br)ccc1NCCn1cc([N+](=O)[O-])cn1 97083949 CMXGAABHTKBTPM-UHFFFAOYSA-N 336.149 2.538 30 40 EFEB Cn1cc(/C=N\N2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@H]5C[C@H]45)[C@H]3C2=O)c2ccccc21 100237618 UPHRIRMXYZVLDE-TZFLSAMDSA-N 345.402 2.565 30 40 EFEB N#Cc1cc(Br)cnc1N1CC(N2C[C@H]3CCC[C@H]3C2)C1 1889070532 HNYJLGMBIJJAHU-TXEJJXNPSA-N 347.260 2.636 30 40 EFEB COC[C@H](C)NC(=O)[C@@H](C#N)C(=O)c1ccc(-c2ccccc2)cc1 103502972 CDUVJFJKSXSVKJ-KSSFIOAISA-N 336.391 2.827 30 40 EFEB N#Cc1nc2n(c1C#N)CN(CCc1ccc(Cl)cc1Cl)CN2 23425616 JCDHADVDDBADAH-UHFFFAOYSA-N 347.209 2.818 30 40 EFEB C#CCOC(=O)CCCCCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 4247094 KBEOIFILQGDNIR-UHFFFAOYSA-N 335.316 2.652 30 40 EFEB N#Cc1ccc(NC(=O)[C@@H]2CSCN2C(=O)c2ccsc2)cc1 65503244 VPQVXDMXOYPGAW-AWEZNQCLSA-N 343.433 2.774 30 40 EFEB Cc1ccc(C(=O)C2=C(O)C(=O)N(CCO)[C@@H]2c2cccs2)cc1 16751715 FIUHEVKFLUKFQZ-OAHLLOKOSA-N 343.404 2.627 30 40 EFEB CCC(=O)N1CSC[C@H]1C(=O)Nc1sc2c(c1C#N)CCCC2 69584502 NJZWZLBSCWTKGR-LBPRGKRZSA-N 349.481 2.749 30 40 EFEB C[C@H](CSc1ccc(F)cc1)C(=O)Nc1nc(C#N)c(C#N)[nH]1 89904127 XYWLQBGNYGVIPL-SECBINFHSA-N 329.360 2.659 30 40 EFEB N#CCc1ccc(OCCNC(=O)N2C[C@H]3CC=CC[C@H]3C2)cc1 76088417 FPNZGYCRPNBICL-CALCHBBNSA-N 325.412 2.739 30 40 EFEB CC[C@H]1CN([C@H](CC)C(O)=Nc2ccc(-n3ccnc3)nc2)CCO1 330031568 AIOKHNUPCUGNDN-JKSUJKDBSA-N 343.431 2.745 30 40 EFEB N#Cc1cccc(CNC[C@@H]2Cn3nnc(-c4ccccc4)c3CO2)c1 96199278 VPYYNJWICUOVNS-GOSISDBHSA-N 345.406 2.505 30 40 EFEB Cc1cccc(N2CC[C@]3(C[C@H](Nc4cccc(C#N)n4)CO3)C2)n1 96072688 JOTUSTRPUHYGJF-LPHOPBHVSA-N 335.411 2.507 30 40 EFEB N#Cc1nn(-c2cccc([N+](=O)[O-])c2)nc1N1CCc2ccccc2C1 256048194 RHASHAGVUNTHJM-UHFFFAOYSA-N 346.350 2.610 30 40 EFEB Cc1ccc(C(C)(C)C)cc1Sc1c(C#N)c(=O)n(C)c(=O)n1C 40024800 OHRFLAQEOKFVCX-UHFFFAOYSA-N 343.452 2.713 30 40 EFEB Cc1nn(C)cc1[C@H](C)NC(=O)C(F)(F)C(F)(F)C(F)(F)F 2781449 PLMHNBMAVHENGU-YFKPBYRVSA-N 335.223 2.739 30 40 EFEB N#Cc1ccccc1N1CCCN(C(=O)c2ccc3[nH]cnc3c2)CC1 47138610 TVJVUHGXNAFIKJ-UHFFFAOYSA-N 345.406 2.787 30 40 EFEB C[C@H](Oc1ccc(C#N)cc1)C(=O)Nc1ccccc1Cn1cncn1 55968880 URJKVQRKVUGIKK-AWEZNQCLSA-N 347.378 2.604 30 40 EFEB C[C@H]1CN(C(=O)CNc2ccc(C#N)cc2)C[C@H](c2ccccc2)O1 58406473 UIZGDZAKAVBRHD-HNAYVOBHSA-N 335.407 2.959 30 40 EFEB C[C@@]1(C(F)(F)F)C[C@](O)(C(F)(F)F)C[C@](O)(C(F)(F)F)O1 100045353 ZHZPKMZKYBQGKG-KVQBGUIXSA-N 336.150 2.662 30 40 EFEB C=CCN(C)C[C@H]1CN2CC[C@H]1C[C@@H]2CNC(=O)Nc1ccccc1 67870644 LZUAOQHRURASGI-JENIJYKNSA-N 342.487 2.636 30 40 EFEB biogenic,in-vitro C=CCNc1nnc(SCc2nc3ccsc3c(=O)[nH]2)s1 9513965 AWVUNHNGIYDFGT-UHFFFAOYSA-N 337.455 2.726 30 40 EFEB C[C@@H]1C(c2ccc(F)cc2)=[N+]([O-])[C@@](C)(C(=O)c2ccccc2)N1O 3904788 FYCWPWVYFWSEQI-XIKOKIGWSA-N 328.343 2.818 30 40 EFEB Cc1oc(-n2cccc2)c(C#N)c1C(=O)N1C[C@H](C)OC(C)(C)C1 65610698 WNQLROULTZDRFV-LBPRGKRZSA-N 327.384 2.890 30 40 EFEB CN(C(=O)c1ccc(Br)cc1[N+](=O)[O-])C1(C#N)CCC1 96500834 PQWFFHWGEDGADC-UHFFFAOYSA-N 338.161 2.876 30 40 EFEB Cc1nccn1[C@H]1CCCN([C@@H](C)C(=O)NC2(C#N)CCCCC2)C1 69848779 YCVMLBDAGKAGSZ-RDJZCZTQSA-N 343.475 2.560 30 40 EFEB C#CCOc1ccc(NC(=O)N2CCCC[C@H]2c2nc[nH]n2)cc1 97079891 NLCINVAOTIAJFV-HNNXBMFYSA-N 325.372 2.576 30 40 EFEB CN(Cc1ccc(C#N)o1)[C@H](C(N)=O)c1cccc(Br)c1 97162296 JBKGUYACASIGNO-AWEZNQCLSA-N 348.200 2.572 30 40 EFEB N#Cc1cc(N2CC[C@@H](OCCN3CCCCC3)C2)ccc1[N+](=O)[O-] 97145228 UPYKLWRHDMEQDC-QGZVFWFLSA-N 344.415 2.548 30 40 EFEB CCCOc1ccc(/C=C2/NC(C)=C(C(=O)OC)C2=O)cc1OCC 408975775 NBIXUJAUQKFPRJ-GXDHUFHOSA-N 345.395 2.834 30 40 EFEB O=C(NC[C@H]1CCC[C@H]1O)Nc1cccc(C#Cc2ccccn2)c1 96434835 OJOCFUYGCZBMLB-VQIMIIECSA-N 335.407 2.764 30 40 EFEB N#Cc1cccc(CN2CCC3(CC2)CC(N2CCOCC2)C3)c1 96159231 CFFXGZSNXZUARO-UHFFFAOYSA-N 325.456 2.635 30 40 EFEB C#CCOc1cccc(CN2C[C@@H]3ON=C(c4ccccc4)[C@H]3C2)c1 253372972 HHJVXEWJJOUXLB-PMACEKPBSA-N 332.403 2.934 30 40 EFEB CCc1noc(C)c1CN1CCN(c2oc(C3CC3)nc2C#N)CC1 610710136 ACLAQHBOCQNLIT-UHFFFAOYSA-N 341.415 2.605 30 40 EFEB Cc1noc([C@H]2CN(C(=O)c3cc(C#N)ccc3Cl)C[C@@H](C)O2)n1 600382913 BYTZNNHWQIOVSZ-YMTOWFKASA-N 346.774 2.505 30 40 EFEB N#Cc1cc(Br)cnc1N1CC(N2C[C@@H]3CCC[C@H]3C2)C1 1889070531 HNYJLGMBIJJAHU-RYUDHWBXSA-N 347.260 2.636 30 40 EFEB O=C(O)/C(O)=C/C(=O)c1cc(Br)ccc1Br 106679563 KJCGJIMPSMHLEI-WTKPLQERSA-N 349.962 2.921 30 40 EFEB COc1ccc(C(=O)c2c(N)c(C#N)c3n2CCCCC3)cc1OC 12371216 XXNNCWNLZSLSPA-UHFFFAOYSA-N 339.395 2.917 30 40 EFEB C=CCN(c1ccccc1)S(=O)(=O)c1ccc2c(c1)CCC(=O)N2 423379 UFYFUBIMFBHYTR-UHFFFAOYSA-N 342.420 2.953 30 40 EFEB Cc1ccc(C)c2nc(SCC(=O)N3CCOCC3)c(C#N)cc12 421599 GXQVZWOUHRESBJ-UHFFFAOYSA-N 341.436 2.674 30 40 EFEB C[C@H](NC(=O)N1CCCN(c2ccc(C#N)cc2)CC1)c1cccnc1 43787399 CXHGCBGUILNZGF-INIZCTEOSA-N 349.438 2.936 30 40 EFEB COC(=O)[C@@H](c1cccc(C#N)c1)N1CC[C@H](Nc2ccccc2)C1 83170309 URIUCAPNMMXLIS-RBUKOAKNSA-N 335.407 2.959 30 40 EFEB C=CCNC(=O)[C@@H](C)N1CCC(C(=O)c2ccc(Cl)cc2)CC1 69385337 RSUGTNMXAKNRGH-CYBMUJFWSA-N 334.847 2.925 30 40 EFEB Cc1nc(C)n(C[C@@H]2CCCN2Cc2cn3ccccc3c2C#N)n1 69464497 PATXFFSQQXKION-KRWDZBQOSA-N 334.427 2.684 30 40 EFEB C=C(C)CN1CCC(NC(=O)Nc2ccc3c(c2)CCC(=O)N3)CC1 71880033 RIBHGUOXVRSZSL-UHFFFAOYSA-N 342.443 2.733 30 40 EFEB Cc1nc(C)n(C[C@H]2CCCCN2CCOc2ccccc2C#N)n1 69875151 LASDBFAUGHDJKU-GOSISDBHSA-N 339.443 2.700 30 40 EFEB C=CCSCc1nc(-c2cccc(CN3CCOCC3)c2)no1 69922507 RSZVFPCDXXRKQW-UHFFFAOYSA-N 331.441 2.988 30 40 EFEB CCCCCCCNC(=O)COCC(=O)Nc1ccc(OC)cc1 98045180 XWBGOMZRAWJBNK-UHFFFAOYSA-N 336.432 2.737 30 40 EFEB N/C(=N/Cc1c(F)cccc1F)N1CCN(c2ccc(F)cc2)CC1 95966463 RHFGXIZUGKJFKX-UHFFFAOYSA-N 348.372 2.741 30 40 EFEB CCn1c(-c2cccc(Cl)c2)nnc1S(=O)(=O)CCCC#N 125067965 WDLYFZYCSQYWKG-UHFFFAOYSA-N 338.820 2.696 30 40 EFEB CCOc1ccc(C(=O)NCC#CCOc2ccccc2OC)cc1 90610357 QFGDMOLZGPPABJ-UHFFFAOYSA-N 339.391 2.906 30 40 EFEB Cc1c(C#N)c(NS(=O)(=O)c2cnn(C(C)C)c2)n2ccccc12 585141624 WDUVHGUHKGYHPY-UHFFFAOYSA-N 343.412 2.698 30 40 EFEB O=C1N/C(=N/c2ccc(C(=O)O)cc2)S/C1=C\c1ccncc1 16904475 OALZRQKMSHQRND-LCYFTJDESA-N 325.349 2.671 30 40 EFEB CC(C)[C@](C)(C#N)NC(=O)Cn1cc(C(F)(F)F)cc(Cl)c1=O 6549420 RJOOWOPOWQSBRE-ZDUSSCGKSA-N 349.740 2.575 30 40 EFEB Cc1cc(N2C[C@H]3CN(c4ncccc4C#N)C[C@@H]3C2)nc(C2CC2)n1 2086954081 KDDXHXJYVGXVBI-IRXDYDNUSA-N 346.438 2.502 30 40 EFEB Cc1ccoc1C(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1 29956501 XRHXUVKZFAKRCP-MRXNPFEDSA-N 327.359 2.750 30 40 EFEB CC(C)CN(C[C@@H](O)c1ccc(F)cc1)C(=O)c1cc(C#N)cn1C 95414986 SYYQCLXIBXCFBQ-GOSISDBHSA-N 343.402 2.868 30 40 EFEB C=CCn1c([C@H](C)NC(=O)Cc2ccc(OC)cc2)n[nH]c1=S 4777261 FVJVUTNPNLSHHY-NSHDSACASA-N 332.429 2.555 30 40 EFEB CCOC(=O)c1cc(C#N)c(SCC(=O)N2CCCCC2)nc1C 7150051 PTWZYRQYUANJDE-UHFFFAOYSA-N 347.440 2.543 30 40 EFEB Cc1ccc(C(=O)NCC(=O)N[C@H](C#N)c2ccc(Cl)cc2)s1 69419429 JCHUJPYPXPGVCD-CYBMUJFWSA-N 347.827 2.821 30 40 EFEB C=C(Br)Cn1nc(-c2cccc([N+](=O)[O-])c2)ccc1=O 69595869 XLSHPEJBQXQDAN-UHFFFAOYSA-N 336.145 2.727 30 40 EFEB COc1cc(/C=N/c2cccc(C(=O)O)c2)ccc1O[C@H](C)C(=O)O 409010522 KUNDXZTTXYAIOR-VURRPDKYSA-N 343.335 2.996 30 40 EFEB CCNC(=S)N/N=C/c1cc(C)n(-c2cccc([N+](=O)[O-])c2)c1C 33779292 AFQZLUQFVHZZCN-VCHYOVAHSA-N 345.428 2.820 30 40 EFEB Clc1ccc(C#CCSc2nnc(Cn3cncn3)o2)cc1 96461137 OBBMPYWXBHXPQO-UHFFFAOYSA-N 331.788 2.507 30 40 EFEB C#CCCCNC(=O)N1CCC[C@@H]2CN(C(=O)OC(C)(C)C)CC[C@H]21 1616034791 NSXICKNZTCUWRJ-HZPDHXFCSA-N 349.475 2.831 30 40 EFEB CCN1CC[C@@]2(CN(Cc3ccccc3C#N)CC(F)(F)C2)C1=O 585093382 SSLZEKDDGPOKFP-QGZVFWFLSA-N 333.382 2.638 30 40 EFEB CN/C(=N\Cc1cccc(N2CCCCC2=O)c1)NCc1ccco1 72270959 FNVMZBGBSSTVDX-UHFFFAOYSA-N 340.427 2.662 30 40 EFEB CCCOC1(NS(=O)(=O)c2ccc(C)cc2)C(C)=CC(=O)C=C1C 16807596 AIBGGEVPJSGWEF-UHFFFAOYSA-N 349.452 2.872 30 40 EFEB CC(C)OC(=O)c1ccc(NCC2=CC(=O)C=CC2=O)cc1Cl 1650849 CHRRHHZGQZFPKS-UHFFFAOYSA-N 333.771 2.952 30 40 EFEB O=C1Nc2c(cc(Cl)cc2[N+](=O)[O-])N/C1=C\C(=O)c1cccnc1 104238021 BBXUIVWFZIORHS-WDZFZDKYSA-N 344.714 2.774 30 40 EFEB CC(=O)/C(=C\n1ccc(=O)[nH]c1=S)C(=O)Nc1ccc(Cl)cc1 8665305 JZJLNVHBMKQUJM-XYOKQWHBSA-N 349.799 2.628 30 40 EFEB CCOC(=O)/C(=N/Nc1cc(Cl)ccc1Cl)N1CCOCC1 3176513 VRVJVVVFPNWCGT-AQTBWJFISA-N 346.214 2.614 30 40 EFEB C[C@@H](NC(=O)N1CCN(c2cc(C#N)ccn2)CC1)c1cccs1 26243005 CQGAKWCJZYGWPH-CYBMUJFWSA-N 341.440 2.608 30 40 EFEB C=CCN(Cc1cccs1)C(=O)CN1CCC(c2cc[nH]n2)CC1 58232080 ALNZURLRBJLTGX-UHFFFAOYSA-N 344.484 2.865 30 40 EFEB Cc1ccc(OCCN2C(=O)N[C@@](C)(c3ccc(C#N)cc3)C2=O)cc1 12752742 DREICEQFHDPCHT-FQEVSTJZSA-N 349.390 2.713 30 40 EFEB C#Cc1cccc(NC(=O)CNC(=O)c2sc(CCC)nc2C)c1 48368275 FXBUOWGOOVHDRU-UHFFFAOYSA-N 341.436 2.754 30 40 EFEB CC(=O)N(C)C1=C(N2CCCCCC2)C(=O)c2ccccc2C1=O 4381026 HDXKFSSHTXIUAF-UHFFFAOYSA-N 326.396 2.632 30 40 EFEB Cc1ccc(C)c(-n2nnn(CN(CCC#N)CCC#N)c2=S)c1 14229575 RIWLRCQFYJETLH-UHFFFAOYSA-N 341.444 2.502 30 40 EFEB C=CCNC(=O)c1nc(C(=O)N(C)Cc2cccc(Cl)c2)cs1 69324498 SLXXGNLFEOZWAT-UHFFFAOYSA-N 349.843 2.985 30 40 EFEB Cc1cnc(CN(Cc2ccc(C#N)cc2F)[C@H]2CCN(C)C2)o1 84259306 CVNDUBLADQMXLW-INIZCTEOSA-N 328.391 2.700 30 40 EFEB N#Cc1ccc(F)c(CS(=O)(=O)N2CCc3ccc(F)cc3C2)c1 95980862 DODUZQKTXXTUCM-UHFFFAOYSA-N 348.374 2.725 30 40 EFEB CCOc1cc2c(cc1CNC(=O)N(C)C[C@@H](C)C#N)O[C@H](C)C2 89991035 KKAXMSCLYQVPKZ-QWHCGFSZSA-N 331.416 2.710 30 40 EFEB Cn1ncnc1CCNC(=O)Nc1ccccc1C#Cc1ccccc1 88392356 BSDSPHJVWJLTDL-UHFFFAOYSA-N 345.406 2.579 30 40 EFEB C[C@@H](c1cccc(C#N)c1)N1CCN(CCO[C@@H]2CCCCO2)CC1 225531801 PGVPDUWMMAECOX-FXAWDEMLSA-N 343.471 2.780 30 40 EFEB N#Cc1cccc(N[C@@H]2CO[C@]3(CCN(Cc4ccsc4)C3)C2)n1 96047661 USPBKFNLMRPHCN-FUHWJXTLSA-N 340.452 2.860 30 40 EFEB C#CCOc1ccc(NC(=O)N2CC[C@@H](Cc3cnn(C)c3)C2)cc1 96445971 WWENYDXKSZLUNF-HNNXBMFYSA-N 338.411 2.529 30 40 EFEB N#Cc1cccc(C(=O)NC2CCN(c3cc(C4CC4)[nH]n3)CC2)c1 238930298 VACSZSHFMWQVTH-UHFFFAOYSA-N 335.411 2.558 30 40 EFEB CC(=O)C1=C(NCCc2nc3ccccc3[nH]2)CC(C)(C)CC1=O 100168942 GCPKIAZRNVZMKJ-UHFFFAOYSA-N 325.412 2.927 30 40 EFEB CN1CCC(=NNC(=S)Nc2ccc(Br)cc2)CC1 55048504 XILGJPXITWQXDG-UHFFFAOYSA-N 341.278 2.817 30 40 EFEB C[C@@]1(c2cccc(C#N)c2)NC(=O)N(Cc2cccc(F)c2F)C1=O 58202505 KKGMFZSUPHUTBD-SFHVURJKSA-N 341.317 2.804 30 40 EFEB CC(C)(C(=O)NCc1ccc(C#N)cc1)n1cc(Br)cn1 58392900 SFJLTJSFPQCZAL-UHFFFAOYSA-N 347.216 2.569 30 40 EFEB N#Cc1ccc(C(=O)N2CCC[C@H](c3nnc4n3CCCCC4)C2)cc1 11546944 AUDBKZISWBJHCO-KRWDZBQOSA-N 349.438 2.896 30 40 EFEB COc1cccc(/C=C2\CS(=O)(=O)c3ccc(F)cc3C2=O)c1 8993971 QOLNPENDSJUDOG-KPKJPENVSA-N 332.352 2.888 30 40 EFEB N#Cc1cccc(CN2CCN(C(=O)c3cc4ccccc4[nH]3)CC2)c1 69348863 FTVZZASENFFAIH-UHFFFAOYSA-N 344.418 2.998 30 40 EFEB N#Cc1nccnc1NCC1CCN(Cc2ccccc2F)CC1 69742270 XJPDWXQDEZBDJO-UHFFFAOYSA-N 325.391 2.811 30 40 EFEB COc1ccc([C@H](C#N)NC(=O)CO[C@H]2CCC[C@@H](C)C2)c(OC)c1 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EFEB COCCCN/C(=N/[C@@H](C)c1cccs1)NC[C@@H]1CCCO1 75583289 YEQCYIFEBBUQKB-KBPBESRZSA-N 325.478 2.560 30 40 EFEB Cc1ccc([C@H]2[C@H](S(=O)(=O)c3ccc(C)cc3)[C@]2(C#N)C=O)cc1 218445193 PXQUULOJWGSJQP-GBESFXJTSA-N 339.416 2.952 30 40 EFEB Cc1noc([C@H]2CN(Cc3ccc(F)c(C#N)c3Cl)CCN2C)n1 583617377 CXAJHDBFEADDPB-CQSZACIVSA-N 349.797 2.531 30 40 EFEB C=CCN(CC=C)S(=O)(=O)c1ccc(NC(C)=O)c(Cl)c1 96449212 LWRFNWNURIDCTM-UHFFFAOYSA-N 328.821 2.661 30 40 EFEB C=CCN(Cc1cccc(C#N)c1)C(=O)Nc1cnc(N(C)C)nc1 95434555 YPROVZJCXFOBIS-UHFFFAOYSA-N 336.399 2.634 30 40 EFEB CC(C)CN1CCC(NC(=O)NCc2cc(C#N)ccc2F)CC1 96439166 YYZVOOFJAAFBCI-UHFFFAOYSA-N 332.423 2.617 30 40 EFEB C=CCOC[C@@H]1CC[C@@H]2[C@H]1OCCN2C(=O)c1cc(F)cc(F)c1 253374148 LHUUFXIRUAJUIQ-VUCTXSBTSA-N 337.366 2.787 30 40 EFEB CCOC(=O)c1sc(N/N=C/c2ccc(O)c(OC)c2)nc1C 4159006 VZZHFEFHMHCYCG-LZYBPNLTSA-N 335.385 2.788 30 40 EFEB CC(C)[C@](C)(C#N)NC(=O)CN1CCC[C@@H]1C[C@H](O)c1ccccc1 76108326 ONXQAFOXRPXIEX-HBFSDRIKSA-N 343.471 2.629 30 40 EFEB Cc1cc(C)c(OC/C(O)=N/S(=O)(=O)c2cccnc2)c(C)c1 42321989 GKCIAYAQEMXQDA-UHFFFAOYSA-N 334.397 2.731 30 40 EFEB CCOc1ccc(CN2CCN(C(=O)c3ccc(C#N)cc3)CC2)cc1 24573475 ILUYAZXJUNJUAQ-UHFFFAOYSA-N 349.434 2.915 30 40 EFEB O=C(CO/N=C/c1ccccc1[N+](=O)[O-])N1CCc2sccc2C1 22317039 XWKPYNQJQOSKJY-RQZCQDPDSA-N 345.380 2.592 30 40 EFEB C=CCN1C(=O)NC(=O)/C(=C/c2ccccc2O[C@H](C)CC)C1=O 408602437 NSEHPEZBGBMPOT-POKNLVKOSA-N 328.368 2.512 30 40 EFEB CCCCN1C(=O)C(C#N)=NN(c2ccc(Cl)cc2)[C@@H]1OCC 3772044 RTUUAUSAOYYJIK-MRXNPFEDSA-N 334.807 2.988 30 40 EFEB CC(=O)C1=C(O)C(=O)N(c2ccc(C(=O)O)cc2)[C@@H]1c1ccccc1 4037891 HBDFAJNGAOMTDN-MRXNPFEDSA-N 337.331 2.874 30 40 EFEB C[C@@H](Nc1ncnc2c1cnn2CCC#N)c1ccc2c(c1)OCO2 65520157 RGXSOJSCWNFZSB-LLVKDONJSA-N 336.355 2.642 30 40 EFEB C=CCN1C(=O)N/C(=C/c2cc(Cl)c(OCC)c(OC)c2)C1=O 409124972 CTVRIVHUTQDDTE-XYOKQWHBSA-N 336.775 2.826 30 40 EFEB CC(C)[C@](C)(C#N)NC(=O)[C@H](C)OC(=O)c1ccc2ccccc2n1 5848313 PZLAGFUPGRDBPE-DJJJIMSYSA-N 339.395 2.835 30 40 EFEB C[C@@H](NC(=O)N1CC[C@H](Oc2cccnc2)C1)c1cccc(C#N)c1 96474874 BDIHTJJQEQYFBE-KDOFPFPSSA-N 336.395 2.877 30 40 EFEB C[C@H](CN1CCN(C)CC1)Nc1ccc(C(F)(F)F)c(C#N)c1 95944310 XIJVVGSDRVCKOV-GFCCVEGCSA-N 326.366 2.625 30 40 EFEB N#Cc1cccnc1N1CCC(CNC(=O)NCc2ccccc2)CC1 70929479 XHDIOVOITLRWJZ-UHFFFAOYSA-N 349.438 2.669 30 40 EFEB Cn1cc(N2CCN(c3cc(C#N)ccc3C(F)(F)F)CC2)cn1 126124639 JLFBAVOHGSJCLH-UHFFFAOYSA-N 335.333 2.637 30 40 EFEB Cc1ccc(S(=O)(=O)N/N=C/C2=CC3[C@H]4C=CC2C=C[C@H]34)cc1 71785574 LRDQQJDNKXYMRI-RBEIQIOOSA-N 326.421 2.804 30 40 EFEB N#Cc1ccc(N2C[C@H]3CC[C@H]2[C@H]2CN(Cc4ccccc4)C[C@@H]32)nn1 585091414 GUBCTNWGBQOOHA-GTAWCEEGSA-N 345.450 2.695 30 40 EFEB N#Cc1ncn(Cc2ccc(C(=O)Nc3ccccc3)cc2)c1C#N 97379812 KHZSNWYUKYDPOY-UHFFFAOYSA-N 327.347 2.927 30 40 EFEB N#Cc1ccc(N2CCN(c3ccc(F)cc3)CC2)c([N+](=O)[O-])c1 16428127 WGSCLYIATSVRLU-UHFFFAOYSA-N 326.331 2.932 30 40 EFEB Cc1cc(/C=N/NC(=S)NC[C@@H]2CCCO2)c(C)n1CC(C)C 6685381 DHZRLYHAPLUCKF-ARFNDINWSA-N 336.505 2.738 30 40 EFEB C=CCNc1nnc(SCCN2C(=O)c3ccccc3C2=O)s1 5784982 VYGRSAISCOMKKS-UHFFFAOYSA-N 346.437 2.524 30 40 EFEB CN(c1ncc(Cl)cn1)C1CCN(c2cccnc2C#N)CC1 1889090932 KVBIBCJPJCPMMA-UHFFFAOYSA-N 328.807 2.502 30 40 EFEB O=C(/C=C1/NC[C@@H]2c3ccccc3CCN2C1=O)c1ccc(F)cc1 36305 LDVIXHLTHSTDLQ-ZKTNYTPDSA-N 336.366 2.622 30 40 EFEB N#Cc1ccc(C(=O)Nc2ccc(NC(=O)[C@H]3CCCO3)cc2)cc1 30175724 ONTVBFHQHXXYMA-QGZVFWFLSA-N 335.363 2.928 30 40 EFEB CC(C)C(=O)N1CCN(c2nc(C(C)C)c3c(c2C#N)CCC3)CC1 20546406 IXJOLBSFDWSBJH-UHFFFAOYSA-N 340.471 2.870 30 40 EFEB C=CCOCC(=O)N1CC[C@@H](CNC(=O)COc2ccc(C)cc2)C1 97371280 BNFJYUQYVNXBTO-IBGZPJMESA-N 346.427 1.541 30 40 EFEB C=CCn1c(C)nnc1S[C@H](C(=O)NCc1cccnc1)C(C)C 58401800 QOWNJIMYWKZXKK-HNNXBMFYSA-N 345.472 2.601 30 40 EFEB Cn1c(SCC(=O)Nc2cc(Cl)ccc2C#N)nnc1C1CC1 7235512 OUSKFQARTIGREC-UHFFFAOYSA-N 347.831 2.948 30 40 EFEB CC(C)[C@H]1CCCC[C@@H]1NC(=O)C(=O)Nc1ccc(F)c(C#N)c1 71799755 RZMIDIPCEHKVFU-ZBFHGGJFSA-N 331.391 2.967 30 40 EFEB N#CCCN(C1CCOCC1)S(=O)(=O)c1ccc2ccccc2c1 69947095 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339.440 2.587 30 40 EFEB Cc1sc2ncn(/N=C/c3cccc([N+](=O)[O-])c3)c(=O)c2c1C 1465583 CDABSZZIBZBPCE-REZTVBANSA-N 328.353 2.865 30 40 EFEB CCc1cnc(OC2CCN(C(=O)c3ccc(C#N)cc3)CC2)nc1 1775970630 INOPIBVLIPDZTA-UHFFFAOYSA-N 336.395 2.594 30 40 EFEB Cc1cccc(N/C=c2\c(C)c(C#N)c3nc4ccccc4n3c2=O)c1 18209874 IFQPXHCNAAIKPM-SFQUDFHCSA-N 340.386 2.905 30 40 EFEB CCCCc1nc(CN2CCN(c3cccc(F)c3C#N)CC2)no1 53608564 SODCEJKLUBOKHK-UHFFFAOYSA-N 343.406 2.745 30 40 EFEB CCn1nc(C(=O)Nc2ccc(OCC#N)cc2)c2ccccc2c1=O 23149742 XGEPTTUCUAJEEG-UHFFFAOYSA-N 348.362 2.571 30 40 EFEB C=CCSc1nc2c(c(=O)[nH]1)[C@@H](c1ccc(C)cc1)CC(=O)N2 4944179 RFVCJLBCTOBNPC-GFCCVEGCSA-N 327.409 2.831 30 40 EFEB CCN(CC(=O)NCc1ccc(F)cc1)Cc1cc(C#N)ccc1F 11184564 DTJMPWHPLIWWQY-UHFFFAOYSA-N 343.377 2.975 30 40 EFEB CC[C@@H](C#N)NC(=O)c1cc(C)n(-c2ccc3c(c2)OCCO3)c1C 60342089 OZDLBLJFYGRHDX-AWEZNQCLSA-N 339.395 2.897 30 40 EFEB CCC[C@@H]1CCc2c(sc(NC(=O)COCC(=O)O)c2C#N)C1 17070718 SBFJCXFMIIDCAW-SNVBAGLBSA-N 336.413 2.564 30 40 EFEB N#Cc1cccc(NC(=O)[C@@H]2CCCN(C(=O)NC3CCCC3)C2)c1 72306847 YLDHMQPAXTVJKC-OAHLLOKOSA-N 340.427 2.861 30 40 EFEB CCn1c(CCC(N)=O)nnc1SCC#Cc1ccc(Cl)cc1 85250091 BAFCUJZHYPTPCB-UHFFFAOYSA-N 348.859 2.513 30 40 EFEB CN(CCCOc1ccccc1)S(=O)(=O)c1ccc(C#N)cc1 30358348 OFYKDUGPDYSEOO-UHFFFAOYSA-N 330.409 2.648 30 40 EFEB Cn1cccc1[C@@H]1CCCN1C(=O)NCCOc1ccc(C#N)cc1 74736602 SMQNJFWBFOEOLW-SFHVURJKSA-N 338.411 2.822 30 40 EFEB C[C@@H](NCc1ccc(CS(C)(=O)=O)cc1)c1cccc(C#N)c1 97034440 JSXDUSHWSIVONE-CQSZACIVSA-N 328.437 2.954 30 40 EFEB C[C@@H]1C[C@@](O)(C#CC(C)(C)OC(=O)c2ccccc2)[C@H](C)CN1C 4690289 VUEVYIBTFKAOPT-QINHECLXSA-N 329.440 2.717 30 40 EFEB C[C@@H](N)CN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@H]1c1ccccc1 20314906 GWZPLKZYTXNBKM-CXAGYDPISA-N 336.391 2.612 30 40 EFEB COC(=O)c1ccc(/C=N/OCC(=O)N(C)C2CCCCC2)cc1 3341205 PCIRYRNNARRULX-XDHOZWIPSA-N 332.400 2.615 30 40 EFEB COc1ccc(/N=C2\C(=O)Nc3ccc([N+](=O)[O-])cc32)c([N+](=O)[O-])c1 4188187 VOWGYDYTNATOHX-UHFFFAOYSA-N 342.267 2.585 30 40 EFEB CC(C)C(=O)N1CCN(c2ccc(C#N)c(C(F)(F)F)c2)CC1 65512883 WRVGZJTZXXDZGP-UHFFFAOYSA-N 325.334 2.882 30 40 EFEB CCCCCS(=O)(=O)N1C(=O)CS/C1=N\c1ccccc1 16043895 RDFBKFLTHXTRAD-PFONDFGASA-N 326.443 2.770 30 40 EFEB CCOC(=O)c1ccccc1NS(=O)(=O)c1ccc(C#N)cc1 16129141 LMOLNSCJFNIXIZ-UHFFFAOYSA-N 330.365 2.536 30 40 EFEB CN(C)S(=O)(=O)c1ccc(CNc2ccc(C#N)cc2F)s1 69596728 HDUGVXQPRQSOPQ-UHFFFAOYSA-N 339.417 2.621 30 40 EFEB C/N=C1/S/C(=C/c2cc(Cl)c(OC)c(OC)c2)C(=O)N1C 408930101 SCZGYDUBRIRXML-KTWKVWFASA-N 326.805 2.889 30 40 EFEB CC(/C=N/NC1=NS(=O)(=O)c2ccccc21)=C\c1ccccc1 45870778 NTEXUNRTDLIRSP-GTSFMQCKSA-N 325.393 2.814 30 40 EFEB C#CCCCCC(=O)Nc1ccc(C(=O)N=[S@](C)(=O)N(C)C)cc1 585125827 GYCDAZIKDOVWJW-DEOSSOPVSA-N 349.456 2.533 30 40 EFEB CC(C)(C)[C@H](NCCC(=O)N(CC#N)CC#N)c1ccc(F)cc1 58330392 KVZKHXJFZRYEEC-QGZVFWFLSA-N 330.407 2.768 30 40 EFEB CC(C)c1nnc2n1C[C@H](CNCc1cn3ccccc3c1C#N)CC2 71877619 XEYSRRMYAVMKQA-HNNXBMFYSA-N 348.454 2.878 30 40 EFEB C=CCN1Cc2ccccc2C2(CCN(Cc3cnn(C)c3)CC2)C1 96079536 ADVXUKJMCWAOBZ-UHFFFAOYSA-N 336.483 2.956 30 40 EFEB C[C@@H]1C[C@@H]1/C(O)=N/S(=O)(=O)Cc1ccc(Br)cc1 96442830 HTHGNAXVXAKOFD-KCJUWKMLSA-N 332.219 2.891 30 40 EFEB N#Cc1ccc(F)c(NC(=O)C2CCN(C(=O)N3CCCC3)CC2)c1 585124981 BVHXTYOHKLOZCQ-UHFFFAOYSA-N 344.390 2.564 30 40 EFEB CCOc1ccc(S(=O)(=O)N/N=C/c2c[nH]c3ccccc23)cc1 3526769 GMRMKQRVVYGZLL-XDHOZWIPSA-N 343.408 2.879 30 40 EFEB Cc1nc(C2=C(N)N(C3CC(C)(C)NC(C)(C)C3)CC2=O)sc1C 13685619 GNEIBFOBEPPESP-UHFFFAOYSA-N 348.516 2.581 30 40 EFEB COC1(OC)C(C)(C)O[C@@H]2c3ccccc3C(=O)C[C@@H]2C1(C#N)C#N 340776 SJKGSAXGRXXHNI-GOEBONIOSA-N 340.379 2.762 30 40 EFEB N#CCc1ccc(NC(=O)C[C@@H]2CN(Cc3ccccc3)CCO2)cc1 71916464 YSQNNZPZKOUBIG-HXUWFJFHSA-N 349.434 2.982 30 40 EFEB COc1cc(C(=O)/C=C/c2cccc(O)c2)ccc1S(C)(=O)=O 57809960 MJYYWTQTMBINCG-SOFGYWHQSA-N 332.377 2.700 30 40 EFEB CC(=O)N1Cc2ccccc2C[C@@H]1C(=O)OCc1ccc(C#N)cc1 3339328 YVSWDPCIYMZTPY-LJQANCHMSA-N 334.375 2.575 30 40 EFEB COc1ccc(/C=N/NC(=S)N[C@H]2C[C@H]3CC[C@H]2C3)cc1OC 105389689 HZWCLXYETSTGAZ-PHVNBUQBSA-N 333.457 2.690 30 40 EFEB Cc1cc(C)c2nc(Nc3nc(C)c(CC#N)c(=O)[nH]3)nc(C)c2c1 20673257 AYCNINTZRXPLNY-UHFFFAOYSA-N 334.383 2.756 30 40 EFEB COC(=O)[C@@H](C#N)c1nc2ccccc2nc1N1C[C@@H](C)C[C@@H](C)C1 13598212 ORUOZITUZVUTOH-MJBXVCDLSA-N 338.411 2.892 30 40 EFEB N#Cc1c(NC(=O)CSc2cccc[n+]2[O-])sc2c1CCCC2 6251693 QGCAHSUTASQMQY-UHFFFAOYSA-N 345.449 2.863 30 40 EFEB C[C@@H](NC(=O)Cn1cnc(C#N)n1)c1ccc(-c2ccccc2)cc1 14143778 WRVZAQNJCYGASR-CQSZACIVSA-N 331.379 2.694 30 40 EFEB COc1cccc(CN(C)[C@H]2CCN(c3sccc3C#N)C2=O)c1 83127791 IIIBYNIMSCWITI-INIZCTEOSA-N 341.436 2.866 30 40 EFEB N#CCOc1ccc(/C=C/C(=O)N2CCC[C@@H](N3CCCC3)C2)cc1 71886434 JCQDCPHSTGJLJS-RUJXFNLJSA-N 339.439 2.689 30 40 EFEB N#Cc1ccc(CN[C@@H]2CCCN(Cc3noc(C4CC4)n3)C2)cc1 69599040 NPIMLRHVKJRWTL-QGZVFWFLSA-N 337.427 2.573 30 40 EFEB CCc1cnccc1/C(O)=N/S(=O)(=O)Cc1c(F)cccc1F 97113094 QZQAXAACKAQWSW-UHFFFAOYSA-N 340.351 2.757 30 40 EFEB CC(C)n1cc(C#N)c(NC(=O)c2cc(OCC(F)F)ccn2)n1 95993902 FZBXSPQNVQCKTJ-UHFFFAOYSA-N 335.314 2.627 30 40 EFEB N#Cc1cc(NC(=O)NC2(C(=O)NCC3CC3)CCCC2)ccc1F 95985650 ORQGHXPILKPTPE-UHFFFAOYSA-N 344.390 2.658 30 40 EFEB C=CCn1c(=S)sc2c(=O)n(CC[C@@H]3CCCC3=O)cnc21 75093481 RBBHKHXVZLRNPS-JTQLQIEISA-N 335.454 2.934 30 40 EFEB Cc1ccc([C@@H]2[C@H](S(=O)(=O)c3ccccc3)[C@@]2(C#N)C(=O)O)cc1 218357559 KFNIFYYPNXYJQI-RYRKJORJSA-N 341.388 2.529 30 40 EFEB N#Cc1ccc(C(=O)NCC(=O)N(CC2CC2)c2ccccc2)cc1 97379154 GRSSCWFEDAZSRZ-UHFFFAOYSA-N 333.391 2.731 30 40 EFEB N#C[C@]1(CO)[C@@H](c2cccc(Cl)c2)[C@H]1S(=O)(=O)c1ccccc1 242522257 IOGHZKOBTKSAEG-BBWFWOEESA-N 347.823 2.782 30 40 EFEB N#CCCN(Cc1cccnc1)C(=O)C1=NO[C@@H](c2ccccc2)C1 69617748 CKIXPBRWNVAEJP-GOSISDBHSA-N 334.379 2.841 30 40 EFEB NC(=O)CCn1cc(/C=N/Nc2nc3ccccc3[nH]2)c2ccccc21 14134282 QFDCSSZWIKGXCE-SRZZPIQSSA-N 346.394 2.839 30 40 EFEB CN(C)CCC(=O)C(=C/C=C/c1ccccc1)C(=O)CCN(C)C 1579762 NHDZBIGUKSFVIF-DHZHZOJOSA-N 328.456 2.668 30 40 EFEB CCOc1cc(/C=N/NC(=S)NCc2ccccc2)ccc1O 5953471 CKDNGKZODFLVJH-XDHOZWIPSA-N 329.425 2.789 30 40 EFEB C=CCO[C@H]1CN(C(=O)CCc2ccccc2F)[C@@H]2CCCO[C@H]12 2055754806 WXGAJRXFGWPYNL-AOIWGVFYSA-N 333.403 2.719 30 40 EFEB CC1=[N+](CC(=O)c2ccc(Br)cc2)CCn2cccc21 4866837 WNBQBXVSVGLXMQ-UHFFFAOYSA-N 332.221 2.969 30 40 EFEB O=C1/C(=C\NCc2ccccc2)[C@@](O)(C(F)F)Oc2ccccc21 9060008 HBTWUHYKGMSASY-BJRSVTDJSA-N 331.318 2.889 30 40 EFEB CCOc1cc(C(=O)N[C@@H](C#N)c2cnn(-c3ccccc3)c2)ccn1 96410121 ASHYMWZRRGGORS-KRWDZBQOSA-N 347.378 2.661 30 40 EFEB COC(=O)c1ccc(C)c(/N=C/c2ccc(N3CCOCC3)o2)c1 409016710 VLZXWOPDCFWQQN-XDHOZWIPSA-N 328.368 2.962 30 40 EFEB CCN(CCC#N)C(=O)CNc1cc(Br)ccc1OC 88524935 XNKJAAOYVAJBBT-UHFFFAOYSA-N 340.221 2.632 30 40 EFEB C=CCN1C(=O)/C(=C/c2ccccc2O[C@@H](C)CC)C(=O)NC1=S 408901629 GXGMPMWGRZUUNI-SEVUAYLXSA-N 344.436 2.677 30 40 EFEB C[C@@H](C(=O)NC1(C#N)CCCCC1)N1CCC2(CCOCC2)[C@@H]1C 375242873 RJSHBEOWVAFLGM-HOTGVXAUSA-N 333.476 2.609 30 40 EFEB Cc1ccc(S(=O)(=O)[C@H]2[C@@H](c3cccc(F)c3)[C@@]2(C#N)CO)cc1 225656374 HESFGOWNIWIOSN-FGTMMUONSA-N 345.395 2.576 30 40 EFEB Cc1cc([C@@](C)(O)CNC(=O)Nc2ccc(F)c(C#N)c2)c(C)o1 96434623 WZRBFEPGBWEBJT-KRWDZBQOSA-N 331.347 2.936 30 40 EFEB C=CCN1CCC[C@]12CCCN(S(=O)(=O)c1ccc(F)cc1)C2 96214814 LXXUPICUWYCJHT-QGZVFWFLSA-N 338.448 2.631 30 40 EFEB CC(C)(C)[C@H]1CCCN(c2ccc(C#N)cc2CS(N)(=O)=O)C1 585141885 HJQFTVRZYDTURW-HNNXBMFYSA-N 335.473 2.609 30 40 EFEB N#CC1(NC(=O)[C@@H]2C[C@H]2c2cccc(F)c2)CCC2(CC1)OCCO2 69874487 SKPVTNUDIHQIMI-JKSUJKDBSA-N 344.386 2.625 30 40 EFEB C=CCOc1ccc(C(=O)NCc2ccnc(OC)c2)cc1OC 48278703 JUVSWHKAJTVQHS-UHFFFAOYSA-N 328.368 2.594 30 40 EFEB CC(=O)n1nc(/N=C(/C)O)nc1SCc1ccc([N+](=O)[O-])cc1 33276 BXCHYHCQFJJICZ-UHFFFAOYSA-N 335.345 2.747 30 40 EFEB COc1cc2c3c(c1OC)C1(C=CC(=O)C=C1)C[C@H]3[N+](C)(C)CC2 296273 QUWNQGIEEDWQNY-OAHLLOKOSA-N 326.416 2.714 30 40 EFEB C=CCN1C(=O)C(C)(C)COc2cc(NC(=O)COCC)ccc21 8958778 GORLCXHMHHAKJB-UHFFFAOYSA-N 332.400 2.599 30 40 EFEB CCN1CCC(N(C(=O)[C@@H](C)Oc2ccc(C#N)cc2)C2CC2)CC1 57371116 FGEANJGXYZUTCL-OAHLLOKOSA-N 341.455 2.801 30 40 EFEB C[C@@H](C1CC1)N(CC(=O)Nc1c(C#N)cnn1-c1ccccc1)C1CC1 58226490 OBIFKEAKDHRZAH-AWEZNQCLSA-N 349.438 2.945 30 40 EFEB CCCCc1noc(CN2CCN(Cc3ccc(C#N)cc3)CC2)n1 29302024 SZUIUCMIPVWBAG-UHFFFAOYSA-N 339.443 2.602 30 40 EFEB Cc1ccc(Nc2nc(N)nc(COc3ccccc3C#N)n2)cc1 9127280 FZCYVENKLOZGEY-UHFFFAOYSA-N 332.367 2.957 30 40 EFEB C=CCn1c(Sc2ncc(C#N)c(N)n2)nnc1-c1cccs1 4335095 MCGSBZDHBZCUFM-UHFFFAOYSA-N 341.425 2.588 30 40 EFEB N#Cc1ccc(/N=N/c2ccc(N(CCO)CCO)cc2)cc1C#N 15081078 XRLKEDUXOWVXIB-QURGRASLSA-N 335.367 2.636 30 40 EFEB C=CCn1c(S[C@@H](C)C(=O)NC2CC2)nnc1-c1ccoc1C 6911602 RFIIIGDFYZEKIC-NSHDSACASA-N 332.429 2.792 30 40 EFEB C=CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccc(OCCC)cc1 16805185 KOFWZWBMPPMJPC-MRXNPFEDSA-N 346.452 2.997 30 40 EFEB CCc1cccc(OCC(=O)OCC(=O)Nc2ccccc2C#N)c1 8229822 GQUNHELZLUXZNL-UHFFFAOYSA-N 338.363 2.681 30 40 EFEB CCCCCCCn1c(SCCC)nc2c1c(=O)[nH]c(=O)n2C 8397430 SKGZOXOFGHHVJF-UHFFFAOYSA-N 338.477 2.896 30 40 EFEB COc1cc(C#N)ccc1OCC(=O)N1CCC[C@H](C(F)(F)F)C1 71870157 KARMWJOQSOSWHJ-LBPRGKRZSA-N 342.317 2.747 30 40 EFEB C[C@H](Cn1ncc2ccccc2c1=O)Nc1ccc([N+](=O)[O-])c(C#N)c1 97145365 INNWNKWARQWUPU-GFCCVEGCSA-N 349.350 2.677 30 40 EFEB O/C(Cc1cc(F)c(F)cc1F)=N\c1nc([C@@H]2CCCO2)n[nH]1 95473574 MUNHJVAOSRXPHR-NSHDSACASA-N 326.278 2.904 30 40 EFEB N#Cc1ccccc1Cn1cc([C@@H]2OCCN2Cc2ccccc2)nn1 216772705 FNYJVTJCQAEGNK-FQEVSTJZSA-N 345.406 2.729 30 40 EFEB N#Cc1c(NC(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)O)sc2c1CCC2 71892792 ZQLFEWDEONGWSL-GHSKTYPESA-N 328.393 2.570 30 40 EFEB N#Cc1ccc(F)c(CNC(=O)NCCc2ccc3c(c2)CCO3)c1 96440308 RYVGRKYLHGJZQO-UHFFFAOYSA-N 339.370 2.674 30 40 EFEB N#Cc1ccsc1N1CC[C@H](N2CCC(OCC3CC3)CC2)C1=O 95409289 XCLNETROZUNWLW-INIZCTEOSA-N 345.468 2.616 30 40 EFEB COc1ccc([C@H]2C(C(C)=O)=C(C)N=C3SCCC(=O)N32)cc1 66087828 RGHAJEQZPPIRRX-INIZCTEOSA-N 330.409 2.934 30 40 EFEB C[C@H](C#N)OC(=O)c1ccc(NS(=O)(=O)c2cccs2)cc1 23416149 PEKQHJVGNHJXNO-SNVBAGLBSA-N 336.394 2.618 30 40 EFEB CNC(=O)[C@@H](C#N)C(=O)c1ccc(Oc2ccc(Cl)cn2)cc1 101080264 GCOMMXKQNWYLDV-ZDUSSCGKSA-N 329.743 2.596 30 40 EFEB COCCN1C(=O)C(=O)/C(=C(/O)c2ccc(C)o2)[C@H]1c1ccccc1 102804468 DHYIKFDZABNONX-IBOXJLQUSA-N 341.363 2.656 30 40 EFEB CC/N=C1/S[C@H](C(=O)Nc2ccc(OCC)cc2)CC(=O)N1CC 100245266 IHWCKXUNHJHMFD-YWMAMYRUSA-N 349.456 2.754 30 40 EFEB C[C@@H]1CCCC[C@H]1NC(=O)CO/N=C(/N)Cc1ccccc1Cl 58439644 VGYFGKQYHVKREA-IUODEOHRSA-N 337.851 2.866 30 40 EFEB Cc1nn(CC(=O)Nc2ccc(C#N)c(Cl)c2)c(C)c1[N+](=O)[O-] 14686064 KDZIUWKLSZAUAC-UHFFFAOYSA-N 333.735 2.572 30 40 EFEB COc1ccc(/C=C2/CCc3c(cnn3C)C2=O)c(OC)c1OC 96307354 LVIQLANHHAUCDS-LUAWRHEFSA-N 328.368 2.658 30 40 EFEB N#Cc1ccc(SCCC(=O)N2CCCN3CCC[C@H]3C2)cc1 69348286 FDKSWSWISJOEML-INIZCTEOSA-N 329.469 2.737 30 40 EFEB C=CCN(CC1CCCCC1)C(=O)C1CCN(C(=O)N(C)C)CC1 71899789 MLCVGKAYJMTKHM-UHFFFAOYSA-N 335.492 2.975 30 40 EFEB COc1ccccc1OCCN1C(=O)/C(=N\O)c2cccc(Cl)c21 46084696 MORQTAYXPZDJNP-CYVLTUHYSA-N 346.770 2.953 30 40 EFEB N#Cc1cc(N)c(Cc2cccc(Cl)c2)n1CC(=O)N1CCCC1 225857896 RITCVAWIMIKDPI-UHFFFAOYSA-N 342.830 2.809 30 40 EFEB CC[C@H](OCCN[C@@H](C(N)=O)c1ccc(C#N)cc1)c1ccccc1 593181703 DNWSRBQKNMCBRQ-RBUKOAKNSA-N 337.423 2.842 30 40 EFEB C[C@H]1CCc2ccccc2N1C(=O)CO/N=C(/N)c1cccs1 54193566 CBBRSRWROFCEKM-LBPRGKRZSA-N 329.425 2.753 30 40 EFEB O=C1/C(=N\Nc2cccnc2)C(C(F)(F)F)=NN1c1ccccc1 6045695 IJHAWGGTKRDOGP-MTJSOVHGSA-N 333.273 2.815 30 40 EFEB N#Cc1ccccc1NC(=O)CCCS(=O)(=O)c1ccc(F)cc1 9914814 APXWGYVSUDSPMA-UHFFFAOYSA-N 346.383 2.890 30 40 EFEB C#CCN1C(=O)[C@](O)(CC(=O)c2ccc(C)cc2C)c2ccccc21 316520 SICQJPAATZHQMU-NRFANRHFSA-N 333.387 2.744 30 40 EFEB COc1ccc(/C=N/NS(=O)(=O)c2ccc(C)cc2)cc1Cl 478856 UTUZAAABGAMWRL-LICLKQGHSA-N 338.816 2.969 30 40 EFEB Cc1ccc(S(=O)(=O)OCCn2ccc3ccccc3c2=O)cc1 1706110 OQVDORHAOMPGIB-UHFFFAOYSA-N 343.404 2.715 30 40 EFEB N#Cc1ccc([C@H]2CC(O)=Nc3nc(N4CCOCC4)sc32)cc1 36356935 VLHJHRBLRDYNOS-CYBMUJFWSA-N 340.408 2.975 30 40 EFEB C=CCSc1nnc(NC(=O)COc2ccccc2C#N)s1 3398915 CFWDTMAXSOODFS-UHFFFAOYSA-N 332.410 2.705 30 40 EFEB C[C@@H](c1ccc(S(C)(=O)=O)cc1)N(C)C(=O)c1cccc(C#N)c1 13015780 QZPFZYURFIHKML-ZDUSSCGKSA-N 342.420 2.795 30 40 EFEB C[C@@]1(c2ccc(F)cc2)NC(=O)N(Cc2ccc(C#N)cc2F)C1=O 14183923 CVKRDGPJANELGK-SFHVURJKSA-N 341.317 2.804 30 40 EFEB N#CCSc1nc2nccnc2c(=O)n1Cc1ccccc1Cl 6818545 RQRYJALUMRHULA-UHFFFAOYSA-N 343.799 2.504 30 40 EFEB C[C@@]1(c2cc(F)ccc2F)NC(=O)N(Cc2cccc(C#N)c2)C1=O 7132549 WAMAWACHCSNCKN-SFHVURJKSA-N 341.317 2.804 30 40 EFEB C=CCOC(=O)c1ccc2c(c1)S(=O)(=O)N=C1CCCCCN12 8342758 FBKWEDQQFWPFQO-UHFFFAOYSA-N 334.397 2.511 30 40 EFEB COc1cc(N2CCOCC2)ccc1/C=N/c1cccc(C(=O)O)c1 409232627 AOWNMBXQXCKGRA-DEDYPNTBSA-N 340.379 2.981 30 40 EFEB COC(=O)c1ccc2c(c1)CC[C@H](NCC(C)(C)CCC#N)C(=O)N2 1616033986 GFBYWRQQYRIBSE-INIZCTEOSA-N 343.427 2.646 30 40 EFEB CCCC(=O)N1CCCC[C@@H]1C(=O)N(C)Cc1cccc(C#N)c1 57462453 WXSMRTTZJLJJLE-QGZVFWFLSA-N 327.428 2.698 30 40 EFEB N#Cc1cccc(NC(=O)CNC(=O)c2cccc(OC(F)F)c2)c1 11372596 BVRUQJOTBBHFQP-UHFFFAOYSA-N 345.305 2.528 30 40 EFEB Cc1ccc(S(=O)(=O)N2C(=O)CS/C2=N\c2ccccc2)cc1 16711616 SBWHOZWSGGSZKT-MSUUIHNZSA-N 346.433 2.947 30 40 EFEB COc1ccc(/C=N/c2cccc(N(C)S(C)(=O)=O)c2)cc1OC 19855738 GAQFUIKDHWEPOO-LDADJPATSA-N 348.424 2.850 30 40 EFEB N#Cc1cc(-c2ccccc2F)n(S(=O)(=O)c2cccnc2)c1 1911936408 PZUUKJCBWCBPQJ-UHFFFAOYSA-N 327.340 2.798 30 40 EFEB CCOC(=O)C1=C(N)OC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccco1 333602 SFQVTUOMCALBRI-AWEZNQCLSA-N 331.368 2.770 30 40 EFEB CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)OC(=O)CCC(=O)c1ccccc1 22123481 GPJXZIHCWISXME-KUHUBIRLSA-N 344.411 2.636 30 40 EFEB N#Cc1ccsc1NC(=O)CCCn1c(=O)oc2ccccc21 22915574 ZPPMMDHBRCQGSP-UHFFFAOYSA-N 327.365 2.947 30 40 EFEB N#C[C@@H]1C(=O)N=C2NN(c3ccccc3)C(O)=C2[C@H]1c1ccccc1 4992867 HZHYORWHHAIAJB-GJZGRUSLSA-N 330.347 2.643 30 40 EFEB C[C@@H](C#N)OC(=O)c1ccc(NS(=O)(=O)c2cccs2)cc1 23416150 PEKQHJVGNHJXNO-JTQLQIEISA-N 336.394 2.618 30 40 EFEB C[C@H](OC(=O)c1ccccc1CC#N)c1nc2ccccc2c(=O)[nH]1 23969923 IXTGUIRGXMLOFI-LBPRGKRZSA-N 333.347 2.907 30 40 EFEB C=CCNC(=O)c1ccccc1NS(=O)(=O)c1ccc(F)c(C)c1 12544843 XBPHUCTZMOWTMD-UHFFFAOYSA-N 348.399 2.851 30 40 EFEB CNC(=O)[C@@H](C#N)C(=O)c1ccc(Oc2ccc(F)c(F)c2)cc1 102758160 YEUURKHROXVALB-ZDUSSCGKSA-N 330.290 2.826 30 40 EFEB C=CCn1c(S[C@@H](C)C(=O)N2CCCC2)nc2ccsc2c1=O 11271618 UGHPXBFJAUYBTM-NSHDSACASA-N 349.481 2.747 30 40 EFEB C=CCSc1nc2c(c(=O)[nH]1)[C@@H](c1ccccc1C)CC(=O)N2 4944193 BSMFXWGHBKECCO-GFCCVEGCSA-N 327.409 2.831 30 40 EFEB Cc1ncc(C(=O)[C@H](C#N)c2nc3cc(Cl)ccc3c(=O)[nH]2)s1 72271769 JOFZZLRIWCHRBI-JTQLQIEISA-N 344.783 2.832 30 40 EFEB CC(C)c1noc([C@@H](C)N2CCN(Cc3cccc(C#N)c3)CC2)n1 69376101 VCKGIPGTXLQHHJ-OAHLLOKOSA-N 339.443 2.943 30 40 EFEB CCc1ccc(C(C)(C)CN/C(=N/C)NCc2nncn2CC)cc1 97021575 WSFMZSLBBKTBLH-UHFFFAOYSA-N 342.491 2.503 30 40 EFEB N#Cc1c(NC(=O)Cn2ccc(C(F)(F)F)n2)sc2c1CCC2 69610433 BYAHBGQJRDGQAE-UHFFFAOYSA-N 340.330 2.962 30 40 EFEB CCN(C[C@H](C)C#N)C(=O)Nc1ccc(N2CCOCC2)cc1C 72309832 IWXVPGCTRWQXJY-CQSZACIVSA-N 330.432 2.845 30 40 EFEB C[C@@H]1CCC[C@@](C#N)(NC(=O)c2cnn(CCN3CCCCC3)c2)C1 73767043 QFWXUUGWCMYZQL-VQIMIIECSA-N 343.475 2.571 30 40 EFEB N#CC1(C#N)[C@H](c2cccnc2)O[C@@]23CCCC[C@H]2[C@]1(C#N)C(=N)O3 4037160 TUNJAGRBRMZMRP-LBTBCDHLSA-N 333.351 2.590 30 40 EFEB CCn1cc(/C=N/N2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)c2ccccc21 409223576 INXJXUUZWWXROV-KKSKEVDBSA-N 333.391 2.802 30 40 EFEB Cc1ccc2nc3n(c2c1)[C@@H](CNC(=O)c1ccc(C#N)cc1)COC3 96112426 ICNLCUDSBPFQHG-INIZCTEOSA-N 346.390 2.718 30 40 EFEB biogenic,in-vitro N#Cc1nn(-c2ccc(Br)cc2)nc1N1CCCCC1 256046768 HYQAONFQXJGMJY-UHFFFAOYSA-N 332.205 2.892 30 40 EFEB C=CCSc1ccccc1C(=O)Nc1ccc(S(N)(=O)=O)cc1 390833545 JFDLYNBXVYZBIT-UHFFFAOYSA-N 348.449 2.864 30 40 EFEB C[C@@H](CNc1cc(C#N)ccc1C(F)(F)F)N1CCN(C)CC1 97096755 UCTCJOWQYSQREC-LBPRGKRZSA-N 326.366 2.625 30 40 EFEB COc1ccc(/C=N/c2cccc(N(C)S(C)(=O)=O)c2)c(OC)c1 19855720 NFTPDPHQLNLEPL-LDADJPATSA-N 348.424 2.850 30 40 EFEB N#Cc1ccc(N2C[C@@H]3CCN(CCOc4ccccc4)[C@@H]3C2)nc1 2086884668 GRVQVVGXUIAWOP-PKOBYXMFSA-N 334.423 2.543 30 40 EFEB CC1=C(C(=O)c2ccccc2)[C@H](c2ccc3c(c2)OCO3)NC(=O)N1 373880 FXPOUXRCSRECNM-KRWDZBQOSA-N 336.347 2.926 30 40 EFEB N#Cc1ccc(N2CCC[C@@H](N3CCNC3=O)C2)c(C(F)(F)F)c1 78838728 MHFQEQGEOYLHAV-GFCCVEGCSA-N 338.333 2.571 30 40 EFEB COc1cc(OC)c2cc(C(=O)c3ccc(C#N)cc3)c(=O)oc2c1 1590844 JAMIBQRHZIWFOT-UHFFFAOYSA-N 335.315 2.913 30 40 EFEB C/C(=C/C(=O)c1c(O)c2ccccc2n(C)c1=O)N1CCCCC1 6691180 SSUQACJENJAOEF-SEYXRHQNSA-N 326.396 2.817 30 40 EFEB C[C@H](NC(=O)NCCCc1n[nH]c(N)c1C#N)c1ccc(Cl)cc1 48235914 UNESDEOEGRQMQV-JTQLQIEISA-N 346.822 2.510 30 40 EFEB CNC(=O)[C@@H](C#N)C(=O)c1ccc(-c2ccc(OC)cc2)cc1F 102762962 IDNQASZFMCXCCI-HNNXBMFYSA-N 326.327 2.570 30 40 EFEB CC(C)(C(=O)N1CCN(c2ncccc2C#N)CC1)c1ccccc1 29530863 SSSRWTBORFUZFX-UHFFFAOYSA-N 334.423 2.580 30 40 EFEB COc1cc(C)c(NC(=O)COc2ccc(C#N)cc2)cc1OC 8942433 OICJGKCXEKXIBD-UHFFFAOYSA-N 326.352 2.901 30 40 EFEB C[C@]1(c2ccc(F)cc2)NC(=O)N(Cc2ccc(C#N)cc2F)C1=O 14183924 CVKRDGPJANELGK-GOSISDBHSA-N 341.317 2.804 30 40 EFEB Cc1sc(NC(=O)[C@H]2CC(=O)N(C3CCCC3)C2)c(C#N)c1C 69368034 YBQIVMVHEGDMHH-LBPRGKRZSA-N 331.441 2.966 30 40 EFEB N#Cc1ccc(NCC2CCN(C[C@@H](O)c3ccccc3)CC2)nc1 69779205 WMPZRFPESOZVGF-LJQANCHMSA-N 336.439 2.811 30 40 EFEB C#CCOc1ccc(NC(=O)c2cc(=O)n(-c3ccc(C)cc3)[nH]2)cc1 73476131 PBTXCHBEWDKBEX-UHFFFAOYSA-N 347.374 2.738 30 40 EFEB C#CCOc1ccc(/C=N\Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 408943993 SZZVCDLMZKXVBX-BOPFTXTBSA-N 340.295 2.961 30 40 EFEB Cc1ccc(Cc2n[nH]c(=NC(=O)N[C@@H]3CCC[C@@H]3C#N)s2)cc1 613144510 ZPCCLGROZLGEIK-ZIAGYGMSSA-N 341.440 2.673 30 40 EFEB C#CCCC1(CCC(=O)N[C@H](C(=O)O)c2cc(F)ccc2F)N=N1 1616032320 TYPKBFMBMGCPLI-AWEZNQCLSA-N 335.310 2.562 30 40 EFEB Cc1cc([C@@H](C#N)C(=O)c2ccc(CN3CCCC3=O)cc2)nc(C)n1 49405184 AROKNDZMADXKTC-QGZVFWFLSA-N 348.406 2.706 30 40 EFEB Cc1cc(NCCCS(C)(=O)=O)n2c(nc3ccccc32)c1C#N 84109983 JTNCUSZBFWOLHG-UHFFFAOYSA-N 342.424 2.514 30 40 EFEB CNC(=S)N/N=C/c1cccc(OCCOc2ccc(C)cc2)c1 4196552 VOHCTAGNZUZHKQ-DEDYPNTBSA-N 343.452 2.881 30 40 EFEB Cc1ccc(C)c(S(=O)(=O)N/N=C/c2ccc([N+](=O)[O-])cc2)c1 2631899 PKUDXAIFAWSQPX-MHWRWJLKSA-N 333.369 2.524 30 40 EFEB N/C(COc1cccc(Cl)c1)=N\OC(=O)c1ccnc(Cl)c1 4280818 FLJSNCLAJAMWKJ-UHFFFAOYSA-N 340.166 2.896 30 40 EFEB COc1cc(NC(=O)[C@H](C)Oc2ccc(C#N)cc2)cc(OC)c1 5681818 NNCZKZRVVGLFGO-LBPRGKRZSA-N 326.352 2.981 30 40 EFEB CC(C)N1CCc2c(C#N)c(NCc3ccccc3)n3cnnc3c2C1 20676982 LXYGKWXBDSAEBO-UHFFFAOYSA-N 346.438 2.980 30 40 EFEB CC(=O)C1=C(O)C(=O)N(CCCn2ccnc2)[C@H]1c1ccc(C)cc1 273484 VLADHYIARKSFHO-KRWDZBQOSA-N 339.395 2.566 30 40 EFEB CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)OC(=O)CCC(=O)c1ccccc1 22123485 GPJXZIHCWISXME-AUUYWEPGSA-N 344.411 2.636 30 40 EFEB N#CCCN(C1CCCCC1)S(=O)(=O)CCOc1ccccc1 2026199 DSEMVNCIYVNOAT-UHFFFAOYSA-N 336.457 2.944 30 40 EFEB C=C(C)CN1CCC(NC(=O)Nc2cnc(C(C)(C)C)nc2)CC1 106323926 HTAIWXXTOYXPPH-UHFFFAOYSA-N 331.464 2.936 30 40 EFEB CN(Cc1cn2ccccc2c1C#N)C[C@@H]1CCCN1c1cccnn1 71877490 SBJVYCNVXDYGEQ-KRWDZBQOSA-N 346.438 2.702 30 40 EFEB Cc1ccc2oc(CN(CC(=O)NCC#N)Cc3ccco3)cc2c1 71916180 JGAKJULGSYNOPA-UHFFFAOYSA-N 337.379 2.976 30 40 EFEB N#Cc1cccc(CN(Cc2cccs2)[C@H]2CCS(=O)(=O)C2)c1 48234746 IKQNUJGRAWDFBT-INIZCTEOSA-N 346.477 2.809 30 40 EFEB O=C1Nc2ccc(Cl)cc2/C1=N/NC(=S)Nc1ccccc1 2571126 NNWRKVMFQNWIRJ-UHFFFAOYSA-N 330.800 2.983 30 40 EFEB O=C1C2=C(NC(=S)N[C@H]2c2ccc3c(c2)OCO3)c2ccccc21 4072826 HFNIUYSOKRIOPE-HNNXBMFYSA-N 336.372 2.542 30 40 EFEB C=CCOc1ccccc1/C=C1\SC(=S)N([C@@H](C)C(=O)O)C1=O 4356861 NREPEKPAWJSBJE-AVMBBCFPSA-N 349.433 2.926 30 40 EFEB C=CCNC(=O)[C@@H](C)Sc1nnc(-c2ccoc2C)n1CC=C 7172200 IYIYTUXESZNCHN-GFCCVEGCSA-N 332.429 2.815 30 40 EFEB COc1ccc(S(=O)(=O)/N=C(\O)c2ccccc2C)cc1OC 95385806 BSNSCXNQCWRYKN-UHFFFAOYSA-N 335.381 2.706 30 40 EFEB C=CCn1c(S[C@H]2C=CCCC2)nnc1[C@H]1CCS(=O)(=O)C1 84670721 HGRDJBZBOOIALJ-STQMWFEESA-N 339.486 2.567 30 40 EFEB CC(C)n1cccc1C(=O)Nc1ccc(-n2ncc(C#N)c2N)cc1 195547507 GSBVKNBONHJYEN-UHFFFAOYSA-N 334.383 2.961 30 40 EFEB Cc1nc(-c2ccccc2)ccc1C(=O)NC1(C#N)CCN(C)CC1 69415491 ICDDGEWWDCZDGO-UHFFFAOYSA-N 334.423 2.775 30 40 EFEB CC(C)(C)OC(=O)N1CCC2(CC1)CCN2C[C@H](C#N)CCC#N 193751303 PLLLZLLJIZUDMW-HNNXBMFYSA-N 332.448 2.905 30 40 EFEB C=CC[C@@]1(C(=O)OC)C(=O)C[C@H]2CC[C@H]1N2Cc1cccc(OC)c1 247810622 CGIDQQOEELFCCF-MDYRTPRTSA-N 343.423 2.737 30 40 EFEB Cc1c(-c2ccc(Cl)cc2)oc(=O)c(C#N)c1N1CCOCC1 585145618 FKOPRCWKUXSNTK-UHFFFAOYSA-N 330.771 2.977 30 40 EFEB COc1ccc(COCC(=O)NC(C)(C)c2cccc(C#N)c2)cn1 600093010 NWFQNGOVZNNJIS-UHFFFAOYSA-N 339.395 2.530 30 40 EFEB Cc1nc(C)n(C[C@H]2CCCN(Cc3cc(C#N)ccc3F)C2)n1 69841981 ILVAFTUZZFMAPB-INIZCTEOSA-N 327.407 2.818 30 40 EFEB N#C[C@@H](C(=O)/C=C/c1cccc2ccccc12)C(=O)NC[C@H]1CCCO1 103502364 BZJUYIBJWMJIFM-LTFCCEMQSA-N 348.402 2.857 30 40 EFEB CCOc1cc([N+](=O)[O-])cc(/C=N/c2ccc3[nH]c(=O)[nH]c3c2)c1O 3068504 XZZBFZBMJYZVMC-CAOOACKPSA-N 342.311 2.619 30 40 EFEB O=C1/C(=N/Nc2ccc3c(c2)OCO3)Sc2nc3ccccc3n21 100838637 LEAOSBIQYZUVAW-RGEXLXHISA-N 338.348 2.937 30 40 EFEB N#Cc1cccc(S(=O)(=O)NC[C@@H]2CCCc3ccccc32)c1 32771240 ODVQOAIIHLAHHY-INIZCTEOSA-N 326.421 2.957 30 40 EFEB N#C[C@@H](C(=O)Cn1nnc2ccccc21)c1ccc(C(F)(F)F)cn1 41553420 PWNQLGAHQPYNBI-LLVKDONJSA-N 345.284 2.722 30 40 EFEB C=CCNC(=O)c1ccc(Cn2cc(C(F)(F)F)ccc2=O)cc1 3041391 MVSOJYWLLZJRHK-UHFFFAOYSA-N 336.313 2.831 30 40 EFEB CCOC(=O)c1cnn(-c2nc3ccccc3s2)c1/N=C/N(C)C 3182266 MUDIZANWVNITTM-LICLKQGHSA-N 343.412 2.880 30 40 EFEB N#Cc1c(N)sc2c1CCN(c1nccc(C(F)(F)F)n1)C2 12923658 GAZLCMDWZWBCIN-UHFFFAOYSA-N 325.319 2.573 30 40 EFEB N#Cc1ccc(COC(=O)[C@H]2CC(=O)N(CCc3ccccc3)C2)cc1 6150449 BIAIATNTDIUTOX-IBGZPJMESA-N 348.402 2.693 30 40 EFEB Cc1cc(/C=N/Nc2ccc(S(N)(=O)=O)cc2)c(C)n1CC(C)C 6608235 ORNPZBHURMJIER-VXLYETTFSA-N 348.472 2.854 30 40 EFEB Cc1ccccc1C(C)(C)CNC(=O)C(=O)Nc1cccc(C#N)c1 69367028 MOXNXPTUARAVJS-UHFFFAOYSA-N 335.407 2.899 30 40 EFEB Cc1ccc(-n2nc(NCC(=O)N[C@](C)(C#N)C3CC3)cc2C)cc1 97034879 OYGZTHYJEIQDMW-LJQANCHMSA-N 337.427 2.710 30 40 EFEB COCCOc1ccc(Nc2ncnc3c2cnn3CCC#N)cc1 97200282 VDBSCBPINVYCRR-UHFFFAOYSA-N 338.371 2.509 30 40 EFEB N#Cc1ccc(OCCNC(=O)N2CCCC[C@@H]2c2cn[nH]c2)cc1 97234378 SIIUSSNMMRUCBM-QGZVFWFLSA-N 339.399 2.597 30 40 EFEB C[C@H](NC(=O)N1CC(Oc2ccc(C#N)cc2)C1)c1ccc(C#N)cc1 95943098 SIEUBQXKUIDHHZ-AWEZNQCLSA-N 346.390 2.964 30 40 EFEB COc1ccccc1N=C1NC(=O)/C(=C/c2ccc(O)cc2O)S1 408721573 ULTRRIGZRSGYLV-NVNXTCNLSA-N 342.376 2.998 30 40 EFEB Cc1ccc2[nH]c3c(=O)n(/N=C\c4ccccc4F)c(O)nc3c2c1 33320056 PZODKDBUBZPUSN-UKWGHVSLSA-N 336.326 2.913 30 40 EFEB C=CCNC(=S)Nc1nc(N2CCCC2)cc(C(F)(F)F)n1 225925949 ROOOABUECMQTCC-UHFFFAOYSA-N 331.367 2.568 30 40 EFEB C[C@@H]1O[C@H](C)[C@H](C(=O)N2CCC[C@@](C#N)(c3ccccn3)C2)[C@@H]1C 529521745 ZTTRCUDJADTTHT-MOXHTAKSSA-N 327.428 2.525 30 40 EFEB CCN(CC)C(=O)[C@H]1CCCN1C(=O)Nc1ccc(F)c(C#N)c1 96434621 FDDWUYQSFIKMAK-OAHLLOKOSA-N 332.379 2.562 30 40 EFEB N#Cc1cccc(C(=O)N2CCOC[C@H]2CC(=O)c2ccccc2)c1 96466912 PZHHVAWWZXZWNA-GOSISDBHSA-N 334.375 2.672 30 40 EFEB N#CCCCOc1cccnc1NC(=O)NC1[C@H]2[C@H]3CC[C@@H](C3)[C@H]12 248889254 YHVYSJZPQQAHBY-JURCDPSOSA-N 326.400 2.930 30 40 EFEB N#Cc1cccc(NC(=O)C(=O)NC2(c3cccc(Cl)c3)CC2)c1 72294338 HXOZMQGIESQREH-UHFFFAOYSA-N 339.782 2.956 30 40 EFEB N#Cc1cccc(CNCCCS(=O)(=O)Cc2ccccc2)c1 48784045 XFKCVRZPXCHFBX-UHFFFAOYSA-N 328.437 2.653 30 40 EFEB Cc1ccsc1CNC(=O)C1CCN(c2ccc(C#N)cn2)CC1 40499073 CEKKPJOAOSUQCQ-UHFFFAOYSA-N 340.452 2.856 30 40 EFEB Cc1cc(=O)[nH]c(SCC(=O)N[C@@H](C)[C@H]2C[C@H]3CC[C@H]2C3)c1C#N 102210414 YGTZTYURKUODOD-XDQVBPFNSA-N 345.468 2.588 30 40 EFEB COc1ccc([C@H]2C(C(C)=O)=C(O)C(=O)N2Cc2cccnc2)cc1 77987 BCHQLIFQFCPGHF-KRWDZBQOSA-N 338.363 2.575 30 40 EFEB biogenic CC(=O)C1=C(c2ccc(C)c(C)c2)N(C(C)=O)n2c(C)nnc2S1 4518222 QFBIXLDLBOLIFR-UHFFFAOYSA-N 342.424 2.751 30 40 EFEB Cc1ccc(S(=O)(=O)O[C@@H]2[C@H]3[C@H]4S[C@H]5[C@H]2[C@@H]2[C@H]3C[C@H]4[C@H]52)cc1 104055763 IJOQHVCJLFLQPZ-FLPANKCQSA-N 334.462 2.695 30 40 EFEB COc1ccc(CCNC(=O)NCC#Cc2ccccc2)cc1OC 43643576 NSACUVDGKHUWIU-UHFFFAOYSA-N 338.407 2.597 30 40 EFEB CCCCCCCCn1c(SCC)nc2c1c(=O)[nH]c(=O)n2C 2208211 FUPWROGNZBBGAU-UHFFFAOYSA-N 338.477 2.896 30 40 EFEB CN(Cc1ccco1)C(=O)CCC(=O)N(CCC#N)c1ccccc1 65474851 LYIXDDSMPYAWKL-UHFFFAOYSA-N 339.395 2.965 30 40 EFEB COc1ccc(NC(=O)[C@H]2CCCN2C(=O)c2cccc(C#N)c2)cc1 65585151 WFHMUTZRHDIQQV-GOSISDBHSA-N 349.390 2.810 30 40 EFEB CNS(=O)(=O)Cc1cccc(CNc2ccc(C#N)c(Cl)c2)c1 69772657 INXUOECANBPBJK-UHFFFAOYSA-N 349.843 2.873 30 40 EFEB CCS[C@H]1C(C(=O)c2cccc(C)c2)=C(CC(=O)O)C(=O)N1C 62716284 BNIBYPFYUXZINS-KRWDZBQOSA-N 333.409 2.500 30 40 EFEB N#Cc1ccc(CCC(=O)NC[C@@H]2CCCN2c2ccccn2)cc1 225630115 WHZIGDWRRZTWJR-SFHVURJKSA-N 334.423 2.671 30 40 EFEB CCn1cc(S(=O)(=O)/N=C(\O)CCc2c[nH]c3ccccc23)cn1 96453129 OCCRKYLBCWMQCF-UHFFFAOYSA-N 346.412 2.662 30 40 EFEB C=C(C)CN1CCC(NC(=O)Nc2ccccc2C(=O)N(C)C)CC1 96404567 ZKNWYIHYFISZPU-UHFFFAOYSA-N 344.459 2.550 30 40 EFEB CN(c1nccs1)S(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1 96459653 TZHQVPQFBXZRDY-UHFFFAOYSA-N 347.343 2.859 30 40 EFEB N#C[C@]1(c2ccccn2)CCCN(CC(=O)NCC2CCCCC2)C1 585094439 DFXKXBZPKBPVAR-HXUWFJFHSA-N 340.471 2.635 30 40 EFEB COc1c2c(cc3c1[C@@H](C#C[C@@](C)(O)CC(C)C)N(C)CC3)OCO2 20113501 WDWVQTOTLXZGON-FOIQADDNSA-N 345.439 2.753 30 40 EFEB biogenic N#Cc1c(CCCNC(=O)C2CCCC2)nn(-c2ccccc2)c1N 40512134 LKTOQHTVJHZPQU-UHFFFAOYSA-N 337.427 2.565 30 40 EFEB COCCN1C(=O)C(=O)/C(=C(/O)c2ccccc2)[C@@H]1c1ccccc1 102799995 YEERIRCECNUBJA-HVESIFNPSA-N 337.375 2.755 30 40 EFEB COc1ccc2nc(SCC(=O)N3CCCC3)c(C#N)cc2c1 412597 IUSVHLOMHMONPE-UHFFFAOYSA-N 327.409 2.830 30 40 EFEB CCn1cc(S(=O)(=O)/N=C(\O)c2cccn2C2CCCC2)cn1 97049062 HPLLGDHVXFDMHK-UHFFFAOYSA-N 336.417 2.513 30 40 EFEB COCCCNC(=S)N/N=C/c1cc(Cl)cc(Cl)c1O 6482889 VORGXWCQEJRSQU-FRKPEAEDSA-N 336.244 2.534 30 40 EFEB CCn1c(=O)n(CCC(=O)Nc2ccc(C#N)cc2)c2ccccc21 10408236 OTGOAJQRGMJPNP-UHFFFAOYSA-N 334.379 2.723 30 40 EFEB CN(C(=O)COc1cc(Cl)ccc1C(N)=O)C1(C#N)CCCCC1 58295035 ATQWTBSSLNGGNA-UHFFFAOYSA-N 349.818 2.503 30 40 EFEB C/C(=C\C(=O)C(F)(F)F)NC[C@H](c1cccs1)N1CCOCC1 13148036 XGABUDCFFSDUIL-LMMOQWNQSA-N 348.390 2.746 30 40 EFEB C=CCNc1nc(N)c([N+](=O)[O-])c(Nc2ccc(OCC)cc2)n1 5049853 FNOATFBNJYQFIJ-UHFFFAOYSA-N 330.348 2.707 30 40 EFEB C[C@@]12CCC(=O)N1[C@H](C(=O)Nc1sc3c(c1C#N)CCC3)CS2 65594644 AMXLFHFFXJYUCJ-MEDUHNTESA-N 347.465 2.501 30 40 EFEB C#CCN1CCC(C(=O)N(C)Cc2cccc(OC(F)F)c2)CC1 65577319 KISRPTVUCAWZML-UHFFFAOYSA-N 336.382 2.592 30 40 EFEB COc1ccc(Nc2nc(NN)c3c(c2C#N)CC(C)(C)OC3)cc1 6669595 INJAUEZAQAZGIM-UHFFFAOYSA-N 339.399 2.842 30 40 EFEB C=CCN(CC=C)C(=O)CSc1nc(C)cc(COC)c1C#N 4708787 YGWFMRKQYPKNSE-UHFFFAOYSA-N 331.441 2.701 30 40 EFEB CC(=O)C1=C(O)C(=O)N(CCCCCC(=O)O)[C@H]1c1ccccc1 17730792 IINIQSYJRNTYTO-INIZCTEOSA-N 331.368 2.616 30 40 EFEB biogenic C[C@@H](NC1(CNC(=O)C(C)(C)C#N)CCOCC1)c1ccccc1 79096397 UCFJKBNGHQFKBS-OAHLLOKOSA-N 329.444 2.552 30 40 EFEB CC[C@H](C(=O)N1CC[C@H](Oc2nccnc2C#N)C1)c1ccccc1 225799499 YZLAFGUPZICFSZ-HOTGVXAUSA-N 336.395 2.522 30 40 EFEB C=CCOC[C@]12CCCO[C@H]1CCN(C(=O)c1cc(C)[nH]c1C)C2 96039737 YOGJNZGAJJGADJ-PKOBYXMFSA-N 332.444 2.845 30 40 EFEB C=CCO[C@H]1CC[C@H]2[C@H]1OCCN2C(=O)c1cn(C)c2ccccc12 96042039 LYXIUHQVMHDZJR-GBESFXJTSA-N 340.423 2.753 30 40 EFEB C[C@H](C#N)CNC(=O)Nc1cccc(OCCN2CCCCC2)c1 95410915 MBYGXQDPYAUEPM-OAHLLOKOSA-N 330.432 2.832 30 40 EFEB N#Cc1cccc(N[C@@H]2CO[C@]3(CCCN(Cc4ccccn4)C3)C2)n1 96048315 LQDCYOSCNOXXFJ-AZUAARDMSA-N 349.438 2.584 30 40 EFEB Cc1cc(S(=O)(=O)/N=C(\O)CCc2cccnc2)c(F)cc1F 96485450 GOGQANKRVXDVIH-UHFFFAOYSA-N 340.351 2.946 30 40 EFEB N#Cc1cccc(C(=O)NC[C@H](c2ccco2)N2CCSCC2)c1 253394567 BGZSFNPQHVKVCF-MRXNPFEDSA-N 341.436 2.671 30 40 EFEB CS(=O)(=O)c1cccc(OCCOc2ccc(C#N)c(F)c2)c1 77936849 KSBHNSHZGYZHKL-UHFFFAOYSA-N 335.356 2.559 30 40 EFEB Cc1cc2n(c(=O)c1C#N)CCN2c1cccc(Br)c1 5587703 NDZKHBZWLWFGHV-UHFFFAOYSA-N 330.185 2.943 30 40 EFEB CCOC[C@@H]1CN(c2ccc(C#N)cc2F)C[C@H]1c1cnn(C)c1 585655476 NHWKACAFNVQCLV-HOTGVXAUSA-N 328.391 2.687 30 40 EFEB CC1(C)CC(=O)C2=C(C1)Nc1ncnn1[C@H]2c1ccc([N+](=O)[O-])cc1 18219344 VDAMFCTXJJFANM-HNNXBMFYSA-N 339.355 2.844 30 40 EFEB Cc1nc(NC(=O)CCc2c(C)[nH]c(=O)c(C#N)c2C)sc1C 40463276 UTYQTRQXDYVLFD-UHFFFAOYSA-N 330.413 2.508 30 40 EFEB CCCOc1ccc(/C=C/C(=O)[C@@H]2C(=O)C=C(C)OC2=O)cc1OC 103085729 AALQEFUTGMVUFX-SUQGKYDKSA-N 344.363 2.712 30 40 EFEB COc1ccc([C@H]2[C@@H]3CCCC[C@]3(O)CCN2CC#N)c(OC)c1 61997559 JNNJEVXFLCNFBA-WDSOQIARSA-N 330.428 2.895 30 40 EFEB biogenic COc1ccc(C(=O)C[n+]2ccc3c(c2)nnn3-c2ccccc2)cc1 1777487 HIHYKKFLYRHNEH-UHFFFAOYSA-N 345.382 2.600 30 40 EFEB N#Cc1cccnc1NCC(=O)Nc1ccc(Br)cc1 49321421 TYSJEMSFFNFHRN-UHFFFAOYSA-N 331.173 2.766 30 40 EFEB N#C[C@H](C(=O)[C@@H]1CC=CCC1)c1nc(N)nc(Nc2ccccc2)n1 49392866 CEFTWXOADVZPBM-TZMCWYRMSA-N 334.383 2.730 30 40 EFEB C=CCOc1ccc(C2N3CC4(C)CN2CC(CC)(C3)C4=O)cc1 19324929 JVCCEGFGIBDTEB-UHFFFAOYSA-N 326.440 2.867 30 40 EFEB COCCN1C(=O)C(O)=C(C(=O)c2ccco2)[C@H]1c1ccccc1 6786287 MCTMCRSYTMQRGS-OAHLLOKOSA-N 327.336 2.504 30 40 EFEB C=CCN1C(=O)/C(=C\c2cccc(OC)c2OC)C(C(=O)OC)=C1C 408798707 WROOWQQDQQZBKT-KAMYIIQDSA-N 343.379 2.562 30 40 EFEB N#CCCN(Cc1ccccn1)C(=O)/C=C/c1ccccc1[N+](=O)[O-] 69769606 YJQLTRZHJLSQDP-MDZDMXLPSA-N 336.351 2.945 30 40 EFEB CC(C)c1cc(CNC(=O)N2CC(Oc3ccc(C#N)cc3)C2)on1 96503104 YYVGFIMAXQWALT-UHFFFAOYSA-N 340.383 2.642 30 40 EFEB N#CCc1cccc(C(=O)N[C@H](CC(=O)O)c2ccc(F)cc2)c1 95960083 MIHCMBKDWCKCQZ-MRXNPFEDSA-N 326.327 2.838 30 40 EFEB Cc1cc(-n2nc(C)cc2NC(=O)c2cc(C#N)cs2)nc(C)n1 89599398 OQLKMAPYXALSEZ-UHFFFAOYSA-N 338.396 2.773 30 40 EFEB Cc1ccc(S(=O)(=O)[C@@H]2[C@@H](c3cccc(F)c3)[C@@]2(C#N)CO)cc1 225656351 HESFGOWNIWIOSN-KZNAEPCWSA-N 345.395 2.576 30 40 EFEB CN(Cc1ccccc1)c1nn(-c2ccccc2[N+](=O)[O-])nc1C#N 256047970 PSPCTLDTKQZJPP-UHFFFAOYSA-N 334.339 2.684 30 40 EFEB COc1cc(C#N)ccc1OCC(=O)N1CC[C@@H]2CCCC[C@H]2C1 7017268 SXTLVHGZOIWAHI-HOTGVXAUSA-N 328.412 2.984 30 40 EFEB N#Cc1cc2c([nH]c1=O)CCN(C(=O)c1cc3ccccc3s1)C2 225683594 DDOROWNMUVAQLT-UHFFFAOYSA-N 335.388 2.660 30 40 EFEB COc1cccc(CNC(=O)Cn2cc(C#N)c3ccccc32)c1OC 51319118 BQQHDCDBRIRLTP-UHFFFAOYSA-N 349.390 2.847 30 40 EFEB Cc1ccc(CNC(=O)[C@H](C#N)C(=O)[C@H]2COc3ccccc3C2)cc1 101162160 TXAMDMKIYFPYFR-QZTJIDSGSA-N 348.402 2.571 30 40 EFEB C[C@@H]1CN(c2ccc(CNc3snc(Cl)c3C#N)cn2)CCO1 52245952 NQHHXODPSZSUPQ-SNVBAGLBSA-N 349.847 2.900 30 40 EFEB N#C[C@H]1C(=O)N=C2NN(c3ccccc3)C(O)=C2[C@H]1c1ccccc1 4992865 HZHYORWHHAIAJB-CABCVRRESA-N 330.347 2.643 30 40 EFEB COc1ccc(-n2c(C)c(C)c(C#N)c2NC(=O)Cn2ccnc2)cc1 12547711 IFWSXVFYKJORGU-UHFFFAOYSA-N 349.394 2.810 30 40 EFEB O=C(NOC(=O)c1ccc(F)cc1)c1ccc(OC(F)F)cc1 3202022 JYNWEICFDVZHRW-UHFFFAOYSA-N 325.242 2.929 30 40 EFEB CCOC(=O)C(=O)C1=C(N2CCOCC2)/C(=C/c2ccccc2)CC1 3200335 MFFOHSKDYWDELC-JQIJEIRASA-N 341.407 2.582 30 40 EFEB C=CCN(CC(=O)Nc1ccccc1)S(=O)(=O)c1ccccc1 14094424 JLTBBGJPPHDZCX-UHFFFAOYSA-N 330.409 2.502 30 40 EFEB N#C[C@H](C(=O)c1cccc(F)c1)c1nnnn1-c1ccc(Cl)cc1 16399094 JJVUAZVCXGUZQN-CQSZACIVSA-N 341.733 2.945 30 40 EFEB N#Cc1c(F)cccc1S(=O)(=O)N1CC[C@H](Oc2ccccc2)C1 96428031 MJSQCJXYHFOTPQ-AWEZNQCLSA-N 346.383 2.539 30 40 EFEB C[C@H](c1ccc(F)cc1F)N1CCN(c2nccnc2C#N)CC1 69629350 LOPZOZMLRHQTQO-GFCCVEGCSA-N 329.354 2.510 30 40 EFEB CC(=O)N[C@@H](CC(=O)N(CC#N)c1cccc(F)c1)c1ccccc1 69736977 KVFZLPMZLHGVFJ-SFHVURJKSA-N 339.370 2.950 30 40 EFEB CCCNC(=O)CCCC(=O)[C@@H](C#N)c1ccc(C(F)(F)F)cn1 71920416 FUNAXUTXIULRBC-LBPRGKRZSA-N 341.333 2.973 30 40 EFEB C[C@@H](Cc1ccc(F)c(Br)c1)C(=O)NC1(C#N)CC1 95421496 MCIGLDUOAQEQKV-VIFPVBQESA-N 325.181 2.939 30 40 EFEB N#CCCn1ncc2c(NC[C@@H]3CCN(c4ccccc4)C3)ncnc21 97200221 BEUQWCYXOXBYMC-HNNXBMFYSA-N 347.426 2.678 30 40 EFEB CN1CC[C@H](NC(=O)c2ccc(C#N)cn2)[C@H]1c1ccc(Cl)cc1 110696570 PIUVJWGREBGLGN-DOTOQJQBSA-N 340.814 2.782 30 40 EFEB N#Cc1c(NC(=O)COC[C@H]2CCCO2)cccc1OC(F)(F)F 514586438 PFLKNQDWKRUYFA-SNVBAGLBSA-N 344.289 2.591 30 40 EFEB CN(C)c1cc(C#N)cc(C(=O)N2CC[C@H](Oc3ccccc3)C2)c1 567930805 JPDZOLLPNBTRRH-IBGZPJMESA-N 335.407 2.918 30 40 EFEB C=CC1CCN(C(=O)Cc2ccc(S(=O)(=O)C(C)C)cc2)CC1 96500498 FQGMVBXWCUXQTI-UHFFFAOYSA-N 335.469 2.836 30 40 EFEB CC(C)(C#N)NC(=O)c1cc(Br)nc(Br)c1 585125661 AQNZECCIBSWISO-UHFFFAOYSA-N 347.010 2.639 30 40 EFEB N#Cc1c(CCCNC(=O)c2ccc(-c3ccccc3)cc2)n[nH]c1N 12547364 QGBXSTLLUOBOKC-UHFFFAOYSA-N 345.406 2.893 30 40 EFEB C=C[C@](C)(O)[C@@H]1C[C@H]2[C@](C)(O1)[C@@H](O)[C@@H](O)[C@H]1C(C)(C)CCC[C@]12C 248040143 UNORIIWPFZFSEC-RFMGOVQKSA-N 338.488 2.655 30 40 EFEB biogenic,in-vitro Cc1nc2ccc(N3CCN(Cc4ccc(C#N)cc4)CC3)nn2c1C 2087043848 XCWIPZUOHGHDJT-UHFFFAOYSA-N 346.438 2.540 30 40 EFEB C=C(C)Cn1c2c(c(=O)[nH]c1=S)CN(CCc1ccccc1)CN2 20567549 FPKWTDJXAXXQQP-UHFFFAOYSA-N 342.468 2.910 30 40 EFEB CCN1CCN(c2ccc(/N=C/c3ccc(O)cc3O)cc2)CC1 353118 PPHKBOTUZDXUDK-XSFVSMFZSA-N 325.412 2.990 30 40 EFEB C[C@@](C#N)(NC(=O)CSc1ccc(Br)cn1)C1CC1 52914774 NBRJNQSPQBBCKK-ZDUSSCGKSA-N 340.246 2.745 30 40 EFEB C=CCNC(=O)[C@@H]1CCCN(c2ncnc3c2oc2ccccc23)C1 33290473 RUJDPWIUVLNEBH-CYBMUJFWSA-N 336.395 2.895 30 40 EFEB CCn1cc([C@H]2OCC[C@@H]2CNCc2ccc(OC)c(C#N)c2)cn1 78880460 BTQWICPEPKKKFN-BEFAXECRSA-N 340.427 2.651 30 40 EFEB N#Cc1ccc(NC(=O)[C@@H]2CC(=O)N(C3CCCC3)C2)cc1Cl 6882209 CHVVQTXWDYLNFF-GFCCVEGCSA-N 331.803 2.941 30 40 EFEB N#Cc1ccc(NC(=O)CNc2ccc(NC(=O)C3CC3)cc2)cc1 10941949 MJSYZDOPCLZCDP-UHFFFAOYSA-N 334.379 2.957 30 40 EFEB CCCNC(=O)[C@@H](C)NC(=O)c1ccccc1-c1ccccc1C#N 57742677 JAENJNXMFDPCAQ-CQSZACIVSA-N 335.407 2.870 30 40 EFEB C=C[C@@H](C)[C@H](NC(=O)c1ccc(Br)c(F)c1)C(=O)OC 95459597 JMWJMCSEJYFOTP-PELKAZGASA-N 344.180 2.682 30 40 EFEB Cc1ccc(-c2ccc(C#N)cc2)cc1NC(=O)Cn1cccnc1=O 58244785 NJFFKSFLTDELKE-UHFFFAOYSA-N 344.374 2.729 30 40 EFEB CCOC(=O)[C@H](CNC(=O)C1(C#N)CCCC1)Cc1ccccc1 58380840 CHENASNMOCCJMH-INIZCTEOSA-N 328.412 2.609 30 40 EFEB N#Cc1ccc(CCC(=O)N2CCN(Cc3ccsc3)CC2)cc1 29952967 WUSXHGFUNWGGST-UHFFFAOYSA-N 339.464 2.897 30 40 EFEB CC(=O)Nc1ccccc1CN1CCCN(c2ncccc2C#N)CC1 97032617 PNQKDKOXSDRCIO-UHFFFAOYSA-N 349.438 2.624 30 40 EFEB CC(C)[C@@](C)(C#N)NC(=O)Cn1cc(C(F)(F)F)cc(Cl)c1=O 6549418 RJOOWOPOWQSBRE-CYBMUJFWSA-N 349.740 2.575 30 40 EFEB COC(=O)c1cccn2cc(CN(CC#N)Cc3ccccc3)nc12 69740757 VWBLJKUBOXKMRJ-UHFFFAOYSA-N 334.379 2.647 30 40 EFEB Cc1nc(C)c([C@H](C)N(C)C(=O)C(=O)Nc2ccc(C#N)cc2)s1 71883861 ONOJQUVMPQMMCN-NSHDSACASA-N 342.424 2.790 30 40 EFEB Cc1oc(N(C(=O)C(F)(F)F)C(=O)C(F)(F)F)c(C#N)c1C 408732917 BBYQPHMISMDEEC-UHFFFAOYSA-N 328.168 2.752 30 40 EFEB Cc1ccc2c(c1)C(=O)N(CCC(=O)OCc1cccc(C#N)c1)C2=O 25085203 URBQNELMNRRIST-UHFFFAOYSA-N 348.358 2.596 30 40 EFEB C=C(C)COC(=O)[C@H](NC(=O)c1cc(OC)cc(OC)c1)C(C)C 32666461 OWMWJMFHIJPDQP-MRXNPFEDSA-N 335.400 2.578 30 40 EFEB CC(C)(C)n1cc(N[C@H]2CCN(c3sccc3C#N)C2=O)cn1 186257481 QTRMEOFPKOUQOY-ZDUSSCGKSA-N 329.429 2.789 30 40 EFEB N#Cc1nccnc1O[C@@H]1CCCN(C(=O)c2ccc3cc[nH]c3c2)C1 225484611 QYRQXJIBANLCNY-OAHLLOKOSA-N 347.378 2.513 30 40 EFEB C[C@@H](NS(=O)(=O)CC#N)c1ccc(OCc2ccc(F)cc2)cc1 96484879 IHVCORBBSQJCQW-CYBMUJFWSA-N 348.399 2.909 30 40 EFEB N#Cc1ccsc1N1CC[C@@H](N2CCC(OCC3CC3)CC2)C1=O 95409290 XCLNETROZUNWLW-MRXNPFEDSA-N 345.468 2.616 30 40 EFEB Cc1occc1C(=O)N1CSC[C@H]1C(=O)Nc1ccc(C#N)cc1 69350655 NUTSGDPMMLPNOU-HNNXBMFYSA-N 341.392 2.614 30 40 EFEB N#Cc1ccc(NC(=O)CCn2ccccc2=O)c(Br)c1 72280989 IUPIPIJTIPEUKA-UHFFFAOYSA-N 346.184 2.511 30 40 EFEB CC(C)c1noc(CN2CCC[C@@H](COc3cc(C#N)ccn3)C2)n1 1775995896 MKLXCJGEWXLEQJ-OAHLLOKOSA-N 341.415 2.751 30 40 EFEB N#CC1(NC(=O)COc2ccc(-c3nnco3)cc2)CCCCCC1 40490119 BAPTUNSYNJPZHL-UHFFFAOYSA-N 340.383 2.848 30 40 EFEB COC(=O)c1cccc(S(=O)(=O)/N=C(\O)C2CCCCC2)c1 58265312 AJIWMKREBRPBNN-UHFFFAOYSA-N 325.386 2.699 30 40 EFEB N#Cc1cnn(-c2ccc(NC(=O)C3(c4ccccc4)CC3)cc2)c1N 58345299 FALKJBUIJHLDDN-UHFFFAOYSA-N 343.390 2.996 30 40 EFEB COc1cccc([C@H](NC(=O)c2cccc(C#N)c2)c2nccn2C)c1 29090896 QRHZAGOQNXCGLS-SFHVURJKSA-N 346.390 2.820 30 40 EFEB C[C@@H](CC#N)NC(=O)[C@H](Cc1ccccc1)NC(=O)c1cccs1 64345888 GASFCEJXFVDKDU-ZFWWWQNUSA-N 341.436 2.508 30 40 EFEB C=CCOc1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 408618368 KANFWFAXSKLZFT-UHFFFAOYSA-N 334.353 2.960 30 40 EFEB CCN1C[C@H](CN(C)C(=O)c2ccc(C#N)cc2)Oc2ccccc21 7257030 MLXUAHDFJAGFIL-KRWDZBQOSA-N 335.407 2.918 30 40 EFEB N#Cc1ccc(COC(=O)c2ccn(-c3ccccc3N)n2)c(F)c1 71822596 ISYVTGALKREBKX-UHFFFAOYSA-N 336.326 2.822 30 40 EFEB N#Cc1ccc(OC(F)F)c(NC(=O)NCCc2cscn2)c1 95973935 FWMQGQDQNCIYMD-UHFFFAOYSA-N 338.339 2.980 30 40 EFEB N#CCC(=O)N1CCC[C@H]1C(=O)Nc1cc(Cl)cc(Cl)c1 97097075 OAVPBLFLKBTNQZ-LBPRGKRZSA-N 326.183 2.837 30 40 EFEB Cc1nc2c([nH]1)CC[C@@H](C(=O)N1CCC(C#N)(c3ccccc3)CC1)C2 225521368 QRFFXPKQLNOAFH-MRXNPFEDSA-N 348.450 2.907 30 40 EFEB N#Cc1cc(N2CCN(c3cccnn3)CC2)ccc1C(F)(F)F 97379572 HCTVZMYEDILZHM-UHFFFAOYSA-N 333.317 2.694 30 40 EFEB COc1cc(NC(=O)CSC[C@@H]2CCCCO2)c(F)cc1C#N 585125799 FYYQELLRPUGUFT-LBPRGKRZSA-N 338.404 2.947 30 40 EFEB CCCCN1CCOB(c2ccc(Br)c(C)c2)OCC1 209773148 ITXHNZZPLINMBB-UHFFFAOYSA-N 340.070 2.602 30 40 EFEB in-vitro Cc1ccc(C#N)c(NC[C@H](O)c2cc(Cl)c3c(c2)OCCO3)n1 161532208 JKHDHCSRRHDTAF-AWEZNQCLSA-N 345.786 2.832 30 40 EFEB Cc1ccccc1CN(C)Cc1nc2ccccc2c(=O)n1CC#N 10897590 ZTWXVTNMZOZVMO-UHFFFAOYSA-N 332.407 2.861 30 40 EFEB Cc1cc(C)nc(N/N=C2/C(=O)Nc3ccc(Br)cc32)n1 6608047 MAFFAVKEFAOYTQ-UHFFFAOYSA-N 346.188 2.624 30 40 EFEB C#CCNC(=O)C1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 22761269 STSAXSUUOBBCNX-UHFFFAOYSA-N 345.752 2.720 30 40 EFEB N#CC1(C(=O)N2CCC(NC(=O)NC3CCCCC3)CC2)CCCC1 56247616 ZZJBSUKOGQLVIA-UHFFFAOYSA-N 346.475 2.693 30 40 EFEB CCN(CC)c1ccc(/C=N/N2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C2)cc1 104681162 BIPBMNLOIRXGKS-AYRSCHFASA-N 337.423 2.674 30 40 EFEB C=CCCO[C@H](C)C(=O)NCc1ccc(OC[C@H]2CCCO2)cc1 58282436 CGXNKSNLURKCNC-CRAIPNDOSA-N 333.428 2.842 30 40 EFEB C=CCOc1ccc(C=C2C(=O)N(CC)C(=S)N(CC)C2=O)cc1 2178643 TXWRLPITFFVNHM-UHFFFAOYSA-N 344.436 2.630 30 40 EFEB Nc1nc(=O)c2c([nH]1)NC1=C(C(=O)c3ccccc31)[C@@H]2c1ccccc1 4384801 VHTXHRSNMNSQEH-ZDUSSCGKSA-N 342.358 2.517 30 40 EFEB Cc1csc([C@@H](C#N)C(=O)CSc2nnnn2C2CCCC2)n1 8075210 QNOCAIXPRCIJOM-NSHDSACASA-N 348.457 2.522 30 40 EFEB CCN(C[C@H](C)C#N)C(=O)[C@@H](c1ccccc1)N1CCCCC1=O 69369709 GLJCQROUXSDTRS-CRAIPNDOSA-N 327.428 2.748 30 40 EFEB COc1ccc(F)cc1CN1CCCN(c2ncccc2C#N)CC1 71824881 BCQXTKNFHKJVFL-UHFFFAOYSA-N 340.402 2.813 30 40 EFEB CN(Cc1cccc(C#N)c1)C(=O)[C@@H]1CCCCN1Cc1cccnc1 69894352 CDVBPZUOJHAGGZ-FQEVSTJZSA-N 348.450 2.966 30 40 EFEB Cn1cc(/C(O)=N/S(=O)(=O)c2ccsc2)c(-c2ccccc2)n1 89241473 ACLDLJLLIHEMGD-UHFFFAOYSA-N 347.421 2.842 30 40 EFEB Cc1cccc(N2C(=O)NC(=O)[C@H](C=Nc3ccccc3F)C2=O)c1 408528946 XYQXPQSIGWWQMY-ZDUSSCGKSA-N 339.326 2.736 30 40 EFEB CCOC(=O)C1=C(NC(=O)CC)S/C(=C\c2ccc(C)cc2)C1=O 409089218 YUWGIIYGEHKVQK-RAXLEYEMSA-N 345.420 2.953 30 40 EFEB Cc1ccc(NC(=O)C2CC2)cc1NCC(=O)N[C@@](C)(C#N)C1CC1 55849422 ZOBWRWNVUQDIOL-IBGZPJMESA-N 340.427 2.564 30 40 EFEB CN(c1ncc(Cl)cn1)C1CCN(c2ccc(C#N)cn2)CC1 1889083322 TUIJQNVWIRSEAH-UHFFFAOYSA-N 328.807 2.502 30 40 EFEB CCN(CC(F)(F)F)C(=O)[C@H]1CCCN(c2ncccc2C#N)C1 78462732 UXHXRPZRCIMCRR-ZDUSSCGKSA-N 340.349 2.580 30 40 EFEB Cc1sc2ncnc(NCCCc3n[nH]c(N)c3C#N)c2c1C 12506783 WUPJILWMBDIKSC-UHFFFAOYSA-N 327.417 2.530 30 40 EFEB CCCOc1ccc(C(=O)N(CCC#N)CCCN(C)C)cc1OC 58229103 ZVPCRNKNFRITRB-UHFFFAOYSA-N 347.459 2.792 30 40 EFEB N#Cc1ccsc1NC(=O)Cc1ccc(N2CCCC2=O)cc1 12753828 BYWVSONQBNUYOK-UHFFFAOYSA-N 325.393 2.928 30 40 EFEB CC(C)c1ocnc1/C(O)=N/S(=O)(=O)N1CCCCCCC1 95395384 GKPVKTGRSZVYAC-UHFFFAOYSA-N 329.422 2.614 30 40 EFEB CC(C)(C)n1cc(/C=C/C(=O)c2cccc(OCC(=O)O)c2)cn1 65593521 LHYFXHITERIIDE-BQYQJAHWSA-N 328.368 2.998 30 40 EFEB CS(=O)(=O)Nc1ccc(C(=O)/C=C/c2cccc3c2OCO3)cc1 65566493 RHNSRLZVLPBUFO-JXMROGBWSA-N 345.376 2.683 30 40 EFEB O=C(C#Cc1ccc2c(c1)OCO2)N1CCC(C(F)(F)F)CC1 95417002 JPZJUYWXGGRRMT-UHFFFAOYSA-N 325.286 2.568 30 40 EFEB Cc1nn(CC(=O)C23CC4CC(CC(C4)C2)C3)c(=O)c(C#N)c1C 7441842 CTSJDNQRCRPDLF-UHFFFAOYSA-N 325.412 2.517 30 40 EFEB N#Cc1ccc(Cl)cc1N1CCCN(C(=O)c2ccncc2)CC1 71914499 RYJRXKCSMPZBEQ-UHFFFAOYSA-N 340.814 2.959 30 40 EFEB N#Cc1cccc(C(=O)N2C[C@@H](O)C[C@H]2c2cc(F)ccc2F)c1 91761815 CNVIPCYSVQMXCG-YOEHRIQHSA-N 328.318 2.785 30 40 EFEB CC[C@@H](NCc1ccc(F)c(C#N)c1)c1cccc(S(N)(=O)=O)c1 97084085 QZOVBZMMUNZMNN-QGZVFWFLSA-N 347.415 2.586 30 40 EFEB Cc1ccn(CC(=O)Nc2ccccc2C(F)(F)F)c(=O)c1C#N 97114938 IQYWHSJTKLXOOM-UHFFFAOYSA-N 335.285 2.686 30 40 EFEB CCN(C[C@@H](C)C#N)c1ccc(C(=O)c2nccn2C)cc1[N+](=O)[O-] 75105828 VQVRRKILZJIOEN-LBPRGKRZSA-N 341.371 2.545 30 40 EFEB N#CCCN(C(=O)c1ccc2c(c1)[nH]c(=O)n2C1CCCC1)C1CC1 89800342 WQBQRMFLQCRKKZ-UHFFFAOYSA-N 338.411 2.963 30 40 EFEB N#Cc1ccc(C(=O)Nc2ccc(CCN3CCC(O)CC3)cc2)cc1 75415381 IYTLZRKOIVULOX-UHFFFAOYSA-N 349.434 2.810 30 40 EFEB O=C(NCC#Cc1cccc(C(F)(F)F)c1)N[C@H]1C[C@H]2CC[C@H]1O2 110681137 UDRPFEBSLQXGAG-QLFBSQMISA-N 338.329 2.676 30 40 EFEB COc1ccccc1OCCN1C(=O)/C(=N\O)c2c(Cl)cccc21 46085219 PZYQIOKCHMZOSN-MNDPQUGUSA-N 346.770 2.953 30 40 EFEB CN(C)c1cccc(C(=O)NCC#CCN2CCc3ccccc3C2)c1 75165040 BXMYRTBGNABLOA-UHFFFAOYSA-N 347.462 2.544 30 40 EFEB N#Cc1cccc(C(=O)N2CCNC(=O)[C@@H]2c2ccccc2Cl)c1 62689420 WVZOEPIOFRAXMW-INIZCTEOSA-N 339.782 2.525 30 40 EFEB Cc1cc(C)c(C#N)c(N2CCC(CN3CCCCC3=O)CC2)n1 192731293 KFVZYHPCYHVDLV-UHFFFAOYSA-N 326.444 2.799 30 40 EFEB CN1CCN(C[C@@H]2CCCN(c3c(Cl)cccc3C#N)C2)CC1 95403190 MKLNFFYXIZBCRV-HNNXBMFYSA-N 332.879 2.675 30 40 EFEB COC(=O)CN(CC(=O)[C@H](C#N)c1ccccc1)c1ccc(C)cc1 5447415 CAQVWSJJBKUBJK-GOSISDBHSA-N 336.391 2.851 30 40 EFEB C=CCN1C(=O)c2ccc(C(=O)N(C)Cc3ccc(C)o3)cc2C1=O 12911018 CNUHFCOIVQBECV-UHFFFAOYSA-N 338.363 2.642 30 40 EFEB C=CCn1c(S[C@H](C)C(=O)OC)nc2c(oc3ccccc32)c1=O 12959497 RNCWSCQVHWEBLN-SNVBAGLBSA-N 344.392 2.982 30 40 EFEB C=CCOc1ccc(/C=C2/SC(=O)N(CN(C)C)C2=O)cc1OC 20265992 MHXCWTVNIZLTFJ-XNTDXEJSSA-N 348.424 2.815 30 40 EFEB CC(C)Cc1nc(NCCN2CCOCC2)c(C#N)c2c1CCCC2 20588581 INQYZFKWVRJLBQ-UHFFFAOYSA-N 342.487 2.775 30 40 EFEB CNC(=O)[C@H](C#N)C(=O)Cn1c(C2CCCCC2)nc2ccccc21 101843654 OCWWUGAVNVJYKE-CQSZACIVSA-N 338.411 2.539 30 40 EFEB N#CCCSc1nnc(CN2CCCC2)n1Cc1ccccc1 22702413 BGYYDNMAKSOYIE-UHFFFAOYSA-N 327.457 2.928 30 40 EFEB Cc1nc(C)c(C#N)c(SCC(=O)N(C)Cc2ccsc2)n1 25044963 AREGOJMPZNVHNE-UHFFFAOYSA-N 332.454 2.777 30 40 EFEB CN(CCC#N)C(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)c1ccccc1 58432033 RASCISHUOAQCBL-BZSNNMDCSA-N 339.439 2.832 30 40 EFEB Cc1nn(-c2ccccc2)c(O)c1/C=N/CCNC(=O)c1ccccc1 6129915 ZYEKXQHGUSHQBI-KGENOOAVSA-N 348.406 2.735 30 40 EFEB C=CCSc1ncc(Cl)c(C(=O)Nc2nnc(C)s2)n1 9206531 WXVFIJIBNUGIEM-UHFFFAOYSA-N 327.822 2.820 30 40 EFEB C=CCNC(=O)[C@H](C)OC(=O)Cc1coc2cc3c(cc12)CCC3 16822655 DKDTYUULEJTFAC-LBPRGKRZSA-N 327.380 2.698 30 40 EFEB COc1cc(OC)c(CCNC(=O)C2(C#N)CCCCC2)c(OC)c1 71888108 ZSAJJXNALOOZSA-UHFFFAOYSA-N 346.427 2.845 30 40 EFEB N#Cc1ccc(NCC(=O)N2CCC[C@@H]2C(=O)Nc2ccccc2)cc1 69657162 REYLWGPPSFXBJF-GOSISDBHSA-N 348.406 2.600 30 40 EFEB Cc1nc([C@H]2CN(Cc3ccccc3C(C)(C)C#N)CCO2)no1 95970870 XUGCCDVWJBSFMF-MRXNPFEDSA-N 326.400 2.753 30 40 EFEB CCNC(=S)N/N=C/c1cc(Cl)cc(Br)c1O 409373084 QSIMGAIBHQUHJS-LHHJGKSTSA-N 336.642 2.626 30 40 EFEB Cc1cc(=O)oc2cc(OCC(=O)N[C@](C)(C#N)C(C)C)ccc12 6421347 DCHKBKMZPMPUKW-GOSISDBHSA-N 328.368 2.535 30 40 EFEB N#Cc1ccc(OC[C@H](O)COc2ccc(-n3cccn3)cc2)cc1 95439111 CLKWUSBBLBGFMF-KRWDZBQOSA-N 335.363 2.563 30 40 EFEB C=CCOC[C@@]12CCCO[C@H]1CCN(C(=O)c1cc(C)[nH]c1C)C2 96039739 YOGJNZGAJJGADJ-HKUYNNGSSA-N 332.444 2.845 30 40 EFEB CN1CC[C@@H](NC(=O)c2ccc(C#N)cn2)[C@@H]1c1ccc(Cl)cc1 90002291 PIUVJWGREBGLGN-WBVHZDCISA-N 340.814 2.782 30 40 EFEB Cn1cc(-c2nc(C(=O)[C@H](C#N)c3nc4ccccc4[nH]3)cs2)cn1 48813642 IEABOJSNYPYODP-NSHDSACASA-N 348.391 2.910 30 40 EFEB COc1ccc(C(=O)COC(=O)[C@@H](C)Oc2ccc(C#N)cc2)cc1 6466689 ICMYHJZOUFBVKC-CYBMUJFWSA-N 339.347 2.760 30 40 EFEB Cc1nc(C)c(F)c(OCC2CCN(c3ccc(C#N)nc3)CC2)n1 1888866696 LXHJQJRYMKNBCQ-UHFFFAOYSA-N 341.390 2.795 30 40 EFEB COC(=O)C1=C(N)OC2=C(C(=O)CCC2)[C@H]1c1ccc(SC)cc1 203810 POTAMNZUZHQJKD-CQSZACIVSA-N 345.420 2.873 30 40 EFEB CCCC#C[C@](O)(C(=O)O[C@H]1CN2CCC1CC2)C1CCCCC1 1640763 CZSCWCOOWBSDAG-AZUAARDMSA-N 333.472 2.739 30 40 EFEB C=CCc1ccccc1OC[C@H](O)Cn1ncc2ccccc2c1=O 42756147 HHHOEZHKAOCRQB-QGZVFWFLSA-N 336.391 2.565 30 40 EFEB N#Cc1ccc(S(=O)(=O)Nc2ccc3c[nH]nc3c2)c(Cl)c1 97053728 ZGVPPUIPZRIQCM-UHFFFAOYSA-N 332.772 2.889 30 40 EFEB C=CCOC[C@@H]1CC[C@H]2[C@@H]1OCCN2C(=O)c1ccc(N(C)C)cc1 107803865 FYAASBBEWCZAIR-YTQUADARSA-N 344.455 2.575 30 40 EFEB C=CC[C@]1(C(=O)OC)C(=O)C[C@H]2CC[C@H]1N2Cc1cccc(OC)c1 100186411 CGIDQQOEELFCCF-WRWLIDTKSA-N 343.423 2.737 30 40 EFEB CC(C)[C@](C)(C#N)NC(=O)COc1cc2ccccc2cc1C(=O)O 13049962 KEPBQKLPNNPBLI-IBGZPJMESA-N 340.379 2.971 30 40 EFEB CNC(=O)c1cn(CCC#N)nc1-c1cccc(Br)c1 65492165 YBGWAPXYHUDQSC-UHFFFAOYSA-N 333.189 2.586 30 40 EFEB N#Cc1ccc(OCC(=O)NC(=O)NCCC2=CCCCC2)cc1 6879777 IJBSZNOTNDJEBY-UHFFFAOYSA-N 327.384 2.653 30 40 EFEB C[C@H](Sc1nnc(N)s1)C(=O)N(CCC#N)c1ccccc1 7535837 LBLMYVITPPIEBV-JTQLQIEISA-N 333.442 2.548 30 40 EFEB C=CCSc1nnc(Cc2cccc(Br)c2)c(=O)[nH]1 19897644 PPSKXXKVXYFAGG-UHFFFAOYSA-N 338.230 2.796 30 40 EFEB N#C[C@@H](Sc1nnc(C2CC2)n1CCC(N)=O)C1CCCCC1 71908681 QVJCGEWTXIIJDO-CYBMUJFWSA-N 333.461 2.595 30 40 EFEB C[C@@H]1O[C@H](C)[C@@H](C(=O)NC2(c3cccc(C#N)c3)CCOCC2)[C@H]1C 529517112 GXPNNHMZQHUNDJ-AFIMGQEJSA-N 342.439 2.740 30 40 EFEB CCN1CCN(C[C@H](C)CNc2c(C#N)cnc3ccccc23)CC1 189442324 VQMLCSVQLMNHQX-MRXNPFEDSA-N 337.471 2.792 30 40 EFEB CN(CCC(=O)Nc1ccccc1C#N)Cc1nccn1C(F)F 72765361 JJMCESZAAZYWKI-UHFFFAOYSA-N 333.342 2.610 30 40 EFEB N#Cc1ccnc(N2CCN(c3ccnc4cc(F)ccc34)CC2)c1 79096580 FKNRTAJKUDJYMB-UHFFFAOYSA-N 333.370 2.967 30 40 EFEB COc1ccc(COc2nn(Cc3ccccc3)c(N)c2C#N)cc1 225839091 YPIIEWFLUPFFLK-UHFFFAOYSA-N 334.379 2.973 30 40 EFEB CC(C)CCS(=O)(=O)/N=C(\O)c1cnn(C)c1-c1ccccc1 96491212 ANQQLQBCWJBSLD-UHFFFAOYSA-N 335.429 2.768 30 40 EFEB O/C(Cc1cc(F)c(F)cc1F)=N\c1nc([C@H]2CCCO2)n[nH]1 95473575 MUNHJVAOSRXPHR-LLVKDONJSA-N 326.278 2.904 30 40 EFEB Cc1ncsc1C(=O)N1CCC[C@H](COc2cc(C#N)ccn2)C1 1775996062 SQGBLMIQNCGCOU-AWEZNQCLSA-N 342.424 2.649 30 40 EFEB C=CCn1c(SCC(=O)N[C@@H](C)CC)nc2ccsc2c1=O 9690771 FDJKKNQIOMHLKA-JTQLQIEISA-N 337.470 2.651 30 40 EFEB C[C@@H](CC(=O)N1CCN([C@@H](C#N)c2ccccc2)CC1)c1ccncc1 97379014 GHSKRBYYJXXIQG-PXNSSMCTSA-N 348.450 2.984 30 40 EFEB C=CCn1c(S[C@@H](C(=O)NC(N)=O)C(C)C)nc2ccccc21 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ONPXNBAETIIPDJ-AYBZRNKSSA-N 329.444 2.503 30 40 EFEB CC(C)=NO[C@]1(c2ccccc2)OC(=N)[C@@]2(C#N)C(C#N)(C#N)[C@@]12C 35323554 AZSRYZCKCCBBQT-NXHRZFHOSA-N 333.351 2.823 30 40 EFEB Cc1ccc(S(=O)(=O)[C@H]2[C@@H](c3cccc(Cl)c3)[C@@]2(N)C#N)cc1 218429264 ZCRDMPIUWDAAEE-IKGGRYGDSA-N 346.839 2.809 30 40 EFEB C[C@H](NC(=O)N1CC[C@H](Oc2cccnc2)C1)c1cccc(C#N)c1 96474871 BDIHTJJQEQYFBE-KSSFIOAISA-N 336.395 2.877 30 40 EFEB Cc1noc(-c2ccccc2C(=O)NCc2cccc(OCC#N)c2)n1 96425173 WNXLUQUAZORVJQ-UHFFFAOYSA-N 348.362 2.877 30 40 EFEB O=[N+]([O-])c1ccc(O)c(/C=N/c2ccc(N3CCOCC3)cc2)c1 5227426 MXWNYASEBQTDSK-LDADJPATSA-N 327.340 2.888 30 40 EFEB C[C@]1(c2cc(F)ccc2F)NC(=O)N(Cc2ccccc2C#N)C1=O 7007095 YIEPOGXGVSVVFV-GOSISDBHSA-N 341.317 2.804 30 40 EFEB CCOC(=O)c1ccccc1N/C=C1\C(=O)Oc2ccccc2C1=O 100642434 ACHXYOBWPUEHKX-KAMYIIQDSA-N 337.331 2.961 30 40 EFEB CCNC(=O)c1cccc(C)c1OCC(=O)Nc1cccc(C#N)c1 40556353 HKHUHHTXXVZOOW-UHFFFAOYSA-N 337.379 2.634 30 40 EFEB C[C@H](C1CC1)N(C(=O)Cn1ncnc1-c1cccc(C#N)c1)C1CC1 79013535 CUEPHJLDDPOBKC-CYBMUJFWSA-N 335.411 2.606 30 40 EFEB C#C[C@H]1C[C@@H]2CC(=O)[C@H]3[C@@H]4CCC(=O)[C@@]4(C)CC[C@@H]3[C@@]2(C)C[C@H]1O 118915159 RMHPKQZBZCPFIM-ONOOULAQSA-N 328.452 2.997 30 40 EFEB CC(C)/N=C(/NCc1cccnc1N1CCOCC1)c1cccs1 57991470 CGRJVDMKIUEVBN-UHFFFAOYSA-N 344.484 2.925 30 40 EFEB Cc1cc(N2CCN(C)CC2)ccc1NC(=O)c1cccc(C#N)c1 29369433 XLAYEPPDCBDQEC-UHFFFAOYSA-N 334.423 2.871 30 40 EFEB CC(C)(C)OC(=O)NC1CCN(c2ccc([N+](=O)[O-])cc2C#N)CC1 48312631 YBTTUMGFURMWDM-UHFFFAOYSA-N 346.387 2.960 30 40 EFEB CCOC(=O)CCCOc1nc(C)c2c(c1C#N)CC(C)(C)OC2 13733151 FCWKXQPXFNMKPG-UHFFFAOYSA-N 332.400 2.835 30 40 EFEB C=CCN1CC[C@]2(CN(Cc3ccoc3)C[C@H]2c2nccs2)C1=O 306132766 LRSGBZSQQHJPOP-MAUKXSAKSA-N 343.452 2.740 30 40 EFEB N#Cc1ccccc1/C=C/C(=O)N1CCN(Cc2ccccc2)CC1 14241150 BFGKSXOIFHEUSI-ZHACJKMWSA-N 331.419 2.916 30 40 EFEB Cc1cc(-c2nnc(S)n2/N=C/c2c(F)cccc2Cl)[nH]n1 6786012 NYQIURRGFKPLNV-OMCISZLKSA-N 336.783 2.940 30 40 EFEB C=CCOc1cccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)c1 9356441 ZKIPZBGAFPLZRH-UHFFFAOYSA-N 334.353 2.960 30 40 EFEB COc1ccccc1-c1nn(C)cc1C(=O)NCc1cccc(C#N)c1 96418221 BPGJKVUCOHAMGU-UHFFFAOYSA-N 346.390 2.897 30 40 EFEB CN(C)C(=O)CNC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1 69203102 JJZKLRLRWQKEEK-UHFFFAOYSA-N 338.367 2.560 30 40 EFEB N#Cc1ccc(Cl)cc1N1CCN(c2ccc(C(N)=O)cc2)CC1 71914525 CSWICPLJZKQDDC-UHFFFAOYSA-N 340.814 2.637 30 40 EFEB COCCCN/C(=N/[C@@H](C)c1cccs1)NC[C@H]1CCCO1 75583298 YEQCYIFEBBUQKB-UONOGXRCSA-N 325.478 2.560 30 40 EFEB Cc1cc(C(F)(F)F)c(C#N)c(S[C@@H](C)c2nnnn2C)n1 188833894 AQHUYIYGYMGHQC-ZETCQYMHSA-N 328.323 2.657 30 40 EFEB O=C(O)C[C@H](S/C(=N\[C@H]1CC=CCC1)N1CCCCC1)C(=O)O 34798407 CAESNQJXRTYTJX-DCFQSUQFSA-N 340.445 2.598 30 40 EFEB CCOc1cc(/C=C/C(=O)N(CCC#N)CCC#N)ccc1OC 48262664 OGNARYNOQWPJPU-VQHVLOKHSA-N 327.384 2.763 30 40 EFEB Cc1nnc(NCCc2cc(F)cc3c2OCOC3)c(C#N)c1C 48363029 CQMDSDNUAKSABM-UHFFFAOYSA-N 328.347 2.625 30 40 EFEB Cc1c(/N=C2\C(=O)N(C)c3ccccc32)c(=O)n(-c2ccccc2)n1C 4160014 AFKDEYHXHQMTGP-UZYVYHOESA-N 346.390 2.582 30 40 EFEB N#Cc1ccc(C(=O)N2CC[C@@H](COc3ccc(C4CC4)nn3)C2)cc1 1888865779 XUJBDMAXOFJXMH-OAHLLOKOSA-N 348.406 2.767 30 40 EFEB Cc1oc(NC(=O)CN(C)Cc2ccc3c(c2)OCO3)c(C#N)c1C 40481519 IKJCSULEQIUZTD-UHFFFAOYSA-N 341.367 2.567 30 40 EFEB Cc1ccc(Nc2ccccc2C(=O)OCC(=O)NCCC#N)cc1 25047544 DHFFNRDRUQJCTL-UHFFFAOYSA-N 337.379 2.925 30 40 EFEB CC(=O)c1ccc(N2CCN(C(=O)c3ccc(C#N)cc3)CC2)cc1 3285123 JKUSVNQWXYRHEX-UHFFFAOYSA-N 333.391 2.723 30 40 EFEB N#Cc1ccc(C(F)(F)F)c(NCC2CCS(=O)(=O)CC2)c1 97163639 ZQJLYLQTELKIMP-UHFFFAOYSA-N 332.347 2.814 30 40 EFEB CC/N=C1\S[C@@H](CC(=O)Nc2ccc(OCC)cc2)C(=O)N1CC 12600547 SKECBXQERBMIIX-DNZUHHBVSA-N 349.456 2.754 30 40 EFEB COc1ccc(/C(O)=N/S(=O)(=O)c2cccc(C(C)=O)c2)cc1 45097775 MKPNNKJKVOUCAE-UHFFFAOYSA-N 333.365 2.591 30 40 EFEB Cc1nn(-c2ccc(F)cc2F)c2c1-c1[nH]c(=O)c(C#N)cc1CC2 4632333 JNFFNXVKJRRJCQ-UHFFFAOYSA-N 338.317 2.785 30 40 EFEB C=CCNc1nnc(SCC(=O)NCc2ccccc2F)s1 7399605 NDHKMWZRTZXWAY-UHFFFAOYSA-N 338.433 2.684 30 40 EFEB CCCN(CCc1ccccn1)S(=O)(=O)Cc1cccc(C#N)c1 69739977 AVPVJOWNFXTTPW-UHFFFAOYSA-N 343.452 2.738 30 40 EFEB C#CCn1cc(CN(C)C(=O)c2c(C)noc2-c2ccccc2)cn1 97108251 UHXDJVZLGWXASL-UHFFFAOYSA-N 334.379 2.752 30 40 EFEB N#Cc1ccc(C(F)(F)F)nc1NCCNC(=O)C1CCCC1 75139771 UYDIJHNZJRGXJW-UHFFFAOYSA-N 326.322 2.690 30 40 EFEB Cc1cc(C)c2ncc(C#N)c(NC[C@](C)(O)c3cnn(C)c3)c2c1 78303227 SYUHOTZOBBQXIK-IBGZPJMESA-N 335.411 2.776 30 40 EFEB CC1CCN(C(=O)[C@H](C)N2CCC(c3ccc(C#N)cn3)CC2)CC1 600840215 AIZMVIWVXIWHBW-INIZCTEOSA-N 340.471 2.780 30 40 EFEB CCN(C(=O)c1ccc(C#N)c(C)n1)[C@@H]1CCN(c2ccccc2)C1=O 69666770 JQWHFKYXTFLUSS-GOSISDBHSA-N 348.406 2.529 30 40 EFEB COC(=O)c1ccc(N/N=C2\C(=O)N(c3ccccc3)N=C2C)cc1 5730133 MLNISTAZHGNDAK-SILNSSARSA-N 336.351 2.664 30 40 EFEB CCOC(=O)CC/C(=N\Nc1cc(Cl)ccc1N)C(=O)OCC 16682786 ICCXWYSHHXZWKI-LDADJPATSA-N 341.795 2.597 30 40 EFEB CCOC(=O)Nc1ccc2c(c1)/C(=N/NC(N)=S)c1ccccc1-2 5575184 BSEFXBZJKBHWQM-HMMYKYKNSA-N 340.408 2.821 30 40 EFEB COc1ccccc1[C@@H](C)N(C)S(=O)(=O)c1ccccc1C#N 30524263 XIUPWEIQBDLQNG-CYBMUJFWSA-N 330.409 2.949 30 40 EFEB N#Cc1ccc(OCC(=O)NC(=O)NCc2ccccc2)c(Cl)c1 18963543 XRCRDXKGXBLARK-UHFFFAOYSA-N 343.770 2.616 30 40 EFEB O=C(c1ccc(Br)cc1)[C@H]1O[C@@]12C(=O)Nc1ccccc12 1616783 UCKFKFBLVZYYNZ-GDBMZVCRSA-N 344.164 2.878 30 40 EFEB Cc1cccc2c1N=C(O)/C2=N\Nc1ccc(S(C)(=O)=O)cc1 47437491 DYCJFEUSGCEOKG-UHFFFAOYSA-N 329.381 2.816 30 40 EFEB CC(C)(C)C(=O)N1CCC[C@H](C(=O)[C@@H](C#N)C(=O)c2ccccc2)C1 102765879 ZBLUBGKVVIRIQQ-HOTGVXAUSA-N 340.423 2.863 30 40 EFEB C/C(=C\C(=O)c1c(O)c2ccccc2n(C)c1=O)Nc1cccnc1 101153860 AXBFYGNDTSDHEG-ZRDIBKRKSA-N 335.363 2.838 30 40 EFEB C[C@@H](NS(=O)(=O)N(C)CCC#N)c1ccc(Cl)cc1Cl 12946007 MRANNZWLXXKQMZ-SECBINFHSA-N 336.244 2.734 30 40 EFEB CCc1nc(SCC(=O)c2ccc(C)c(C)c2)[nH]c(=O)c1C#N 5238987 RMDGFLQEWWTNIL-UHFFFAOYSA-N 327.409 2.796 30 40 EFEB C#CCOc1ccc(N(C)C(=O)c2ccc(-n3cncn3)cc2C)cc1 84089952 OIKXEEVOLRUBOM-UHFFFAOYSA-N 346.390 2.864 30 40 EFEB C[C@@H](OC(=O)c1sccc1-n1cnnn1)c1cccc(C#N)c1 95450018 QBURWIKPPVWZRL-SNVBAGLBSA-N 325.353 2.513 30 40 EFEB N#Cc1ccc(F)c(CNC(=O)NCc2cccc(-n3cccn3)c2)c1 76087696 PJUZAQLKFBSRMV-UHFFFAOYSA-N 349.369 2.882 30 40 EFEB CN(c1cccc(C#N)c1)[C@H]1CCN(C(=O)CCc2ccncc2)C1 585130644 XIGMHRNVGDAYFO-IBGZPJMESA-N 334.423 2.623 30 40 EFEB COCc1cc(/C(O)=N/S(=O)(=O)c2sc(C)nc2C)c(C)o1 83150915 WJWXVEUTNODUCA-UHFFFAOYSA-N 344.414 2.501 30 40 EFEB Cc1cccc(NC(=O)[C@H](C#N)C(=O)c2ccc3c(c2)ncn3C)c1 101989269 ORPGKZOHTIBDOP-OAHLLOKOSA-N 332.363 2.843 30 40 EFEB C=C(C)CN(CC)C(=O)C(=O)Nc1cnn(-c2ccccc2)c1C 154735088 VPHJVFZAAZUUQM-UHFFFAOYSA-N 326.400 2.544 30 40 EFEB COc1ccc(OCCSCC(=O)N[C@@](C)(C#N)C(C)C)cc1 50250031 SHWBHDZMTKLHQX-KRWDZBQOSA-N 336.457 2.862 30 40 EFEB CSc1nc(N2CCOCC2)c2c(c1C#N)C[C@@H](C(C)C)OC2 20190799 LCVOALAXYDXRJH-HNNXBMFYSA-N 333.457 2.609 30 40 EFEB CCOc1ccc([C@H]2C(C(C)=O)=C(C)Nc3ncnn32)cc1OCC 147766 NESGDRJIRJTQJI-KRWDZBQOSA-N 342.399 2.953 30 40 EFEB CN(Cc1ccc([S@@](C)=O)cc1)c1ccc(C#N)cc1[N+](=O)[O-] 79017386 RCYMYZYOXWFCES-QHCPKHFHSA-N 329.381 2.840 30 40 EFEB COCCn1c(C)cc(C(=O)COC(=O)c2cccc(C#N)c2)c1C 3510215 SFWKTAUDXQPHCK-UHFFFAOYSA-N 340.379 2.663 30 40 EFEB CC(=O)/C(=C\N1CCCCC1)c1nnnn1-c1ccc(Cl)cc1 4697545 SRAMWUNRJNSTAO-RVDMUPIBSA-N 331.807 2.732 30 40 EFEB N#Cc1c(N2C(=O)[C@H]3[C@@H]4CC[C@H](O4)[C@@H]3C2=O)sc2c1CCCCC2 101027957 VRJFXZRIQGZEKB-JURCDPSOSA-N 342.420 2.555 30 40 EFEB N#Cc1ccc(F)c(CNC(=O)Nc2nc3c(s2)COCC3)c1 76070509 UXYSUGWFPKHGJQ-UHFFFAOYSA-N 332.360 2.548 30 40 EFEB N#Cc1ccccc1OCC(=O)NCc1ccc(OC(F)F)cc1 19601198 VBHDOIRVXHJJIU-UHFFFAOYSA-N 332.306 2.855 30 40 EFEB Cc1noc(C)c1CCC(=O)O[C@@H](C)C(=O)Nc1ccccc1C#N 7146993 OIYWQBHAEPZART-ZDUSSCGKSA-N 341.367 2.666 30 40 EFEB CN(Cc1nccn1CC(F)(F)F)c1ccc([N+](=O)[O-])c(C#N)c1 97144775 FENNSPHPCKDKFY-UHFFFAOYSA-N 339.277 2.862 30 40 EFEB C=CCc1cc(C=C(C(=O)OC)C(=O)OC)cc(OC)c1OCC 409070471 YCQGTKWGCXUURO-UHFFFAOYSA-N 334.368 2.552 30 40 EFEB COc1ccc(-c2c(C)nn3c(N)c(C#N)c(SC)nc23)cc1 215882012 TUNQSBJWMHAOAU-UHFFFAOYSA-N 325.397 2.889 30 40 EFEB Cc1nc(CN2CCC(C/N=C(\N)N3CCCCCC3)CC2)oc1C 195539991 YBCHCCAKJWUFSS-UHFFFAOYSA-N 347.507 2.694 30 40 EFEB O=C(NC[C@@H]1CCC[C@@H]1O)Nc1cccc(C#Cc2ccccn2)c1 96434832 OJOCFUYGCZBMLB-LPHOPBHVSA-N 335.407 2.764 30 40 EFEB COC[C@@H]1CN(Cc2ccc(Cl)cc2C#N)C[C@H]1c1cnn(C)c1 585655547 QUXOJCGUVWNQEM-WMZOPIPTSA-N 344.846 2.807 30 40 EFEB Cc1cccc(-n2nc(C#N)c(N3CCN(c4ccccc4)CC3)n2)c1 256048232 RQQMANMEGAETNI-UHFFFAOYSA-N 344.422 2.774 30 40 EFEB N#Cc1ccc(N2CCC(Oc3nccc(C(F)(F)F)n3)CC2)nc1 1776008298 CCUWRIBESWFWDK-UHFFFAOYSA-N 349.316 2.810 30 40 EFEB C=C[C@H](C)[C@H](NC(=O)c1ccc(Br)c(F)c1)C(=O)OC 95459596 JMWJMCSEJYFOTP-UFBFGSQYSA-N 344.180 2.682 30 40 EFEB Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)NCc1cc2ccccc2o1 75117692 POEWEJDUSDFXHM-UHFFFAOYSA-N 349.390 2.859 30 40 EFEB COc1ccc2c(c1)CCC[C@@]2(O)CNC(=O)c1cccc(C#N)c1 218006166 XDOKSZGRGQIOIM-HXUWFJFHSA-N 336.391 2.521 30 40 EFEB COC(=O)N(C)CC(=O)[C@H](C#N)c1nc(-c2ccc(C)cc2)cs1 58281846 AKFNNNYUHIIBFH-ZDUSSCGKSA-N 343.408 2.993 30 40 EFEB CCc1nc(C#N)c(NC[C@H](c2cccs2)N2CCOCC2)o1 27794078 ZKJWMCBFIKAOPF-CYBMUJFWSA-N 332.429 2.656 30 40 EFEB CCOc1cc(C#N)ccc1OCC(=O)N1CCO[C@@H]2CCCC[C@@H]21 46494666 JNSDCFOOAMODET-JKSUJKDBSA-N 344.411 2.506 30 40 EFEB N#C[C@H]1C(=O)N=C2Nc3ccccc3N2[C@@H]1c1ccc([N+](=O)[O-])cc1 20637444 RFWWCRPFAIBCCN-IUODEOHRSA-N 333.307 2.604 30 40 EFEB C[C@@H](Sc1nnc(N)s1)C(=O)N(CCC#N)c1ccccc1 7535839 LBLMYVITPPIEBV-SNVBAGLBSA-N 333.442 2.548 30 40 EFEB CCOC(=O)c1cccc(NS(=O)(=O)c2ccc(C#N)cc2)c1 7709565 USBTWSNRXOZTTQ-UHFFFAOYSA-N 330.365 2.536 30 40 EFEB N#Cc1cccc(CNC(=O)[C@@H]2CCCN2C(=O)Nc2ccccc2)c1 69812190 ZFVOUCSELYFBBK-SFHVURJKSA-N 348.406 2.871 30 40 EFEB C=CCc1cc(/C=N/Nc2ncccc2[N+](=O)[O-])cc(OC)c1O 409066159 LYHWHOYKEXLLBN-VCHYOVAHSA-N 328.328 2.879 30 40 EFEB CC(C)[C@](C)(C#N)NC(=O)CSc1ccc2c(c1)OCCCO2 6436787 XDIPDKNXKNIPPR-KRWDZBQOSA-N 334.441 2.994 30 40 EFEB C=CCN(CC=C)C(=O)[C@@H]1CCC(=O)N(C)[C@@H]1c1ccc(OC)cc1 72242086 QQNODDIMAMUDNZ-IEBWSBKVSA-N 342.439 2.805 30 40 EFEB N#Cc1cc(NC[C@@H]2CCN(c3ccccc3)C2)cc(N)c1[N+](=O)[O-] 330031794 DJIMJLQWMSSAIA-ZDUSSCGKSA-N 337.383 2.987 30 40 EFEB C[C@@H](Nc1cnn(CC(F)(F)F)c1)C(=O)Nc1ccccc1C#N 97102899 CSANDSIOIAOZAM-SNVBAGLBSA-N 337.305 2.756 30 40 EFEB C/N=C(/NCCC1=CCOCC1)N[C@@H]1C[C@H](C)N(c2ccccc2)C1 96484223 KNSNUABLUXWLPB-FUHWJXTLSA-N 342.487 2.556 30 40 EFEB Cc1ccccc1C[C@H](C)C(=O)N[C@@H]1CCN(c2ccncc2C#N)C1 1096387838 BXCBYDWGOAECRJ-QFBILLFUSA-N 348.450 2.835 30 40 EFEB N#Cc1ccc([C@H](N[C@@H](C[C@@H]2CCOC2)c2ccccc2)C(N)=O)cc1 390835239 HJUWSOVARRICAS-VDGAXYAQSA-N 349.434 2.842 30 40 EFEB N#Cc1cccc(C(=O)NCC2CCN([C@@H]3CCSC3)CC2)c1 225567485 HIQMOYMSYGRIGP-QGZVFWFLSA-N 329.469 2.506 30 40 EFEB Cc1cc(N2C(=O)C(=O)/C(=C(/O)c3ccco3)[C@@H]2c2ccco2)no1 102564199 DWYUAADGYNHHBW-MRPLLJTBSA-N 340.291 2.795 30 40 EFEB N#C[C@H](C(=O)c1ccc2[nH]c3c(c2c1)CCCC3)C(=O)N1CCCC1 103502741 MFDTUJYGXOJWLA-MRXNPFEDSA-N 335.407 2.992 30 40 EFEB CCOC(=O)[C@H](C)N1C(=O)S/C(=C\c2ccc(C#N)cc2)C1=O 981073 ALJFHALVNUNMHY-AAIQCTMTSA-N 330.365 2.546 30 40 EFEB C[C@@H](NC(=O)COC(=O)c1ccc(C#N)cc1F)c1ccccc1 8265952 YLVCAYCRDXDLTD-GFCCVEGCSA-N 326.327 2.732 30 40 EFEB CCN1/C(=N/Cc2cccnc2)SC[C@@]1(O)c1ccc(F)cc1 1439714 OOZBQXRGOAEIPU-XUMLYMLNSA-N 331.416 2.991 30 40 EFEB N#Cc1ccc(N2CCC(NC(=O)C3CCOCC3)CC2)cc1Cl 95394825 RLAQHLLNHAFUCM-UHFFFAOYSA-N 347.846 2.723 30 40 EFEB Cc1ccc(S(=O)(=O)N/N=C/C2=Cc3ccccc3OC2)cc1 5557199 JPZLVZNBMIOZFK-WOJGMQOQSA-N 328.393 2.735 30 40 EFEB CNC(=O)N(O)[C@@H]1N(/N=C/c2cccs2)C(=S)SC1(C)C 4795150 BJUPOYYZMDEACS-DUJAKZANSA-N 344.487 2.551 30 40 EFEB CC[C@H](C)CN(C)C(=O)NC1CCN(c2ccc(C#N)cn2)CC1 72277856 ALAIWOTXJZZYBU-AWEZNQCLSA-N 329.448 2.610 30 40 EFEB C[C@H](CNC(=O)C(=O)Nc1ccc(F)c(C#N)c1)c1cccs1 72292100 ZQOCKFZHXDWHTH-SNVBAGLBSA-N 331.372 2.617 30 40 EFEB Cc1cccc(CNC(=O)CSc2nnc(C)c(C)c2C#N)c1 96500545 FTHKCWSIYBMVPJ-UHFFFAOYSA-N 326.425 2.682 30 40 EFEB CCN(CCCO/N=C(/N)c1ccccc1OC)CC(F)(F)F 97163189 MPYRIIGCEACSAK-UHFFFAOYSA-N 333.354 2.606 30 40 EFEB C/N=C(/NCc1ccc(C)nc1OC)NC[C@@H]1CCO[C@@H]1C(C)(C)C 95963212 AHCRSNVMLYAVBA-HOCLYGCPSA-N 348.491 2.515 30 40 EFEB CCCc1n[nH]c([C@@H]2CN([C@@H](C)c3ccc(C#N)cc3)CCO2)n1 76049358 RKWIAHISZYOXOL-BBRMVZONSA-N 325.416 2.763 30 40 EFEB Cc1cc(C)n(Cc2cccc(N[C@H](C)C(=O)N(C)CCC#N)c2)n1 79030860 CMKAOIGJUBOFEY-MRXNPFEDSA-N 339.443 2.721 30 40 EFEB N#CCc1ccc(NC(=O)c2cn3c4c(cccc4c2=O)CC3)cc1 226093702 FDACQNXFALAOKK-UHFFFAOYSA-N 329.359 2.876 30 40 EFEB Cc1ccc(S(=O)(=O)[C@H]2[C@@H](c3ccc(F)cc3)[C@@]2(C#N)CO)cc1 225655982 NHOFTUQPJICLKX-FGTMMUONSA-N 345.395 2.576 30 40 EFEB CC(C)Oc1ncccc1CNC(=O)NCc1cc(C#N)ccc1F 96439228 KBJQIDTXAUNDBR-UHFFFAOYSA-N 342.374 2.879 30 40 EFEB Cc1nsc(N2CCN(Cc3cc(C4CC4)no3)CC2)c1C#N 595494038 ISFAQJQAKWAGJU-UHFFFAOYSA-N 329.429 2.511 30 40 EFEB CCN(C[C@@H](C)C#N)C(=O)[C@@H](c1ccccc1)N1CCCCC1=O 69369705 GLJCQROUXSDTRS-MAUKXSAKSA-N 327.428 2.748 30 40 EFEB Cc1nc2c([nH]c3ccccc32)c(=O)n1/N=C/c1ccc([N+](=O)[O-])cc1 499523 CKXSSXPXOPDUOH-VXLYETTFSA-N 347.334 2.977 30 40 EFEB N=C(N/N=C/c1ccc(-c2cccc(Cl)c2Cl)o1)N[N+](=O)[O-] 2181634 RYPBBSLJIIKCSG-OMCISZLKSA-N 342.142 2.893 30 40 EFEB O=C1[C@H]2[C@@H]3C=C[C@@H](CC3)[C@@H]2C(=O)N1/N=C/c1ccc(Br)o1 15162193 PUQOAMYQHUAWOD-FMBIALOHSA-N 349.184 2.573 30 40 EFEB CCN1CCN(c2oc(/C=C/c3ccc(F)cc3)nc2C#N)CC1 20446660 FSQSTYAZGZLPSU-VMPITWQZSA-N 326.375 2.998 30 40 EFEB N#CCc1ccc(NC(=S)NCc2ccc3c(c2)OCO3)cc1 7369114 PODLSJKPENHFHR-UHFFFAOYSA-N 325.393 2.968 30 40 EFEB Cc1cc(C)c(CC/N=C(\O)N/N=c2\nc(C)cc(C)[nH]2)c(C)c1 58214503 TWAHTBKERYQREG-UHFFFAOYSA-N 327.432 2.514 30 40 EFEB N#Cc1cccc(NC(=O)CCNC(=O)c2ccc(F)cc2F)c1 11374157 SWDZQWIHTXVDNR-UHFFFAOYSA-N 329.306 2.595 30 40 EFEB C=CCn1c(SCc2nc(CC)no2)nc2sccc2c1=O 13002314 NYRMWXMWBRUJEE-UHFFFAOYSA-N 334.426 2.882 30 40 EFEB CC(C)(C)c1ncc(/C(O)=N/S(=O)(=O)c2cccnc2)s1 63234801 GVJDLRPNYJALAS-UHFFFAOYSA-N 325.415 2.529 30 40 EFEB N#Cc1ccc(C(=O)Nc2ccccc2C(=O)NC[C@H]2CCCO2)cc1 15638328 MEPILAFNQORTBS-MRXNPFEDSA-N 349.390 2.719 30 40 EFEB CCc1nc([C@@H]2CCCN(C(=O)Nc3cccc(C#N)c3)C2)no1 69219203 QAOGJWASLUBXIF-CYBMUJFWSA-N 325.372 2.915 30 40 EFEB Cc1ccc(S(=O)(=O)/N=C(\O)[C@H](C)OC[C@H]2CCCO2)cc1C 69282728 PCGBRAHQZUOQMT-UONOGXRCSA-N 341.429 2.533 30 40 EFEB Cn1cc(-c2nc(C(=O)N(CCC#N)Cc3ccco3)cs2)cn1 69349586 GVEFYGCOTGBJKG-UHFFFAOYSA-N 341.396 2.693 30 40 EFEB Cc1cn2c(n1)CC[C@@H](NC(=O)c1c(C)oc(-n3cccc3)c1C#N)C2 97198272 MQEGYJSLCPJLTL-CQSZACIVSA-N 349.394 2.500 30 40 EFEB N#CC1(CS(=O)(=O)N[C@H]2CCCC[C@@H]2OCc2ccccc2)CC1 97144688 NKDXSWWXCOZQNH-IRXDYDNUSA-N 348.468 2.738 30 40 EFEB C#Cc1cccc(N(C)S(=O)(=O)c2ccc(F)c(NC(C)=O)c2)c1 76557477 NGBPSGBUAPKLAI-UHFFFAOYSA-N 346.383 2.591 30 40 EFEB CCOC(=O)C1=C(N)OC2=C(C(=O)CCC2)[C@H]1c1c(F)cccc1F 35324000 FXZYOPGHGKTXBB-OAHLLOKOSA-N 349.333 2.819 30 40 EFEB N#Cc1cccc(C(=O)N2CC[C@@H](N3CCc4ccccc4C3)C2)c1 225684395 BZXVYMLGXQSIMH-HXUWFJFHSA-N 331.419 2.831 30 40 EFEB C=CCO[C@H](C)/C(O)=N/S(=O)(=O)c1cccc(C(F)(F)F)c1 69283227 OBBZMKWOXFIEOK-SECBINFHSA-N 337.319 2.942 30 40 EFEB O=C(C[C@@H]1S/C(=N/c2ccccc2)NC1=O)NCc1ccccc1 13464361 ALIMTTXCENDFRB-HNNXBMFYSA-N 339.420 2.612 30 40 EFEB Cc1ccccc1-n1cnnc1SCC(=O)NC1(C#N)CCCC1 4501206 JZSPUEHDYNXQLZ-UHFFFAOYSA-N 341.440 2.620 30 40 EFEB C[C@@H](OC(=O)c1ccccc1CC#N)c1nc2ccccc2c(=O)[nH]1 23969921 IXTGUIRGXMLOFI-GFCCVEGCSA-N 333.347 2.907 30 40 EFEB CCOC(=O)c1ccc(N/C=C2\C(=O)Oc3ccccc3C2=O)cc1 100836585 BAMACWLEFMHVGS-PTNGSMBKSA-N 337.331 2.961 30 40 EFEB CSc1nc(C)c(CCC(=O)Nc2ccc(C#N)cn2)c(C)n1 78449275 TVXAUELLVSLFIP-UHFFFAOYSA-N 327.413 2.653 30 40 EFEB C/N=C(\NCCCn1cccn1)N[C@@H](C)c1cc(C)ccc1OC 95397693 LTFJFLUCAJXWDD-HNNXBMFYSA-N 329.448 2.516 30 40 EFEB COc1cccc([C@@H]2/C(=C(/C)O)C(=O)C(=O)N2Cc2cccnc2)c1 106462350 PUVIVUFSKKFERD-NWNNTGRJSA-N 338.363 2.575 30 40 EFEB COc1ccc(/C=N\N=C2/NC(=O)[C@@H](c3ccccc3)S2)cc1 9189502 OTGUKKVBBVQTHX-JQFNYASXSA-N 325.393 2.989 30 40 EFEB CC(C)(C)NC(=O)c1ccc(C(=O)NCC#Cc2ccccc2)cc1 58289299 RNGGWFLUYZZGBI-UHFFFAOYSA-N 334.419 2.996 30 40 EFEB Cc1ccccc1CCNC(=O)C1CCN(c2ccc(C#N)cn2)CC1 12901466 XZXZRFMYCJXQAX-UHFFFAOYSA-N 348.450 2.837 30 40 EFEB O=C1Nc2ccc(Br)cc2/C1=N\NCc1ccccc1 12930551 KAQZLMWWRGTQSP-UHFFFAOYSA-N 330.185 2.895 30 40 EFEB N#Cc1ccsc1NC(=O)CCSc1nnnn1C1CCCC1 9548647 SNSBIKPAYAJAOC-UHFFFAOYSA-N 348.457 2.842 30 40 EFEB CCn1cc(/C(O)=N/S(=O)(=O)Cc2cc(Cl)ccc2F)cn1 95416032 ZJPUODKMKRYVDF-UHFFFAOYSA-N 345.783 2.530 30 40 EFEB CSc1[nH]c(=O)c(C(=O)N2CCC[C@@H]2C2CCCC2)cc1C#N 89493795 ADGKDQVOQKYBCB-CQSZACIVSA-N 331.441 2.763 30 40 EFEB N#Cc1ncn(CC[S@@](=O)c2cc(Cl)ccc2Cl)c1C#N 126061780 WEFQKXHKMQNTGR-NRFANRHFSA-N 339.207 2.741 30 40 EFEB Cc1cc(C)c(N2CC[C@@H](Nc3ccn(CCC#N)n3)C2=O)c(C)c1 190976450 JVZMLIRTLGTDSX-MRXNPFEDSA-N 337.427 2.939 30 40 EFEB CCS(=O)(=O)c1sc(N)c(C#N)c1-c1cccc([N+](=O)[O-])c1 96532127 GEGZJHLCPCJANW-UHFFFAOYSA-N 337.382 2.571 30 40 EFEB Cc1coc(-c2ccc(C)c(S(=O)(=O)N(C)C(C)(C)C#N)c2)n1 585129172 ABWWJOZIOFGITM-UHFFFAOYSA-N 333.413 2.881 30 40 EFEB C[C@H]1CCC[C@H](CCN(C)C)N1S(=O)(=O)c1ccsc1C#N 1614994317 FTJTZTWSCDYNJQ-QWHCGFSZSA-N 341.502 2.503 30 40 EFEB Cc1nnc(N(C)Cc2cnn(Cc3ccccc3)c2)c(C#N)c1C 29429705 XATSQLVGWCAXCH-UHFFFAOYSA-N 332.411 2.846 30 40 EFEB N#Cc1cccc(NC(=O)N2CCNC(=O)C[C@@H]2c2ccccc2)c1 53732985 QSXVGDDXXYPMOG-QGZVFWFLSA-N 334.379 2.653 30 40 EFEB CCc1nc2ccccc2c(C(=O)OCC(=O)N(C)CCC#N)c1C 3450105 MPJUYWASFVRGFG-UHFFFAOYSA-N 339.395 2.635 30 40 EFEB N#CCCn1cc(C(=O)N2CCOCC2)c(-c2ccc(Cl)cc2)n1 4516910 RLLGDLOKQMQONL-UHFFFAOYSA-N 344.802 2.590 30 40 EFEB C=CCSC1=N[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(Cl)cc1 13736165 HINGMBCZQDGFGH-STQMWFEESA-N 342.873 2.601 30 40 EFEB COc1ccc([C@H]2[C@@H]3CCCC[C@]3(O)CCN2CC#N)cc1OC 61931147 XIIIERLRZPQPKY-SNRMKQJTSA-N 330.428 2.895 30 40 EFEB CCOC(=O)c1cc(C#N)c(SCC(=O)N[C@@H](C)C(C)C)nc1C 7149429 JHPAXOKZZJSGLM-NSHDSACASA-N 349.456 2.691 30 40 EFEB C[C@H]1CCCN(C(=O)C2CCN(c3ccc(C#N)cn3)CC2)CC1 71841922 JCZTUAWSLDGQJT-HNNXBMFYSA-N 326.444 2.818 30 40 EFEB Cc1cc(C)n(C[C@@H]2CCCCN2C(=O)c2ccc(C#N)c(C)n2)n1 71865513 VTUMMCXPDOJSDE-KRWDZBQOSA-N 337.427 2.770 30 40 EFEB C#CCOc1ccc(/C=N/Nc2ncccc2[N+](=O)[O-])cc1OCC 409069587 WDGVBGAHERXZRV-XDHOZWIPSA-N 340.339 2.847 30 40 EFEB C/N=C(/NCc1noc(C)n1)N[C@@H](C)c1ccc(OCC(C)C)cc1 95975816 LKZCEQPIEADGAT-ZDUSSCGKSA-N 345.447 2.839 30 40 EFEB CCn1nc(C)c(/C(O)=N/S(=O)(=O)c2cccc(C)c2)c1Cl 76760086 INGCWDYHTSFIQT-UHFFFAOYSA-N 341.820 2.867 30 40 EFEB C#Cc1cccc(CNCc2c(C)nn(C)c2OCC(F)(F)F)c1 585086723 COAQYRRQQGYNGY-UHFFFAOYSA-N 337.345 2.941 30 40 EFEB CCCN(CC#N)C(=O)c1csc(-c2ccc3c(c2)OCO3)n1 69587798 QTGFLGJVWIKLQP-UHFFFAOYSA-N 329.381 2.915 30 40 EFEB CN1C(=O)CN(C(=O)NCC2(C#N)CCCCC2)Cc2ccccc21 598941317 NDHYNHSRFMMSPW-UHFFFAOYSA-N 340.427 2.649 30 40 EFEB C[C@H]1CCN(c2ccc(F)cc2F)CCN1c1cc(C#N)ncn1 1615002014 VLKYOCFXSBGXPH-LBPRGKRZSA-N 329.354 2.732 30 40 EFEB C#CCN1CCC(C(=O)Nc2cnn(-c3ccccc3Cl)c2)CC1 69879191 YPMHUIXXGUPSKQ-UHFFFAOYSA-N 342.830 2.809 30 40 EFEB CC(C)[C@@](C)(C#N)NC(=O)CN1CC=C(c2ccc(O)cc2)CC1 53815123 IGBOPQRQIGPIQP-LJQANCHMSA-N 327.428 2.536 30 40 EFEB Cc1cc(C)c(C#N)c(S[C@@H]2CC(=O)N(c3ccccc3)C2=O)n1 82029 WNPAQUBNRNAEFE-OAHLLOKOSA-N 337.404 2.994 30 40 EFEB Cc1ccc(N2C[C@H](C(=O)[C@H](C#N)c3cc(C)nc(C)n3)CC2=O)cc1 41574745 KBQUXPCDJDYFAI-NVXWUHKLSA-N 348.406 2.631 30 40 EFEB Cc1ccc(CNC(=O)CCc2c(C)[nH]c(=O)c(C#N)c2C)cc1F 8216197 LCKZDARFWXDSIY-UHFFFAOYSA-N 341.386 2.560 30 40 EFEB Cc1ccc(OCCN2C(=O)N[C@](C)(c3ccc(C#N)cc3)C2=O)cc1 12752747 DREICEQFHDPCHT-HXUWFJFHSA-N 349.390 2.713 30 40 EFEB N#Cc1ccccc1CN1C(=O)N[C@H](Cc2c[nH]c3ccccc23)C1=O 3382330 CXUURMBQCVHSFX-GOSISDBHSA-N 344.374 2.703 30 40 EFEB C=CCNC(=O)NC(=O)CSc1nc(C2CC2)nc2ccccc12 14093055 GUSGKQDFTMXMPX-UHFFFAOYSA-N 342.424 2.611 30 40 EFEB CSc1sc(NS(=O)(=O)c2ccc(C#N)cc2)nc1C 66254453 ROUOXHHITSYFJC-UHFFFAOYSA-N 325.440 2.846 30 40 EFEB Cc1cc(C(=O)NC[C@@H](C)C#N)c(C)n1-c1ccc2c(c1)OCCO2 69700928 IYAYMBUAIFSCPV-LBPRGKRZSA-N 339.395 2.755 30 40 EFEB CCc1nnc(NCCc2nc(-c3ccccc3)n[nH]2)c(C#N)c1CC 95943705 QXHYEZDCZMXWQT-UHFFFAOYSA-N 347.426 2.913 30 40 EFEB N#Cc1cccc(/C(O)=N/S(=O)(=O)c2ccc(C#N)c(Cl)c2)c1 75134227 ISLRFPYBXZEFMR-UHFFFAOYSA-N 345.767 2.777 30 40 EFEB CC(C)[C@](C)(C#N)NC(=O)CSc1nc(-c2cccs2)n[nH]1 8935811 VHMUAGPKOMAJBQ-AWEZNQCLSA-N 335.458 2.680 30 40 EFEB N#Cc1ccc(C(=O)NCc2nccn2CCc2ccccc2)cc1 81931074 USFHLGGMIOZFMH-UHFFFAOYSA-N 330.391 2.927 30 40 EFEB CN(C1(C#N)CCCCC1)S(=O)(=O)c1cnn(-c2ccccc2)c1 97095818 AQHJHSQPSOAROO-UHFFFAOYSA-N 344.440 2.719 30 40 EFEB N#Cc1cnnc(N2CC(Cc3ccccc3Br)C2)c1 585123394 ZYHBQLFXMPKFTG-UHFFFAOYSA-N 329.201 2.790 30 40 EFEB N#Cc1cc(Br)ccc1N1CCC[C@H](CCC(N)=O)C1 97083850 KVHZEKSHZTWXGP-LLVKDONJSA-N 336.233 2.803 30 40 EFEB CCOc1cc(/C=N/Nc2nnn[nH]2)ccc1OCc1ccccc1 5718558 NLCGLXILAZQMEZ-WOJGMQOQSA-N 338.371 2.623 30 40 EFEB C[N+]1(Cc2ccccc2)[C@H]2CC[C@@H]1C(=O)N(Cc1ccccc1)C2=O 18069239 DMDDSFBWTOPMGN-LIMIJEPZSA-N 335.427 2.733 30 40 EFEB C/C(CCc1ccc2c(c1)OCO2)=N\NS(=O)(=O)c1ccccc1 4863722 JWBHZCURRFCDDJ-QGOAFFKASA-N 346.408 2.702 30 40 EFEB N#Cc1ccc(CCC(=O)N[C@@H](Cn2nccn2)c2ccccc2)cc1 253403522 QBGOZYUWQLKUBO-IBGZPJMESA-N 345.406 2.640 30 40 EFEB Cc1ccoc1C(=O)[C@@H](C#N)C(=O)c1cnn(-c2ccc(F)cc2)n1 101215807 DCNBLJRJMUHLLS-ZDUSSCGKSA-N 338.298 2.513 30 40 EFEB CCOc1ccc(-c2nc(Cn3cnc(C#N)n3)cs2)cc1OC 21914377 WXVIWNFOXARYNI-UHFFFAOYSA-N 341.396 2.729 30 40 EFEB C[C@H]1C[C@@H]1/C(O)=N/S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F 58421350 OFCBODRJXMPBHQ-CBAPKCEASA-N 332.303 2.878 30 40 EFEB C[C@H](Oc1ccccc1C(=O)O)C(=O)N(C)C1(C#N)CCCCC1 13411768 OFBHCGHMVXKEMH-ZDUSSCGKSA-N 330.384 2.837 30 40 EFEB COc1cccc(C(=O)C2=C(O)C(=O)N[C@H]2c2ccccc2F)c1 6304757 RYWVBZCGNOTZNO-HNNXBMFYSA-N 327.311 2.700 30 40 EFEB N#Cc1cnn(CCOc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1 96009518 ZZDCFNSGVAGGQZ-UHFFFAOYSA-N 326.234 2.761 30 40 EFEB CCOc1ccc(/C=C/C(=O)OCC(=O)N[C@@](C)(C#N)C(C)C)cc1 7254686 WBSNTVZQYLFQFX-BLRBJFNZSA-N 344.411 2.696 30 40 EFEB N#Cc1ccccc1OCC(=O)NCc1ccccc1CN1CCCC1 8011805 CKLYSPGZIZRHGX-UHFFFAOYSA-N 349.434 2.849 30 40 EFEB N#Cc1nccnc1N1CCO[C@H](c2ccc(C(F)(F)F)cc2)C1 97082699 BUFFRXPANWHFJM-AWEZNQCLSA-N 334.301 2.945 30 40 EFEB C#Cc1cccc(NC(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)C2)c1 72277983 WAEONPHMBSZGFS-HNNXBMFYSA-N 329.400 2.799 30 40 EFEB N#Cc1nccnc1N[C@@H]1CCN(c2ccccc2OC(F)F)C1 72286885 RRQOOGMNOVMYHG-LLVKDONJSA-N 331.326 2.640 30 40 EFEB COc1ccc(-c2nnc(-n3cnc(C#N)n3)c3ccccc23)cc1 97162922 VTBCCRBFWUQNMO-UHFFFAOYSA-N 328.335 2.758 30 40 EFEB CC(=O)c1ccccc1C(=O)NCCNc1cccc(F)c1C#N 72973614 SLXQOWWRQMZVJI-UHFFFAOYSA-N 325.343 2.742 30 40 EFEB Cc1nn(C)c(C)c1S(=O)(=O)/N=C(\O)[C@H](C)Cc1cccs1 76761360 WRFZSWJNTPGROO-SECBINFHSA-N 341.458 2.622 30 40 EFEB CCc1cnc(CN(C)[C@@H]2CCN(c3sccc3C#N)C2=O)s1 83217121 ZOPXTWFGEOXHHS-CYBMUJFWSA-N 346.481 2.876 30 40 EFEB C=CCN1CC[C@@H](Sc2nnc(CCc3ccccc3)o2)C1=O 225571821 AOLHVBGSZNXJSR-CQSZACIVSA-N 329.425 2.734 30 40 EFEB COc1ccc(Br)cc1CCC(=O)NC[C@@H](C)C#N 96417036 VDYHCADIIIAMFD-JTQLQIEISA-N 325.206 2.666 30 40 EFEB CC/N=C(\NCc1c(C)noc1C)NC[C@H]1CCO[C@H]1C(C)(C)C 95406339 FARYDZNIZZEAAF-GDBMZVCRSA-N 336.480 2.798 30 40 EFEB Cc1nc(-c2ccc(OS(=O)(=O)c3ccccc3C#N)cc2)no1 25875162 CDGRJVUFJKBCQO-UHFFFAOYSA-N 341.348 2.684 30 40 EFEB C[C@@H](c1cccnc1)N1CCN(c2cc(C#N)ccc2[N+](=O)[O-])CC1 274264086 OOFIDXQZMCAZHR-AWEZNQCLSA-N 337.383 2.745 30 40 EFEB COC(=O)C1=C(C(=O)OC)/C(=N/c2ccccc2)c2ccccc2C1=O 5518870 JBZXFJHWMCMGMJ-HEHNFIMWSA-N 349.342 2.646 30 40 EFEB O=[N+]([O-])c1cccc(/C=N/c2ccccc2N2CCOCC2)c1O 244178 WWVHFKDYOXVMNR-LDADJPATSA-N 327.340 2.888 30 40 EFEB COCCOc1ccc(C(=O)/C=C/c2ccc(C(=O)OC)o2)cc1 58264738 UCESLZYCSRNAEI-VQHVLOKHSA-N 330.336 2.988 30 40 EFEB COc1ccc(CCN2CC[C@H](CNc3ncccc3C#N)C2)cc1 65494361 HHYLLCBNKIBEQY-QGZVFWFLSA-N 336.439 2.938 30 40 EFEB CCc1nnc(S)n1/N=C/c1ccc(OC(F)F)c(OC)c1 8183010 PJYAVWNEPOEFGG-FRKPEAEDSA-N 328.344 2.621 30 40 EFEB C=C(Cl)CN(C(=O)CS(=O)(=O)CC)[C@H]1CCc2ccccc21 69420403 GFFZFCSJFHGRBE-HNNXBMFYSA-N 341.860 2.690 30 40 EFEB C[C@@H](Cc1ccc2ccccc2c1)NS(=O)(=O)CC1(C#N)CC1 96503189 GTBJTYRAKQZNPM-AWEZNQCLSA-N 328.437 2.994 30 40 EFEB C[C@H](Nc1ccc(CCN2CCCCC2)cc1)C(=O)N(C)CCC#N 71902551 ZTXDUHAMJVMXIX-KRWDZBQOSA-N 342.487 2.887 30 40 EFEB CN1C[C@H](C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2)CC1=O 69813702 XWKGDNXTORDPQU-MRXNPFEDSA-N 349.390 2.554 30 40 EFEB COc1ccccc1/C=N/N=C1\NC(=O)[C@H](Cc2ccccc2)S1 18209034 KDMKCGBLJQDSSF-QUYZQLMHSA-N 339.420 2.859 30 40 EFEB C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@H](O)C[C@]2(C)[C@@H]1O 118934967 KRJYQZVCFICBNU-RVYFVFQDSA-N 334.431 2.964 30 40 EFEB N#Cc1csc(C(=O)NCC2(c3ccc4c(c3)OCO4)CC2)c1 95409437 LHGKIBAHXCHNSL-UHFFFAOYSA-N 326.377 2.810 30 40 EFEB C#Cc1cccc(NC(=O)N2CCOC[C@H]2c2c(C)nn(C)c2C)c1 95983600 SZBASBMPBKMWGH-KRWDZBQOSA-N 338.411 2.624 30 40 EFEB CCOc1cc(/C=N/N2C(=O)CSC2=S)cc(Cl)c1O 409348961 UCGTYYBALHNDNM-LHHJGKSTSA-N 330.818 2.639 30 40 EFEB Cc1cc(/C=N/n2cnnc2)c(C)n1-c1cc(C(=O)O)ccc1Cl 408913970 WOGKDUZVIQGAJT-IFRROFPPSA-N 343.774 2.919 30 40 EFEB CN(CCCOc1ccccc1)S(=O)(=O)c1cccc(C#N)c1 30358351 KFVGSCUSYMJNER-UHFFFAOYSA-N 330.409 2.648 30 40 EFEB CCc1ccc([C@H]2[C@H](S(=O)(=O)c3ccccc3)[C@@]2(C#N)CO)cc1 225653756 SQRPMXADNHPHRZ-FHWLQOOXSA-N 341.432 2.691 30 40 EFEB N#Cc1cc(F)ccc1NC(=O)Nc1ccn(Cc2ccncc2)n1 192417384 VZWBIBGCMDURKS-UHFFFAOYSA-N 336.330 2.981 30 40 EFEB C=CCN1CC[C@]2(CN(C(=O)c3ccc4[nH]ccc4c3)C[C@H]2C)C1=O 96201695 KOQJEJZSYSDCHN-JLTOFOAXSA-N 337.423 2.665 30 40 EFEB O/C(Cc1ccc2c(c1)OCCCO2)=N\c1nc([C@H]2CCCO2)n[nH]1 95475084 ZODBAZQQKUQIDY-CYBMUJFWSA-N 344.371 2.648 30 40 EFEB Cc1c(Cl)c[nH]c(=NCCCCN2C[C@H](C)O[C@H](C)C2)c1C#N 612085449 MCSHHWBVAPGAJD-BETUJISGSA-N 336.867 2.638 30 40 EFEB CC(C)(C)c1ccc(OC[C@H]2CCN(c3cccnc3C#N)C2)nn1 1888846741 BSFKTQHYHJTNRZ-AWEZNQCLSA-N 337.427 2.946 30 40 EFEB N#C[C@H](C(=O)c1cnsn1)C(=O)c1c[nH]c2cc(Cl)ccc12 101253443 IBYVEYRDPDAMRO-VIFPVBQESA-N 330.756 2.878 30 40 EFEB Cc1ccc(C#N)c(SCC(=O)Nc2ccc(C(=O)O)cc2)n1 84279 IKPXJGLKWIFTIU-UHFFFAOYSA-N 327.365 2.691 30 40 EFEB Cc1ccc(CN(C)C(=O)CCc2c(C)[nH]c(=O)c(C#N)c2C)cc1 24352645 YQXXUHWGNSCGDG-UHFFFAOYSA-N 337.423 2.763 30 40 EFEB Cc1cc(C)cc(NC(=O)N2CCN(c3cc(C#N)ccn3)CC2)c1 43274759 HWWIIPDLTZFVNS-UHFFFAOYSA-N 335.411 2.924 30 40 EFEB CC(C)c1ccc(NC(=O)CN2CCN([C@H](C#N)C(C)C)CC2)cc1 69598738 TWEXDIJILMHBSP-LJQANCHMSA-N 342.487 2.914 30 40 EFEB C#Cc1cccc(NC(=O)N[C@@H](Cc2ccccc2)C(=O)NC2CC2)c1 69921628 LPIIENICTREXAC-IBGZPJMESA-N 347.418 2.679 30 40 EFEB Cc1ccccc1N=C[C@H]1C(=O)NC(=O)N([C@H]2C[C@H]3CC[C@H]2C3)C1=O 408527599 OZMKJCUAAJCTGL-YXWQFLTLSA-N 339.395 2.581 30 40 EFEB C/N=C1/S/C(=C\c2cc(Br)ccc2OC)C(=O)N1C 408843593 GICTVISJKSGZSB-WBQBQJITSA-N 341.230 2.990 30 40 EFEB O=C(NCC#CCOc1ccc2c(c1)OCO2)c1c(F)cccc1F 90610502 XROYWFNMIOUECR-UHFFFAOYSA-N 345.301 2.506 30 40 EFEB C=CCOc1ccccc1C(=O)N1CCC[C@H](n2ccnn2)CC1 585141636 WKNOFEPTASUWBH-HNNXBMFYSA-N 326.400 2.710 30 40 EFEB O=[N+]([O-])c1ccc2c(c1)/C(=N/O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1-2 95681997 CPGLUGPWOUGEJN-YPKPFQOOSA-N 330.212 2.618 30 40 EFEB C=CCN1CCN([C@@H](CCC)c2nnnn2C2CCCCC2)CC1 19501877 BUMKFGUANHPKIA-KRWDZBQOSA-N 332.496 2.823 30 40 EFEB N#Cc1ccc(C(=O)N2CC(Oc3ccnc(C(F)(F)F)c3)C2)cc1 1775974354 YLNQWQNMTAMLCU-UHFFFAOYSA-N 347.296 2.875 30 40 EFEB COCc1c(C#N)c(NCCc2ccccc2)nc(C)c1[N+](=O)[O-] 20790810 AMHVJLFJKKQDCM-UHFFFAOYSA-N 326.356 2.971 30 40 EFEB O=S(=O)(/N=C(\O)c1ccc2c(c1)OCO2)c1ccc(Cl)s1 46928707 XMQSOFPSGXCCDA-UHFFFAOYSA-N 345.785 2.824 30 40 EFEB N#Cc1ccccc1/C=C/C(=O)[C@@H](C#N)c1nnc2n1CCCCC2 58267335 MWFDWYDISKVDRT-ZNFPLGDCSA-N 331.379 2.766 30 40 EFEB CN(C)c1ccc([C@@H](C#N)N2C[C@@H]3C[C@@H](C2)c2cccc(=O)n2C3)cc1 100746321 NRSULNRVANKMOG-RIFZZMRRSA-N 348.450 2.598 30 40 EFEB CCCCn1c(S[C@H](C)C#N)nc2cc(C(=O)OC)ccc2c1=O 3370394 HWKZJEMZPQEWAT-LLVKDONJSA-N 345.424 2.987 30 40 EFEB Cc1ccc([C@@H](CNCc2cccc(C#N)c2)N2CCOCC2)o1 48301108 ZKZHUNGTKNVWLQ-GOSISDBHSA-N 325.412 2.623 30 40 EFEB Cc1ccccc1S(=O)(=O)/N=C(\O)COCCOc1ccccc1 48426619 XYROHEUILQGVOR-UHFFFAOYSA-N 349.408 2.736 30 40 EFEB CCOc1cccc([C@@H](C)NC(=O)CN(C)c2ccc(C#N)cn2)c1 63253766 MVWRXMFQAUQKBT-CQSZACIVSA-N 338.411 2.666 30 40 EFEB COCCN1C(=O)C(O)=C(C(=O)c2ccco2)[C@@H]1c1ccc(F)cc1 4936679 KTSLUTHLWIYOQV-HNNXBMFYSA-N 345.326 2.643 30 40 EFEB N#Cc1nc(COc2ccccc2F)oc1NCCCn1ccnc1 17440266 WXBRYJKQRSDOIQ-UHFFFAOYSA-N 341.346 2.963 30 40 EFEB CCS[C@@H]1C(C(=O)c2ccc(CC)cc2)=C(CC(=O)O)C(=O)N1C 62716271 ILEWDCGGWVAPMB-GOSISDBHSA-N 347.436 2.754 30 40 EFEB Cc1cc(C(F)(F)F)nn1CCCNC(=O)c1cccc(C#N)c1 27933112 STYVVVCGLQDIQZ-UHFFFAOYSA-N 336.317 2.902 30 40 EFEB Cn1nccc1C(=O)OC[C@@H](C#N)Cc1ccc(Br)cc1 97039144 DNIIQYAMUZLKJJ-GFCCVEGCSA-N 348.200 2.722 30 40 EFEB Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)Nc1ccc2ccn(C)c2c1 75142135 LMJUPLBTYHFSAQ-UHFFFAOYSA-N 348.406 2.926 30 40 EFEB COc1cccc(N2CCN(c3nc4c(cc3C#N)CCC4)CC2)c1 326370418 FRCFYPCIVPTGFZ-UHFFFAOYSA-N 334.423 2.777 30 40 EFEB Cc1ccc(S(=O)(=O)OCCCN(C)C(=O)OC(C)(C)C)cc1 35653232 TUNGDNONMRXMFR-UHFFFAOYSA-N 343.445 2.957 30 40 EFEB in-vitro CC[C@@H](C#N)S(=O)(=O)N(C)C1CCN(C2CCC(C)CC2)CC1 95439657 IAHXRRRDJXIDFS-PREGVCBESA-N 341.521 2.593 30 40 EFEB C=C(C)C[C@H](C)C(=O)N1CCN(C(=O)[C@H](C)CC(=C)C)[C@H](C#N)C1 585127652 GLFFIQDZGJRXNR-GVDBMIGSSA-N 331.460 2.754 30 40 EFEB C[C@]12C[C@@H](O)C3=C4CCC(=O)C=C4CC[C@H]3[C@@H]1CC[C@]2(O)CC#N 1569985961 QVHMVYURUMVWSF-GCLMUHHRSA-N 327.424 2.808 30 40 EFEB CC(=O)N1CCc2c(sc(NC(=O)c3cccc(F)c3)c2C#N)C1 4275176 VRFVIMPYPGQAAA-UHFFFAOYSA-N 343.383 2.916 30 40 EFEB CCC[C@H](C)CC(=O)[C@@H](C#N)C(=O)NCCc1ccc(OC)cc1 101996612 VAMLOGJWOXYGMK-WMLDXEAASA-N 330.428 2.889 30 40 EFEB Cc1cc2nc(NCCNc3ncccc3C#N)c3ccccc3n2n1 52189517 FEHMTGKANBHYGS-UHFFFAOYSA-N 343.394 2.982 30 40 EFEB CCCCCS(=O)(=O)/N=C1/SCC(=O)N1c1ccccc1 101219210 LKVGTRQXXSJERD-CCEZHUSRSA-N 326.443 2.642 30 40 EFEB N/C(=N\OCC(=O)NCCC1=CCCCC1)c1ccc(Cl)cc1 21585819 PWYJPRURXCEFBE-UHFFFAOYSA-N 335.835 2.984 30 40 EFEB N#CC1(NC(=O)CSc2nnc(C3CC3)n2C2CC2)CCCCC1 5401252 RHDVSTGFNPYBCX-UHFFFAOYSA-N 345.472 2.925 30 40 EFEB C=CCNC(=O)[C@@H](C)Sc1nnc2c(Cl)cc(Cl)cn12 7876127 OFAFVGCLENQETA-SSDOTTSWSA-N 331.228 2.819 30 40 EFEB N#Cc1cc(NC(=O)Cn2cc(C(F)(F)F)ccc2=O)ccc1F 69493916 UDVIUCVAGBZQID-UHFFFAOYSA-N 339.248 2.517 30 40 EFEB Cn1nccc1C(=O)OC[C@H](C#N)Cc1ccc(Br)cc1 97039142 DNIIQYAMUZLKJJ-LBPRGKRZSA-N 348.200 2.722 30 40 EFEB CC(C)(C)c1nnc(N2CCCN(c3ncccc3C#N)CC2)s1 89761558 QSSRWBYZEZAXND-UHFFFAOYSA-N 342.472 2.819 30 40 EFEB S[C@@H]1N=C(c2ccccc2)N2[C@H](S)N=C(c3ccccc3)N12 31614696 QABJPBWDVZHRSP-HZPDHXFCSA-N 326.450 2.853 30 40 EFEB COc1ccc(/C=N\NC(=S)N/N=C/c2ccc(OC)cc2)cc1 33286401 IFRJZSUFZHHXKD-VHVWWYSBSA-N 342.424 2.536 30 40 EFEB O=[N+]([O-])c1cccc(/C=N/Nc2nnc3c(n2)[nH]c2ccccc23)c1O 36075073 NGQOOZFSDQRCBC-CAOOACKPSA-N 349.310 2.566 30 40 EFEB CC[C@H](C)n1[nH]c(=N/C(O)=N/[C@H]2c3ccccc3C[C@H]2O)cc1C 329219502 SOEPOHWRQBVHPA-CXMBCZLWSA-N 328.416 2.569 30 40 EFEB N#Cc1ccc(CNC(=O)NC[C@H]2CCN(Cc3ccccc3)C2)cc1 194010657 BAALLNKOZGQEJF-HXUWFJFHSA-N 348.450 2.880 30 40 EFEB Cc1nc(C)c(CN2C(=O)N[C@@](C)(c3cccc(C#N)c3)C2=O)s1 96424895 CKCBVPWJUWFBOP-KRWDZBQOSA-N 340.408 2.599 30 40 EFEB N#Cc1cc(N2CCC(OC[C@H]3CCCO3)CC2)ccc1[N+](=O)[O-] 97379176 JBARHMBTYNBASE-MRXNPFEDSA-N 331.372 2.631 30 40 EFEB CC[C@@H](CC#N)NC(=O)[C@@H](NC(=O)OC(C)(C)C)c1ccccc1O 585089294 BDRNPACYFXPLKZ-WFASDCNBSA-N 347.415 2.766 30 40 EFEB COc1ccccc1OCC#CCNC(=O)Cc1ccc(F)cc1 90610379 YXQVSJXUGYKUGQ-UHFFFAOYSA-N 327.355 2.575 30 40 EFEB N#Cc1ccnc(OC[C@@H]2CCCN(C(=O)C3CC(F)(F)C3)C2)c1 1775995556 SUHTZLKSIBVOFR-CYBMUJFWSA-N 335.354 2.616 30 40 EFEB CN(C(=O)c1cccc(CC#N)c1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 72305463 JVWVONHNTOBJIL-INIZCTEOSA-N 343.427 2.834 30 40 EFEB CCCCCCCCCCCCOC(=O)C[C@H]1NCCNC1=O 97940416 RUKMGTJGNDECEQ-MRXNPFEDSA-N 326.481 2.929 30 40 EFEB in-vitro O=c1oc2ccccc2cc1-c1csc(/C=N\N2CCOCC2)n1 17105997 CBBALGWDAUNOFH-ZDLGFXPLSA-N 341.392 2.583 30 40 EFEB C[C@H]1CN(C(=O)CO/N=C/c2ccc(Cl)c(Cl)c2)C[C@@H](C)O1 20858067 LSMKVBMNINCJND-ZHPARKLMSA-N 345.226 2.980 30 40 EFEB N#Cc1cnn2c(O)cc(CSc3ncnc4ccsc34)nc12 32931636 VLHUDRYNQMUZEH-UHFFFAOYSA-N 340.393 2.604 30 40 EFEB COc1cc(C(=O)Nc2ccccc2C#N)c([N+](=O)[O-])cc1OC 4506279 OJVXDVFMJXSLGQ-UHFFFAOYSA-N 327.296 2.736 30 40 EFEB Cc1csc(CCNC(=O)CSCc2ccc(C#N)cc2)n1 48123342 KJOQSAVURKBIDC-UHFFFAOYSA-N 331.466 2.915 30 40 EFEB N#Cc1cccc(C(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCCC2)c1 58191380 NIPXAYCOFHHQRS-IBGZPJMESA-N 347.418 2.522 30 40 EFEB C=CCn1c(N)nnc1SCC(=O)Nc1ccc(C)c(Cl)c1 45022966 IDBFUKFTJIWQHF-UHFFFAOYSA-N 337.836 2.739 30 40 EFEB N#CCC(=O)Nc1ccc(C(=O)NCCc2c[nH]c3ccccc23)cc1 3477422 WIHXFCYJXKUJPX-UHFFFAOYSA-N 346.390 2.993 30 40 EFEB Cc1ccccc1S(=O)(=O)/N=C(\O)CCNC(=O)OC(C)(C)C 48425095 IMRRQUJTJDMSQM-UHFFFAOYSA-N 342.417 2.555 30 40 EFEB C#CCOc1ccc(NC(=O)NC[C@](C)(O)c2cccs2)cc1 96418074 UTMCZSGGKBHRGO-KRWDZBQOSA-N 330.409 2.789 30 40 EFEB Cc1csc([C@@H](C#N)C(=O)CSc2nnc3n2CCCCC3)n1 7822008 BNECROUIMYWTBZ-NSHDSACASA-N 347.469 2.738 30 40 EFEB COc1ccc(/C=C2/CS(=O)(=O)c3ccccc3C2=O)cc1OC 96792609 UWYJIVUIVALZLZ-LCYFTJDESA-N 344.388 2.757 30 40 EFEB CC/N=C(/NCc1nnc2n1CCC2)N1CCC2(CCC(C)CC2)C1 95963574 JRXDEALDTBAHGY-UHFFFAOYSA-N 344.507 2.592 30 40 EFEB O=S(=O)(/N=C(\O)[C@H]1C[C@@H]1c1cccc(F)c1F)c1cccnc1 76761044 MNSYERLNWIWIBW-NEPJUHHUSA-N 338.335 2.809 30 40 EFEB N#C[C@@]1(CO)[C@H](c2ccccc2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 218055400 NLPBNIVXKUFUDM-IXDOHACOSA-N 347.823 2.782 30 40 EFEB N#CCSCC(=O)N[C@@H]1CCN(c2ccc(Cl)cc2Cl)C1 191274390 XYFAKEJXNZOAMZ-LLVKDONJSA-N 344.267 2.945 30 40 EFEB N#Cc1cc(N2CCC(OC[C@@H]3CCCO3)CC2)ccc1[N+](=O)[O-] 97379175 JBARHMBTYNBASE-INIZCTEOSA-N 331.372 2.631 30 40 EFEB CC1(C)CN(C(=O)Cc2ccc(C#N)nc2)[C@@H]1c1nccn1CC1CC1 606444667 GUCCEXJKFPMDKQ-GOSISDBHSA-N 349.438 2.712 30 40 EFEB N#C[C@H](C(=O)C[C@]12CCCC[C@H]1C2(F)F)C(=O)Nc1ccccn1 585094020 LZXRDVHNFAVUGI-AXAPSJFSSA-N 333.338 2.945 30 40 EFEB Cc1ccc(CNC(=O)[C@H](C#N)C(=O)c2cnn(C(C)(C)C)c2)cc1 101162198 VHTRKKAXJKTPBD-MRXNPFEDSA-N 338.411 2.585 30 40 EFEB C[C@@H](NC(=O)C1(C#N)CCC1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 95398766 MXDUXAJZYGFETL-ZIAGYGMSSA-N 335.448 2.832 30 40 EFEB C=CCOc1cc([C@H]2CC(=O)Nc3nc(N)sc32)ccc1OC 15082061 QGWWLQVPSFVMPU-SNVBAGLBSA-N 331.397 2.773 30 40 EFEB CC(=O)NC(=O)c1cc2ccccc2o/c1=N\c1ccc(C#N)cc1 16890407 JYBRQFUWCUHSEJ-QOCHGBHMSA-N 331.331 2.813 30 40 EFEB CC(C)(C)NC(=O)c1ccc(NCC(=O)NC2(C#N)CCCC2)cc1 40493273 OOXWDMBAKKJZGC-UHFFFAOYSA-N 342.443 2.579 30 40 EFEB CCOc1ccc([C@H]2C3=C(CCCC3=O)Nc3ncnn32)cc1OC 132129 DYKPWVOISBATBO-KRWDZBQOSA-N 340.383 2.707 30 40 EFEB CC(=O)c1ccc(C(=O)Nc2ccc(-n3cc(C#N)c(N)n3)cc2)cc1 95399054 SBFXLXDYRPTIMM-UHFFFAOYSA-N 345.362 2.781 30 40 EFEB CN(C)C(=O)COc1ccc(C(=O)/C=C/c2cccc(O)c2)cc1 7712906 MGIPYMCPHHQSLY-IZZDOVSWSA-N 325.364 2.755 30 40 EFEB Cc1n[nH]c(C)c1[C@@H]1COCCN1C(=O)Nc1ccc(C#N)cc1 95980136 OGKPSBPZTRBLGT-HNNXBMFYSA-N 325.372 2.504 30 40 EFEB Cc1csc(C2=C(N)N([C@@H](C)CCc3ccccc3)CC2=O)n1 12322904 WDQMLTPFNNWPBY-ZDUSSCGKSA-N 327.453 2.985 30 40 EFEB C[C@H](NC(=O)C(C)(C)C#N)c1ccc(CNC(=O)C(C)(C)C#N)cc1 97107834 HPPUKTYMKRYNEX-ZDUSSCGKSA-N 340.427 2.580 30 40 EFEB CN(CC(=O)NCCC#N)[C@@H](c1ccccc1)c1ccc(F)cc1 58415401 PXJGUSROBRFDGI-IBGZPJMESA-N 325.387 2.877 30 40 EFEB CCn1cnnc1-c1cccc(NC(=O)c2ccc(C#N)c(C)n2)c1 25285377 MLXQMUOCOAGVBB-UHFFFAOYSA-N 332.367 2.792 30 40 EFEB CC(C)c1noc([C@@H](C)N2CCN(Cc3ccc(C#N)cc3)CC2)n1 36811553 FPDVPRPSMJADOF-OAHLLOKOSA-N 339.443 2.943 30 40 EFEB CC/C(C)=N/Nc1ccc(S(=O)(=O)N2CCCC2)cc1[N+](=O)[O-] 5158353 VMWKJPSTEGLDAW-RVDMUPIBSA-N 340.405 2.577 30 40 EFEB NC(=S)/C(=N/Nc1cc(Cl)ccc1Cl)C(=O)N1CCCC1 4477730 JMMYNKQHMMBVIA-WQRHYEAKSA-N 345.255 2.670 30 40 EFEB Cc1nc2ncnn2c(O)c1CCSc1ccc(C#N)cc1Cl 96010438 FJJZMOUNFCFTGZ-UHFFFAOYSA-N 345.815 2.998 30 40 EFEB C=CCn1c(SCC(=O)N[C@H](C)C(C)C)nnc1-c1ccncc1 6907640 LSQAFSINXFNMBC-CYBMUJFWSA-N 345.472 2.779 30 40 EFEB Cc1nc(C(C)(C)NS(=O)(=O)c2cccc(C#N)c2)sc1C 76853081 CGGQWYQCDGCMHN-UHFFFAOYSA-N 335.454 2.845 30 40 EFEB Cc1ccc([C@H]2[C@H](S(=O)(=O)c3ccc(C)cc3)[C@@]2(C#N)CO)cc1 225651507 HGWPRNMHYSLDSG-FHWLQOOXSA-N 341.432 2.745 30 40 EFEB N#CC1(C#N)[C@@H](c2ccccn2)O[C@]23CCCCC[C@@H]2[C@@]1(C#N)C(=N)O3 5927709 WZTBGWGNYMAMTR-LTDCPUDJSA-N 347.378 2.981 30 40 EFEB N#Cc1ccc(S(=O)(=O)N(Cc2ccco2)c2ccncc2)cc1 40135565 HHUZLDVCDGOQOR-UHFFFAOYSA-N 339.376 2.942 30 40 EFEB COc1ccc(OC)c([C@@H]2[C@@H]3CCCC[C@]3(O)CCN2CC#N)c1 33652719 QMJFUVFWXGMIAN-UHOSZYNNSA-N 330.428 2.895 30 40 EFEB Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N1CCc2ccccc21 24964029 ZLPVNNKQMBMNIK-UHFFFAOYSA-N 345.406 2.740 30 40 EFEB N#C[C@@H]1CN(c2nccc(C(F)(F)F)n2)CCN1Cc1ccccc1 106912172 STKPGOVFYGJHME-CQSZACIVSA-N 347.344 2.710 30 40 EFEB O=[N+]([O-])c1ccc(/C=N/n2c(-c3cccnc3)n[nH]c2=S)cc1 13109079 GVJYTWHIOKWMLI-LZYBPNLTSA-N 326.341 2.793 30 40 EFEB C=C[C@H](C)[C@@H](NC(=O)c1ccc(Br)c(F)c1)C(=O)OC 95459598 JMWJMCSEJYFOTP-QPUJVOFHSA-N 344.180 2.682 30 40 EFEB COc1ccc(C(=O)O/N=C(\N)c2ccc(Cl)cc2)cc1OC 4171320 LWUNICHTUITLRT-UHFFFAOYSA-N 334.759 2.835 30 40 EFEB CC1=NN(C(=O)COc2ccccc2C#N)[C@@](O)(c2ccc(C)cc2)C1 408562982 HKOUFHNCQUVOPL-FQEVSTJZSA-N 349.390 2.699 30 40 EFEB Cc1ccc(NS(=O)(=O)c2cccc(C#N)c2)c(CN(C)C)c1 79306284 XHEAHHJBJGVPQI-UHFFFAOYSA-N 329.425 2.729 30 40 EFEB C=CCNC(=S)Nc1nc(C)cc(N2CCc3ccccc3C2)n1 225925829 HLPAOWNVUSQCOQ-UHFFFAOYSA-N 339.468 2.820 30 40 EFEB N#Cc1nc([C@@H]2C[C@H]2c2ccccc2)oc1NCCN1CCOCC1 96346002 ZLHNFKOGKNTSHL-JKSUJKDBSA-N 338.411 2.561 30 40 EFEB N#Cc1cccc(C(=O)N2CC3(C[C@H](OCC4CC4)CS3)C2)c1 575403480 LYKOUTCJTJKOTD-INIZCTEOSA-N 328.437 2.685 30 40 EFEB CC(C)c1nc(CN2CCN(c3ccc(C#N)cc3F)CC2)no1 69462002 KZXUMGATANGRFV-UHFFFAOYSA-N 329.379 2.526 30 40 EFEB Cc1ccc(C#N)c(N2CCC(C(=O)N3CCC(F)(F)CC3)CC2)n1 1889095423 CCDTVSUJVMZPLO-UHFFFAOYSA-N 348.397 2.736 30 40 EFEB COC(=O)[C@H]1Oc2c(c(=O)oc3ccccc23)[C@H]1c1ccc(C#N)cc1 85413218 BKGFTIYJADDZJS-QAPCUYQASA-N 347.326 2.731 30 40 EFEB COC(=O)c1cc(/N=C/c2ccccc2O)ccc1N1CCOCC1 100395630 XPZODWKRCJNJRW-DEDYPNTBSA-N 340.379 2.766 30 40 EFEB C=CCc1cc(/C=C2/NC(=O)N(CC=C)C2=O)cc(OCC)c1O 564244 KQBRUQBDEOWCIE-GXDHUFHOSA-N 328.368 2.598 30 40 EFEB Nc1nc(N)c2c(n1)NC1=C(C(=O)CCC1)[C@H]2c1ccc(Cl)cc1 10339101 LQZDTXAEZFXSJP-GFCCVEGCSA-N 341.802 2.859 30 40 EFEB COC(=O)N(C)CC(=O)[C@H](C#N)c1ncc(C(F)(F)F)cc1Cl 58280392 QDVAZNPHILLJGU-QMMMGPOBSA-N 349.696 2.628 30 40 EFEB C[C@@H](NC(=O)COc1ccccc1C#N)c1ccc2c(c1)OCCO2 14077715 CFPCWIQQNXGYBI-CYBMUJFWSA-N 338.363 2.586 30 40 EFEB N#Cc1cccc(N[C@H]2CC(=O)N(c3ccccc3Cl)C2=O)c1 7777705 NGJGWEKCVLQUNZ-AWEZNQCLSA-N 325.755 2.956 30 40 EFEB CNc1nnc(S[C@@H](C)C(=O)N(C)C2(C#N)CCCCC2)s1 8174998 HFNDWKVBCYPHIZ-JTQLQIEISA-N 339.490 2.745 30 40 EFEB C[C@@H](c1ccc(F)cc1F)N1CCN(c2nccnc2C#N)CC1 69629347 LOPZOZMLRHQTQO-LBPRGKRZSA-N 329.354 2.510 30 40 EFEB Cc1ccc(C(=O)N(CCN(C)C)Cc2cccc(C#N)c2)c(C)n1 69623257 RMNZKWVGEVOURD-UHFFFAOYSA-N 336.439 2.774 30 40 EFEB C[C@H](NC(=O)N1CCc2ccccc2[C@@H]1CO)c1cccc(C#N)c1 89905159 VJURVEYQKNIUKG-LIRRHRJNSA-N 335.407 2.921 30 40 EFEB CC(C)COc1ccc(/C=N\NC(N)=S)cc1Br 408605062 WRGOJVWMLAFCEK-UUASQNMZSA-N 330.251 2.651 30 40 EFEB Cc1nn(C)c(-n2cccn2)c1C(=O)Oc1ccc(C#N)c(Cl)c1 188824597 FPTARGTWWZTAMJ-UHFFFAOYSA-N 341.758 2.659 30 40 EFEB CC(C)[C@@H](NC(=O)NCc1ccccc1)C(=O)O[C@H](CC#N)C1CC1 1646916337 ZTQINTCCGHCJLI-IAGOWNOFSA-N 343.427 2.746 30 40 EFEB Cc1cc([C@H](C)NC(=O)CCc2c(C)[nH]c(=O)c(C#N)c2C)c(C)o1 75124489 PHOPSPALNLCJBZ-ZDUSSCGKSA-N 341.411 2.883 30 40 EFEB C/N=C(/NC[C@H]1C[C@H]2CC[C@H]1O2)N1CC[C@@H](c2ccccc2C)C1 108355512 VBKPDDFTALUINZ-YWTNHNAXSA-N 327.472 2.927 30 40 EFEB COc1ccc(C[C@H](C#N)C(=O)Nc2cccc(C)n2)cc1OC 419802 NXLNPCKNGUKDSL-CQSZACIVSA-N 325.368 2.728 30 40 EFEB COC(=O)[C@H]1C(=O)C2=C(C[C@@H]1C)NC(=O)C[C@@H]2c1cccc(Cl)c1 4986722 JHHBTHAUHPMWAV-TURKWSHLSA-N 347.798 2.596 30 40 EFEB CCCCCCCCNC(=O)C(=O)NCc1ccc2c(c1)OCO2 59103786 WBROIPJVFLUMIT-UHFFFAOYSA-N 334.416 2.508 30 40 EFEB N#CC1(NC(=O)CN(Cc2cccs2)C[C@H]2CCCO2)CCCC1 57355080 RKOBWXRLFQLKHA-OAHLLOKOSA-N 347.484 2.682 30 40 EFEB CCN1CCC(N(C(=O)[C@@H](C)Oc2ccccc2C#N)C2CC2)CC1 57371929 KJVGMWWNWNRSGK-OAHLLOKOSA-N 341.455 2.801 30 40 EFEB CCOc1nc2ccccc2nc1[C@@H](C#N)C(=O)NCc1ccccc1 5483998 XDNJGWXWEYQFEL-OAHLLOKOSA-N 346.390 2.952 30 40 EFEB C#Cc1cccc(NC(=O)CN(C)C(=O)c2ccc(C)nc2Cl)c1 95369207 OURCFPZRIZLICB-UHFFFAOYSA-N 341.798 2.735 30 40 EFEB N#Cc1cc(NC(=O)C[C@@H]2C=CCC2)ccc1N1CCC(O)CC1 75180844 DTMPQNREFWAMHD-CQSZACIVSA-N 325.412 2.814 30 40 EFEB N#Cc1c(N2CCN(c3ncccn3)CC2)nsc1-c1ccccc1 46087923 VVFDRYXFGLVHTN-UHFFFAOYSA-N 348.435 2.798 30 40 EFEB C=CCN1C(=O)/C(=C/c2ccc(OCC(C)C)cc2)C(=O)NC1=S 223742885 INWVYVLIZKDOBE-XNTDXEJSSA-N 344.436 2.534 30 40 EFEB C=CCN1CCN(C(=O)NCc2cccnc2)Cc2ccc(C)nc21 96199062 XEUFXHGUQDOHOY-UHFFFAOYSA-N 337.427 2.503 30 40 EFEB C=C(C)C[C@H](C)C(=O)N1CCN(C(=O)[C@@H](C)CC(=C)C)[C@@H](C#N)C1 585127653 GLFFIQDZGJRXNR-ULQDDVLXSA-N 331.460 2.754 30 40 EFEB C[C@@H](Nc1ccc(S(N)(=O)=O)cc1C#N)c1ccc(F)c(F)c1 96426878 ZOYDDNOQWFFVJY-SECBINFHSA-N 337.351 2.657 30 40 EFEB N#Cc1ccc(CN2C(=O)N[C@@]3(CCCc4sccc43)C2=O)cc1 5680294 VXFCKELLOZSYBC-GOSISDBHSA-N 337.404 2.903 30 40 EFEB N#Cc1ccc(CN2CCN(c3nccc(C(F)(F)F)n3)CC2)cc1 24053924 NBMKEXSJWDHIMP-UHFFFAOYSA-N 347.344 2.689 30 40 EFEB C=C1CC[C@]2(O)[C@H]3Cc4ccc(O)c5c4[C@]2(CCN3CC2CC2)[C@@H]1O5 100203394 WJBLNOPPDWQMCH-OTNPHJDUSA-N 339.435 2.513 30 40 EFEB COc1ccc(OC)c(C(=O)/C=C/Nc2ccc(C(N)=O)cc2)c1 44843361 RLDLRMKEUHIAGL-MDZDMXLPSA-N 326.352 2.611 30 40 EFEB CCN1CC[C@H](NC(=O)C(C)(C)C#N)[C@@H]1c1cc(F)c(F)c(F)c1 97083288 UBLWYIUMKXVTOK-ZFWWWQNUSA-N 339.361 2.905 30 40 EFEB CN(Cc1nccs1)[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O 97048464 RDNFOFXEGIBKMN-OAHLLOKOSA-N 326.425 2.642 30 40 EFEB N#CC1(NC(=O)COC(=O)C2(c3ccccc3)CC2)CCCCC1 7489809 WEEVXFBOYIABTB-UHFFFAOYSA-N 326.396 2.604 30 40 EFEB CC(=O)Oc1ccc(-c2c(C#N)c(N)nc(SCC#N)c2C#N)cc1 19880089 IPDXSINYLASWEP-UHFFFAOYSA-N 349.375 2.615 30 40 EFEB CC[C@H]1CN(C(=O)C2CC2)CC[C@H]1NCc1ccc(OC)c(C#N)c1 89948876 LDNYERAMFHJPME-MAUKXSAKSA-N 341.455 2.694 30 40 EFEB O=S(=O)(/N=C(\O)CCCn1cccn1)c1ccccc1Cl 78556478 VKQGNZGXQLSAGX-UHFFFAOYSA-N 327.793 2.662 30 40 EFEB C[C@@H]1O[C@H](C)[C@H](C(=O)N2CCC[C@@](C#N)(c3ccccn3)C2)[C@H]1C 529521744 ZTTRCUDJADTTHT-LSIDRNEPSA-N 327.428 2.525 30 40 EFEB N#Cc1cccc(CN2CCc3ncc(CN4CCCCC4)n3CC2)c1 96196884 UGWWJTCDZPIFMW-UHFFFAOYSA-N 349.482 2.799 30 40 EFEB N#C[C@]1(N)[C@@H](c2ccccc2)[C@H]1S(=O)(=O)c1ccc(Cl)cc1 242574956 NLTUKCSWQLISEX-XHSDSOJGSA-N 332.812 2.501 30 40 EFEB C[C@]12CCC(=O)C=C1CC[C@@H]1C3=CC[C@](O)(C(=O)CO)[C@]3(C)CC[C@H]12 253617502 QMCQLOCQPSAHFY-FNCFORQESA-N 344.451 2.731 30 40 EFEB C=CCNC(=O)N1CC[C@H]2CC(=O)N(C3CCCCC3)CC[C@H]2C1 15672987 JDCLQUHOOOYVRB-HOTGVXAUSA-N 333.476 2.775 30 40 EFEB biogenic,in-vitro Cc1cc(C#N)ccc1S(=O)(=O)N(Cc1ccc(N)cc1)C1CC1 158351318 HGBDXXNHQPGEIA-UHFFFAOYSA-N 341.436 2.802 30 40 EFEB C/C(=N\Nc1cc(-n2cc(C)cn2)ncn1)c1cccc([N+](=O)[O-])c1 4595725 FXFPEPHDYIQZIK-UDWIEESQSA-N 337.343 2.715 30 40 EFEB N#CCCN(Cc1cccnc1)C(=S)NC(=O)C1CCCCC1 5559416 WJOLWHPVENVTDQ-UHFFFAOYSA-N 330.457 2.779 30 40 EFEB CCC[C@H](C)NC(=O)NCCCc1nn2c(C)cc(C)nc2c1C#N 43001529 KXPLXUPGWHHMLC-LBPRGKRZSA-N 342.447 2.638 30 40 EFEB O=S(=O)(O[C@@H]1CC[C@@H]2CC[C@@H]1O2)c1ccc(Br)cc1 104188290 HYWZHBGDFNKYQP-WCFLWFBJSA-N 347.230 2.864 30 40 EFEB C#Cc1cccc(N[C@@H](C)C(=O)N2CCN(Cc3ccccc3)CC2)c1 57849621 ZEYUXVYFTCFZKG-SFHVURJKSA-N 347.462 2.813 30 40 EFEB Cc1ccc([C@H](CNc2oc(C)nc2C#N)N2CCOCC2)cc1 27750081 MIUSUUBJKFQHGR-KRWDZBQOSA-N 326.400 2.649 30 40 EFEB COc1ccc(-c2cc(=NC=C3C(=O)CC(C)(C)CC3=O)[nH][nH]2)cc1 408922980 OPIZVBQHQFVQHQ-UHFFFAOYSA-N 339.395 2.761 30 40 EFEB COCCn1c(C)cc(/C=N/NC(=S)NCc2ccccc2)c1C 6201890 UVMBIKRNZLQOBR-DEDYPNTBSA-N 344.484 2.750 30 40 EFEB C[C@H](Oc1ccc(C#N)cc1)C(=O)Nc1cc(Cl)ccc1C(N)=O 65490630 PHZMRYHYZCENCF-JTQLQIEISA-N 343.770 2.717 30 40 EFEB C[C@H](OC(=O)c1ccc(Cl)nc1)C(=O)Nc1cccc(C#N)c1 6634856 XMSMUPKDQWPWBO-JTQLQIEISA-N 329.743 2.791 30 40 EFEB C#CCN1CCC2(CC1)Nc1ccccc1C(=O)N2Cc1ccco1 69738952 FRGHCSKAMSYYDV-UHFFFAOYSA-N 335.407 2.773 30 40 EFEB COc1cc(C#N)ccc1OCC(=O)Nc1cccc2nsnc12 19077750 SFUXKIZAZBAWNE-UHFFFAOYSA-N 340.364 2.589 30 40 EFEB COC[C@H](C)N/C(=N/Cc1ccccc1)NCCCCN1CCCC1 73552081 OZMNEYLIAZRWOT-SFHVURJKSA-N 346.519 2.633 30 40 EFEB N#Cc1cc(C(F)(F)F)ccc1NCC1CCS(=O)(=O)CC1 95975079 ONXAOWHNMDXLLE-UHFFFAOYSA-N 332.347 2.814 30 40 EFEB Cc1sc(NC(=O)[C@@]2(C)Oc3ccccc3NC2=O)c(C#N)c1C 41545529 RJXKKBHCLTYZMJ-KRWDZBQOSA-N 341.392 2.965 30 40 EFEB C[C@@H]1CCCN(C(=O)Cn2c(C#N)cc(N)c2Cc2ccccc2)C1 225858632 HNBPUEYAZPSDOW-OAHLLOKOSA-N 336.439 2.791 30 40 EFEB N#Cc1ccccc1-c1ccc(CNC(=O)N2CCC[C@H]2CO)cc1 91247462 JMGQOPMTOBQGLE-SFHVURJKSA-N 335.407 2.892 30 40 EFEB Cc1ccc(CN2CC[C@@]3(C[C@H](Nc4cccc(C#N)n4)CO3)C2)o1 96047671 LCBLSLAWGHGKLK-QFBILLFUSA-N 338.411 2.700 30 40 EFEB COc1ccc([C@H]2[C@H](S(=O)(=O)c3ccc(C)cc3)[C@H]2C=O)cc1 242498690 HNVVXYXHMCZPPI-RCCFBDPRSA-N 330.405 2.758 30 40 EFEB CCOc1ccc(S(=O)(=O)/N=C(\O)[C@H](C)SC)cc1OCC 48494096 FJUZHJJKBZRYFV-JTQLQIEISA-N 347.458 2.881 30 40 EFEB CN1N=C(C(=O)Oc2ccc(-c3ccc(C#N)cc3)cc2)CCC1=O 53161037 QFJFFCCELCJLNN-UHFFFAOYSA-N 333.347 2.739 30 40 EFEB C=CCNC(=O)c1ccccc1NC(=O)COc1ccccc1OC 13995713 TWIVFOAZFICFCB-UHFFFAOYSA-N 340.379 2.629 30 40 EFEB COc1cc(Br)cc(/C=N/n2c(C)n[nH]c2=S)c1O 16363385 SDQHHUPDUOIRAH-WLRTZDKTSA-N 343.206 2.608 30 40 EFEB CC(C)Nc1nnc(S[C@H](C)C(=O)N[C@](C)(C#N)C(C)C)s1 3407112 CTQRSVIJSNPLMF-QMTHXVAHSA-N 341.506 2.893 30 40 EFEB C=CCOc1ccc(/C=C2\SC(N3CCOCC3)=NC2=O)cc1 13370374 XLRRVVKABWCRIT-QINSGFPZSA-N 330.409 2.554 30 40 EFEB N#CCCCOC(=O)c1ccc2c(=O)n3c(nc2c1)CCCCCC3 21900791 NWQZLWJUWZKMAY-UHFFFAOYSA-N 339.395 2.974 30 40 EFEB CCN(CC)C(=O)CSc1nc2cc3c(cc2cc1C#N)OCO3 1355124 YHJIDHOXTIEVGY-UHFFFAOYSA-N 343.408 2.796 30 40 EFEB C[C@H](Oc1ccc(C#N)cc1)/C(O)=N/c1nc(-c2ccccn2)n[nH]1 47343283 XXEMFJDYETXUMM-NSHDSACASA-N 334.339 2.794 30 40 EFEB CC(C)c1noc(CN2CCN(Cc3cc(C#N)ccc3F)CC2)n1 23186108 XYJMWAYIJLJQSQ-UHFFFAOYSA-N 343.406 2.522 30 40 EFEB N#CCCN(C(=O)COC(=O)c1ccc(C#N)cc1)c1ccccc1 3219276 ZOYFKKMMJHJQDL-UHFFFAOYSA-N 333.347 2.662 30 40 EFEB C=C1[C@@H]2C[C@@H](O)[C@H]3[C@](CC[C@H]4[C@@](C)(C(=O)O)CCC[C@@]43C)(C2)[C@H]1O 100145214 VRVOLALMVUEAHP-CPNIUBDKSA-N 334.456 2.982 30 40 EFEB CC(=O)c1c(C)[nH]c(C(=O)OCC(=O)Nc2cccc(C#N)c2)c1C 3332344 BEXZSCKJAIPOAZ-UHFFFAOYSA-N 339.351 2.501 30 40 EFEB COc1ccc(CCN2CC(=O)C(c3nc(C)c(C)s3)=C2N)cc1 13690493 BXSLECMEWYCPJD-UHFFFAOYSA-N 343.452 2.523 30 40 EFEB CC(C)(C)OC(=O)N1CCC[C@]1(Cc1ccc(C#N)cc1)C(=O)O 4241165 XXEWRBYLYOPIDB-SFHVURJKSA-N 330.384 2.955 30 40 EFEB N#Cc1cc(Br)ccc1NC[C@]1(CCO)CCOC1 96008519 PCCYRCPIVPIKPB-AWEZNQCLSA-N 325.206 2.522 30 40 EFEB C[C@H](NC(=O)CO/N=C(\N)c1ccccc1Cl)c1ccccc1 6549749 MDBCDKQMWDFWGH-LBPRGKRZSA-N 331.803 2.854 30 40 EFEB COc1ccc(S(=O)(=O)/N=C(\O)c2ccnc(Cl)c2)cc1C 66886884 YEXKJLZUOAQARI-UHFFFAOYSA-N 340.788 2.746 30 40 EFEB COC(=O)c1c(C)[nH]c(C(=O)COc2ccc(C#N)cc2OC)c1C 9437970 PNDQXZBKIKEFSB-UHFFFAOYSA-N 342.351 2.560 30 40 EFEB CN(CCO)c1ccc(/C=N/Nc2c(F)c(F)nc(F)c2F)cc1 8125904 GXLCQMTZMFBJMK-DNTJNYDQSA-N 342.296 2.513 30 40 EFEB C=CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccc(OCCC)cc1 16805183 KOFWZWBMPPMJPC-INIZCTEOSA-N 346.452 2.997 30 40 EFEB C#Cc1cccc(NC(=O)C(=O)NCc2cc3cccc(OC)c3o2)c1 69848889 AECBRHRMAXWHKW-UHFFFAOYSA-N 348.358 2.678 30 40 EFEB Cc1noc(C)c1S(=O)(=O)/N=C(O)/C=C/c1ccc2c(c1)CCO2 84025684 SYLPEZPBLAXUEC-GQCTYLIASA-N 348.380 2.585 30 40 EFEB C#CC[C@@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1C)c1ccccc1 89591306 UBWIFIMPMUOFOP-MRXNPFEDSA-N 344.392 2.946 30 40 EFEB CCc1ccc(S(=O)(=O)Nc2nn(C(C)(C)C)cc2C#N)cc1 75104928 BFPYWGINLCGDPS-UHFFFAOYSA-N 332.429 2.873 30 40 EFEB CCN1CCN(c2c(N)cc(C#N)n2Cc2ccccc2Cl)CC1 225869860 ILWUTZIAYVZWID-UHFFFAOYSA-N 343.862 2.786 30 40 EFEB CN1CC[C@H](COCC2CC2)CC12CN(Cc1ccccc1C#N)C2 248135974 OPJLLTWOMAWALC-SFHVURJKSA-N 339.483 2.881 30 40 EFEB C#CCNC(=O)C[C@@H](NC(=O)c1ccccc1Cl)c1ccccc1 40460962 DNTJHKSFHPCRKJ-QGZVFWFLSA-N 340.810 2.951 30 40 EFEB CC(=O)Nc1cc(C(=O)[C@H](C#N)C(=O)c2occc2C)ccc1F 100830727 KEUPKFKSOAGQMH-LBPRGKRZSA-N 328.299 2.891 30 40 EFEB CCCNC(=O)c1c(/N=C/c2ccc(OC(F)F)cc2)cnn1C 2798329 BSWFJWKOXGHYPP-AWQFTUOYSA-N 336.342 2.912 30 40 EFEB O=S(=O)(/N=C(\O)C[C@@H](c1ccccc1)C(F)(F)F)c1cnc[nH]1 79101505 CVZJZBZIINKLCQ-JTQLQIEISA-N 347.318 2.791 30 40 EFEB C/C(=N\Nc1nncc2ccccc12)c1ccc(S(C)(=O)=O)cc1 23088752 VURLSEGJJOLLJU-XDHOZWIPSA-N 340.408 2.869 30 40 EFEB N#Cc1cccnc1N1CCCN(C(=O)CCC2CCCC2)CC1 55740114 OMASUOKHTRONOB-UHFFFAOYSA-N 326.444 2.962 30 40 EFEB C[C@]1(C(=O)OCC(=O)Nc2ccccc2C#N)CC1(Cl)Cl 3279777 JCRBZQADAXYRGB-CYBMUJFWSA-N 327.167 2.624 30 40 EFEB COc1ccc([C@@H](C#N)NC(=O)C[C@@H](C)n2cccc2)c(OC)c1 95398017 RRNNWJNGZBXPJQ-CZUORRHYSA-N 327.384 2.837 30 40 EFEB C=CCn1c(SCC(=O)N[C@@H](C)C(C)C)nc2ccccc2c1=O 3425206 KBGHOSNFHRXZOZ-ZDUSSCGKSA-N 345.468 2.835 30 40 EFEB Cc1nn(C)c(C)c1NC(=O)[C@H](C)Oc1ccc(C#N)cc1Cl 7858065 LMPZRWXSONPJET-NSHDSACASA-N 332.791 2.968 30 40 EFEB Cc1ccc(-c2nnn([C@@H](C)C(=O)Nc3ccc(C#N)cc3)n2)cc1 9608805 ZNVIBJIFXHRDGF-ZDUSSCGKSA-N 332.367 2.720 30 40 EFEB CC(=O)Nc1cccc(OCCNc2ccc([N+](=O)[O-])cc2C#N)c1 69771605 RXCMKFDAVIZBLE-UHFFFAOYSA-N 340.339 2.916 30 40 EFEB N#CCN1CCC[C@@H]1c1cccc(Nc2nc(C(=O)O)cs2)n1 585289042 MRZRYHZWMRPVCR-GFCCVEGCSA-N 329.385 2.640 30 40 EFEB N#C[C@H]1[C@@H]2CCC3(C[C@H]2CCN1C(=O)c1ccccc1)OCCO3 5808691 ZRESZLJDPVQHDJ-ZACQAIPSSA-N 326.396 2.584 30 40 EFEB CC(C)C#C[C@](O)(C(=O)O[C@@H]1C2CCN(CC2)[C@@H]1C)C1CCCCC1 5954665 QAPPZPYLSRRINH-LKUPVBHCSA-N 347.499 2.983 30 40 EFEB Cc1cccc(NC(=O)C(=O)N(CCC#N)Cc2cccnc2)c1C 163756478 CIWJKELOSVWHHG-UHFFFAOYSA-N 336.395 2.579 30 40 EFEB CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(Cl)c(C#N)c2)cc1 10514745 OXLFOBNFIRSDAS-UHFFFAOYSA-N 349.799 2.971 30 40 EFEB COc1cc(/C=N/c2ccc3[nH]c(=O)[nH]c3c2)ccc1OC(C)=O 243606 ASLTZCBJKZGLCB-GIJQJNRQSA-N 325.324 2.541 30 40 EFEB CCOc1ccc(S(=O)(=O)/N=C(\c2ccccc2)N(C)C)cc1 100871544 QIFLSIVNRTZHRN-ISLYRVAYSA-N 332.425 2.782 30 40 EFEB N#C[C@H](C1CCCCC1)N1CCN(C(=O)c2cc(C3CC3)[nH]n2)CC1 54344883 VVMVHQFDSYGDQC-GOSISDBHSA-N 341.459 2.517 30 40 EFEB N#Cc1ccc(CN2CCN(Cc3nc(-c4ccco4)no3)CC2)cc1 24759176 ABXWYAMZLMGVNL-UHFFFAOYSA-N 349.394 2.519 30 40 EFEB C[C@]1(c2ccc(C#N)cc2)NC(=O)N(C[C@H]2CC2(Cl)Cl)C1=O 12782150 GPWJHJONJQGXLC-BXUZGUMPSA-N 338.194 2.519 30 40 EFEB C#Cc1cccc(NC(=O)c2ccc3c(=O)n(CC)c(S)nc3c2)c1 102827316 UUTBSKFVIAEXLQ-UHFFFAOYSA-N 349.415 2.939 30 40 EFEB CC(C)c1nc([C@@H]2CN(C(=O)C3(C#N)CCCCC3)CCO2)no1 96000821 ZPDPRLJEDFVEPB-ZDUSSCGKSA-N 332.404 2.567 30 40 EFEB CC1(C)Cc2c(C#N)c(N)n(Cc3ccccn3)c(=S)c2CO1 9344388 AQABQIZQHGGTQL-UHFFFAOYSA-N 326.425 2.966 30 40 EFEB CCCCc1nc(N2CCN(C)CC2)c(C#N)c2c1COC(C)(C)C2 95475700 XXPJRVCNSCFGAZ-UHFFFAOYSA-N 342.487 2.899 30 40 EFEB COc1ccc(CCNC(=O)[C@@H](C)O/N=C/c2ccc(F)cc2)cc1 15391977 GVNXTGIMXUXPOZ-CYGNYLSHSA-N 344.386 2.932 30 40 EFEB C[C@H](Oc1ccccc1C#N)C(=O)N1CCCC[C@H]1Cn1cccn1 71865218 WOYVYBODEPKMEA-RDJZCZTQSA-N 338.411 2.603 30 40 EFEB N#Cc1cc(C#N)c(SCCC(=O)Nc2ccc(F)cc2)nc1N 69530433 TZUJAJHVKGQPHA-UHFFFAOYSA-N 341.371 2.667 30 40 EFEB O=S(=O)(/N=C(\O)c1cncc(F)c1)c1ccc(Cl)cc1F 97014667 LQQKSJHZFZVDLB-UHFFFAOYSA-N 332.715 2.707 30 40 EFEB C[C@H]1CCCN(/C(N)=N\C[C@H](C)c2nc(-c3ccccc3)no2)C1 89595489 QEFLDGUHSKTVSB-KBPBESRZSA-N 327.432 2.887 30 40 EFEB CC(C)(/C(O)=N/S(=O)(=O)Cc1ccon1)c1ccc(F)cc1 96446474 AKUCOBGHLYXQAI-UHFFFAOYSA-N 326.349 2.578 30 40 EFEB COC(=O)C1(c2ccccc2)CCN(C(=O)c2ccc(C#N)cc2)CC1 25055834 CLUYDUDDGLOABY-UHFFFAOYSA-N 348.402 2.905 30 40 EFEB Cc1ccccc1C[C@@H](C)C(=O)N[C@@H]1CCN(c2ccncc2C#N)C1 1096387839 BXCBYDWGOAECRJ-VQIMIIECSA-N 348.450 2.835 30 40 EFEB C[S@@](=O)CCNC(=O)c1ccc(Oc2cccc(F)c2C#N)cc1 78765125 YYENYPHXEVGVAQ-DEOSSOPVSA-N 346.383 2.598 30 40 EFEB C#CCN(Cc1ccc(F)cc1)C(=O)c1cccc(S(C)(=O)=O)c1 58342716 QPHLMRLLWDQHMM-UHFFFAOYSA-N 345.395 2.505 30 40 EFEB N#Cc1cnc(SCc2nn(-c3ccccc3)c3c2CCC3)nc1N 58305081 RHKFCZVVCMABCB-UHFFFAOYSA-N 348.435 2.897 30 40 EFEB C=CCNC(=O)c1c(N)n(Cc2ccco2)c2nc3ccccc3nc12 2295112 ZJUXXIKUGRUCCR-UHFFFAOYSA-N 347.378 2.724 30 40 EFEB O=C1CC(c2ccc(F)cc2)CC(=O)C1=C1N[C@H]2CCCC[C@@H]2N1 9287815 GFXFPROGWMTONJ-GJZGRUSLSA-N 328.387 2.557 30 40 EFEB Cc1ccc(S(=O)(=O)Nc2ccc(C#N)cc2F)cc1[N+](=O)[O-] 97020159 KYBMBEAEQVKQTK-UHFFFAOYSA-N 335.316 2.715 30 40 EFEB CS(=O)(=O)Nc1cccc(C(=O)/C=C/c2cc(C#N)cs2)c1 97011742 COMXHJCMKWLMME-AATRIKPKSA-N 332.406 2.887 30 40 EFEB C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43CO)[C@@H]1CC[C@@H]2C(N)=O 118924401 FCKREEZOLFAONZ-WDYSCTGBSA-N 331.456 2.592 30 40 EFEB CCOC(=O)CN1Cc2c(ccc(Cl)c2Cl)N/C1=N\C#N 71606153 ZTQFDKVKDGLGQS-UHFFFAOYSA-N 327.171 2.621 30 40 EFEB C=CCn1c2c(ccc1=O)C[C@@H](NC(=O)c1cccc(Cl)c1)CC2 96260657 SYXMXMMYRSGVQY-INIZCTEOSA-N 342.826 2.975 30 40 EFEB CCn1cc([C@@H]2OCC[C@H]2CNCc2ccc(C#N)cc2F)cn1 591263546 IRDKEZXJSZBHQV-MAUKXSAKSA-N 328.391 2.781 30 40 EFEB COC[C@@H](C)/N=C(/S)N1CCN(c2ccccc2Cl)CC1 13684503 YYBQAKYDSGAGOA-GFCCVEGCSA-N 327.881 2.783 30 40 EFEB C[C@@](C#N)(NC(=O)CN1CCC[C@@H]1CCc1ccccc1)C1CC1 52105957 ZGVSYLWOUBPSAN-QUCCMNQESA-N 325.456 2.892 30 40 EFEB c1ccc(CCN2CNC(=Nc3nc4ccccc4s3)NC2)cc1 1265992 WZKJVAOLRPOKEG-UHFFFAOYSA-N 337.452 2.936 30 40 EFEB N#Cc1c(N2C(=O)[C@@H]3[C@@H]4CC[C@H](O4)[C@@H]3C2=O)sc2c1CCCCC2 101027954 VRJFXZRIQGZEKB-NZBPQXDJSA-N 342.420 2.555 30 40 EFEB COc1ccc(C(=O)/C=C/Nc2cccc(C(N)=O)c2)cc1OC 44843626 DJURQOVNUVUFIQ-CMDGGOBGSA-N 326.352 2.611 30 40 EFEB C#CCOc1ccc(/C=C2\NC(=S)N(CCC)C2=O)cc1OCC 3662668 FGROVYNNXQVAJT-KAMYIIQDSA-N 344.436 2.565 30 40 EFEB CC(C)Oc1cncc(C(=O)[C@@H](C#N)c2nnc3n2CCCCC3)c1 93245314 JGUROMRNTJYTFQ-OAHLLOKOSA-N 339.399 2.677 30 40 EFEB C[C@@H]1CCCN(C(=O)C2CCN(c3ccc(C#N)cn3)CC2)CC1 71841921 JCZTUAWSLDGQJT-OAHLLOKOSA-N 326.444 2.818 30 40 EFEB C[C@H](NC[C@H]1C[C@H](O)CN1Cc1ccccc1)c1ccc(C#N)cc1 97034818 YVZKSRQQUGCBRF-DQLDELGASA-N 335.451 2.844 30 40 EFEB Cc1nn(C)c(Oc2cccnc2)c1NC(=O)C#Cc1ccccc1 89512519 OHPWGSBOEKYHEG-UHFFFAOYSA-N 332.363 2.906 30 40 EFEB CCc1ccc(C(=O)O)cc1S(=O)(=O)Nc1ccc(F)c(C#N)c1 75572937 DPPPALPEDDKOLW-UHFFFAOYSA-N 348.355 2.759 30 40 EFEB C=CCc1ccc(OCC(=O)OCc2ccc(OC)nc2)c(OC)c1 76091005 WBHPAXAWFSYODT-UHFFFAOYSA-N 343.379 2.950 30 40 EFEB O=C(O)c1ccccc1-c1ccc(/C=N/N2C(=O)CSC2=S)o1 409212713 PUODBNLVWWFHSR-FRKPEAEDSA-N 346.389 2.839 30 40 EFEB CCN(C[C@@H](C)C#N)C(=O)c1nnn(-c2ccc3ncccc3c2)c1C 66823620 YDKMIEXSQTZHJJ-ZDUSSCGKSA-N 348.410 2.746 30 40 EFEB CO/N=C/Nc1nc2nccc([C@H](C)Oc3cccc(C)c3)n2n1 3134401 SQQBPGSAEPIFNI-LBPRGKRZSA-N 326.360 2.574 30 40 EFEB Cc1c(C(=O)OCC(=O)NC2(C#N)CCCC2)oc2ccccc12 4581889 CNVCLJMOKHUALY-UHFFFAOYSA-N 326.352 2.851 30 40 EFEB CC(C)[C@@H](NC(=O)Cc1ccccc1)C(=O)Nc1cccc(C#N)c1 11370775 OHCPDGLNZWVAHU-LJQANCHMSA-N 335.407 2.880 30 40 EFEB N#Cc1ccc([C@@H]2C=C(c3ccccc3)Oc3[nH]c(=O)[nH]c(=O)c32)cc1 5735996 MAHIQFYQPQXYKF-HNNXBMFYSA-N 343.342 2.500 30 40 EFEB COc1ccc(S(=O)(=O)/N=C(\O)c2ccc3c(c2)COC3)cc1C 50206798 ZUHUYTXTZSTCBO-UHFFFAOYSA-N 347.392 2.727 30 40 EFEB C[C@H]1CN(c2ccc(CNc3snc(Cl)c3C#N)cn2)CCO1 52245954 NQHHXODPSZSUPQ-JTQLQIEISA-N 349.847 2.900 30 40 EFEB N#CC1(NC(=O)COc2nc(-c3ccccc3Cl)no2)CCCC1 58369272 JORSNEKVJOJASB-UHFFFAOYSA-N 346.774 2.721 30 40 EFEB COc1ccccc1[C@@H](C#N)NC(=O)c1ccc(Cn2ccnc2)o1 95399052 VYQQTFSBKNXLJX-OAHLLOKOSA-N 336.351 2.528 30 40 EFEB Cc1ccccc1[C@@H](C)NC(=O)CCc1c(C)[nH]c(=O)c(C#N)c1C 9314059 XLMYYVJCSIZMMK-CQSZACIVSA-N 337.423 2.982 30 40 EFEB Cc1nc(C(C)C)sc1C(=O)NS(=O)(=O)c1cccc(C#N)c1 69617356 HCCVOARVTAYQQS-UHFFFAOYSA-N 349.437 2.565 30 40 EFEB CN(CC(=O)N[C@H]1C[C@@H]1c1ccccc1Cl)c1ccc(C#N)cn1 69619664 LMAIZCXZYLTPFC-ZBFHGGJFSA-N 340.814 2.715 30 40 EFEB C[C@H]1CC[C@H](C)N1CCN1CCN(Cc2cccc(C#N)c2)CC1 69982844 KTTXVZPKVBOCLW-ROUUACIJSA-N 326.488 2.549 30 40 EFEB N#Cc1c(Cl)nsc1NCCNC(=O)c1c(F)cccc1F 71903134 FXRLQPZUANKTPP-UHFFFAOYSA-N 342.758 2.788 30 40 EFEB Cc1nc2cc(-c3cccc(Br)c3)nn2c(N)c1C#N 408927374 WERYSQLMTZHMGJ-UHFFFAOYSA-N 328.173 2.921 30 40 EFEB N#Cc1ccsc1NC(=O)CN1CCN(c2ccc(F)cc2)CC1 34857955 VCUYOWJNJAHLMR-UHFFFAOYSA-N 344.415 2.520 30 40 EFEB N#CCN(CC(=O)N1CCCc2cc([N+](=O)[O-])ccc21)C1CCCC1 96443426 JKYHMCLQAAEFRK-UHFFFAOYSA-N 342.399 2.642 30 40 EFEB CO[C@@]1(c2nnc(COc3c(C)cc(Cl)cc3C#N)o2)CCOC1 591600042 FSDQHQHLSVEVFW-INIZCTEOSA-N 349.774 2.744 30 40 EFEB C[C@H]1CN(c2ncc(C#N)cc2Cl)CCN1Cc1ccncc1F 2086928195 LLHRZQDTYXNGLK-LBPRGKRZSA-N 345.809 2.851 30 40 EFEB CCS(=O)(=O)c1cccc(NCCOc2cccc(C#N)c2)c1 78903866 VBXOPROVJOLZEH-UHFFFAOYSA-N 330.409 2.843 30 40 EFEB C=CCN1C(=O)[C@@H](C(=O)NC(C)(C)C)[C@@H]2C[C@@]1(C)Oc1ccccc12 4275550 DHNCWQIFLXBPEU-AKCHCHLHSA-N 342.439 2.828 30 40 EFEB N#CCC[C@@H](C#N)CN1C(=O)N[C@]2(CCCCc3ccccc32)C1=O 24981961 VWMVXQHEIIAREB-LIRRHRJNSA-N 336.395 2.604 30 40 EFEB C=C(C)CN(CC)C(=O)NCC1(N2CCCCC2)CCN(C)CC1 95405380 MHXSWSHKQOWCOP-UHFFFAOYSA-N 336.524 2.544 30 40 EFEB C=CCN(Cc1cc(Br)ccc1F)C(=O)c1cn[nH]n1 65607891 QTOUNSXHZPMCBP-UHFFFAOYSA-N 339.168 2.535 30 40 EFEB CC[C@]1(c2ccc(OC)cc2)NC(=O)N(Cc2ccc(C#N)cc2)C1=O 5797574 WNJHCAUIHMODEU-HXUWFJFHSA-N 349.390 2.924 30 40 EFEB Cc1ccccc1N1C(=O)NC(=O)[C@H](C=Nc2ccccc2F)C1=O 408527974 PORDOONRPYUUOM-LBPRGKRZSA-N 339.326 2.736 30 40 EFEB N#Cc1ccc(N2CCN(C(=O)[C@@H]3CCCc4ccccc43)CC2)nc1 71820639 OOFPYDAKSLWMJD-LJQANCHMSA-N 346.434 2.722 30 40 EFEB COc1cccc([C@@H](C)N2CCN(C[C@@H](C#N)CCC#N)CC2)c1 69845062 GPXBFJGMIPYAEG-IAGOWNOFSA-N 326.444 2.817 30 40 EFEB Cc1nc(CN2CCCN(C(=O)C3(C#N)CCCCC3)CC2)cs1 69809673 XIYXGAJRFJUATD-UHFFFAOYSA-N 346.500 2.960 30 40 EFEB CN(C)C(=O)Nc1cccc(C(=O)N[C@H](C#N)c2ccccc2F)c1 72292339 VHIAIAYHSSULSE-MRXNPFEDSA-N 340.358 2.914 30 40 EFEB C=CCOc1ccc(Br)cc1[C@@H]1N[C@H](C(=O)O)CS1 408816405 LMOHLNXFNFVKQP-CMPLNLGQSA-N 344.230 2.802 30 40 EFEB C#CCOc1c(Cl)cc(C=C(C(=O)OC)C(=O)OC)cc1Cl 409044754 DBYSQGAKWSSRAT-UHFFFAOYSA-N 343.162 2.735 30 40 EFEB COc1ccc([C@@H]2[C@H](S(=O)(=O)c3ccccc3)C2(C#N)C#N)cc1 218090994 GNNCNERTUXWPGJ-SJORKVTESA-N 338.388 2.668 30 40 EFEB COC[C@]1(C#N)[C@@H](S(=O)(=O)c2ccccc2)[C@@H]1c1ccc(F)cc1 218448781 JAPSKVJVPSFZDR-BZSNNMDCSA-N 345.395 2.922 30 40 EFEB CCc1cnc(CN(C)[C@H]2CCN(c3sccc3C#N)C2=O)s1 83217124 ZOPXTWFGEOXHHS-ZDUSSCGKSA-N 346.481 2.876 30 40 EFEB CCS(=O)(=O)c1sc(N)c(C#N)c1-c1ccc([N+](=O)[O-])cc1 96532124 WFJWSBWOIHGOFO-UHFFFAOYSA-N 337.382 2.571 30 40 EFEB CN(Cc1nccs1)[C@H]1CCCN(c2ccc(C#N)cc2)C1=O 97048465 RDNFOFXEGIBKMN-HNNXBMFYSA-N 326.425 2.642 30 40 EFEB C=CCn1cnnc1SCc1nc2ccc(Cl)cc2c(=O)[nH]1 11263702 YPIZRXLIIWUMHM-UHFFFAOYSA-N 333.804 2.646 30 40 EFEB C=CCOc1ccc(/C=C2/SC(=S)N(CCC(=O)O)C2=O)cc1 1835893 AEZGVSCOIZTTBC-JLHYYAGUSA-N 349.433 2.927 30 40 EFEB C=CCN(Cc1ccc(OC)cc1)Cc1cc(=O)n2ccsc2n1 54271898 CKWDKHDOLWVXEG-UHFFFAOYSA-N 341.436 2.953 30 40 EFEB CCNC(=S)N/N=C/c1c[nH]c2ccc(Br)cc12 7008340 AXKZYOUZFIBFLS-FRKPEAEDSA-N 325.235 2.748 30 40 EFEB N#CCN(C(=O)COC(=O)C[C@H]1C[C@@H]2CC[C@@H]1C2)c1ccccc1 103100382 MQXIFTFTCLAQHJ-BZUAXINKSA-N 326.396 2.913 30 40 EFEB N#Cc1ccc(C(=O)O)nc1/C=C/c1ccc(-n2cncn2)c(F)c1 44919505 SIGWXBASKCVCTE-DAFODLJHSA-N 335.298 2.542 30 40 EFEB CNC(=O)[C@H](C#N)C(=O)c1ccc(-c2ccc(OC)cc2)cc1F 102762963 IDNQASZFMCXCCI-OAHLLOKOSA-N 326.327 2.570 30 40 EFEB CC(C)N(C)C(=O)[C@@H]1CCCN(C(=O)Nc2ccc(C#N)cc2)C1 63813622 BOEIKAQSBHVIRV-OAHLLOKOSA-N 328.416 2.669 30 40 EFEB Cc1c(N/C=C/C(=O)C(F)(F)F)c(=O)n(-c2ccccc2)n1C 13685961 UHMLMCVLLPYVOJ-CMDGGOBGSA-N 325.290 2.541 30 40 EFEB COc1cc(F)c(NCC(=O)Nc2cccc(C#N)c2)cc1OC 71883986 BSXZFEHCFYCMDS-UHFFFAOYSA-N 329.331 2.765 30 40 EFEB C=C(Cl)CS(=O)(=O)NC(=O)c1ccc(C(F)(F)F)cc1 95997331 KIGQCQUDBLMSCE-UHFFFAOYSA-N 327.711 2.518 30 40 EFEB CCc1cc(N[C@H]2CCC[C@H]2C(N)=O)n2c(nc3ccccc32)c1C#N 75109734 HQFVAFQVSCZTLI-HIFRSBDPSA-N 347.422 2.987 30 40 EFEB COc1cc(NC(=O)CSc2ncccc2C#N)cc(OC)c1 71326945 DTJNCAFQMQCKKQ-UHFFFAOYSA-N 329.381 2.701 30 40 EFEB CS(=O)(=O)OCC1CN(C(c2ccccc2)c2ccccc2)C1 79058302 JCOQDAJMCQWEAH-UHFFFAOYSA-N 331.437 2.684 30 40 EFEB C=CCN(c1ccc(C(=O)N(C)C)cc1)S(=O)(=O)c1ccccc1 224368307 WWYGKEYAHORPJZ-UHFFFAOYSA-N 344.436 2.770 30 40 EFEB CN1C(=O)C[C@H](Nc2cncc(C#N)n2)[C@H]1c1ccc(Cl)c(F)c1 573673333 MCZJTOVKGBUQMM-XJKSGUPXSA-N 345.765 2.525 30 40 EFEB C=CCc1cc(/C=c2\sc3nc4ccccc4n3c2=O)ccc1O 145578790 XABMVQVQDXLWHZ-BOPFTXTBSA-N 334.400 2.891 30 40 EFEB CNC(=O)COc1ccc(/C=C2/Cc3ccccc3C2=O)cc1OC 96307286 OVOMUAAQLKKAPT-DHDCSXOGSA-N 337.375 2.642 30 40 EFEB COc1ccccc1NC(=S)N/N=C/c1cccc([N+](=O)[O-])c1 1094322 DTELUOGGVMYYCD-MHWRWJLKSA-N 330.369 2.924 30 40 EFEB C#CCn1/c(=N/C(=O)c2snnc2C)sc2cc(Cl)ccc21 100875946 SJKQKGMYBPMZQE-PEZBUJJGSA-N 348.840 2.890 30 40 EFEB Cc1cc(C)c(/N=C(\O)CN2CCN(C(=O)C3CC3)CC2)c(C)c1 24592548 SJEQGSYIPDYRLI-UHFFFAOYSA-N 329.444 2.754 30 40 EFEB CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)Nc1cccc(C#N)c1 3284862 ZJNUNNXHJIKUQR-IBGZPJMESA-N 346.390 2.725 30 40 EFEB CCc1nc(CO/N=C(/N)c2ccnc(N3CCCCC3)c2)cs1 58498834 FTGWSBCZFVWXPA-UHFFFAOYSA-N 345.472 2.928 30 40 EFEB Cc1ccc(S(=O)(=O)/N=C2/SCC(=O)N2c2ccccc2)cc1 27692777 GJEAOKHHPJKRDO-WUKNDPDISA-N 346.433 2.820 30 40 EFEB CCc1nnc(NCc2cccc(Cn3cncn3)c2)c(C#N)c1CC 95411922 NIFKJLYRGHXBEV-UHFFFAOYSA-N 347.426 2.725 30 40 EFEB CC(C)(C)CN(CCC#N)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 65590920 FUAKWCIPMCRFAR-UHFFFAOYSA-N 325.390 2.545 30 40 EFEB C#CCN1CCC(C(=O)N[C@@H]2CCOc3c(Cl)cccc32)CC1 65624251 DNQIDTZSUINGAG-MRXNPFEDSA-N 332.831 2.625 30 40 EFEB C[C@@H]1C[C@](O)(C#CC(C)(C)OC(=O)c2ccccc2)[C@H](C)CN1C 4690287 VUEVYIBTFKAOPT-JXXFODFXSA-N 329.440 2.717 30 40 EFEB C=C(C)CN1CCC(NC(=O)NCCc2ccc(N(C)C)cc2)CC1 71879853 MXGUDUYPDOMDFH-UHFFFAOYSA-N 344.503 2.635 30 40 EFEB COc1cc(F)c(NS(=O)(=O)c2cccc(C#N)c2)cc1OC 69534600 DQYJOMQCESWUDQ-UHFFFAOYSA-N 336.344 2.515 30 40 EFEB CCn1cc(/C=N/N2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C2)c2ccccc21 409223579 INXJXUUZWWXROV-ZRFBJPMCSA-N 333.391 2.802 30 40 EFEB N#Cc1ccccc1-c1ccc(CNC(=O)N2CCC[C@@H]2CO)cc1 91247511 JMGQOPMTOBQGLE-GOSISDBHSA-N 335.407 2.892 30 40 EFEB CC(C)N(C)S(=O)(=O)c1ccc(CNc2ccc(C#N)nc2)cc1 96455775 AUDHTPSNXIPLOT-UHFFFAOYSA-N 344.440 2.594 30 40 EFEB Cc1ccc([C@@H]2[C@H](S(=O)(=O)c3ccccc3)[C@]2(C#N)C(=O)O)cc1 252515458 KFNIFYYPNXYJQI-SOLBZPMBSA-N 341.388 2.529 30 40 EFEB C=CCNC(=O)c1ccc(N[C@@H]2CCCC[C@@H]2n2cccn2)nc1 80606582 HKVOPJNFVCJYIF-CVEARBPZSA-N 325.416 2.790 30 40 EFEB CCNC(=O)C[C@H]1S/C(=N\c2ccc(C)c(C)c2)N(CC)C1=O 5795286 OIXPCNIBIZYRAA-RMYFCYLKSA-N 333.457 2.781 30 40 EFEB O=C1[C@H]2[C@@H]3C=C[C@H](CC3)[C@H]2C(=O)N1/N=C/c1ccc(Br)o1 169616509 PUQOAMYQHUAWOD-VFYAAFDOSA-N 349.184 2.573 30 40 EFEB CC1=CC(=O)C[C@H]2[C@]3(C[C@@H](c4ccoc4)OC3=O)[C@@H](C)CC[C@]12O 253389878 DLHZVTVUHATYAU-YFSJWDDJSA-N 330.380 2.950 30 40 EFEB biogenic,in-vitro COc1ccc(-c2c(C#N)c(S)nc(C)c2C(=O)N(C)C)cc1 1889139380 OYPISDQNDIYACP-UHFFFAOYSA-N 327.409 2.928 30 40 EFEB C#C[C@H]1CN2CC[C@H]1C[C@@H]2CNC(=S)Nc1cc(C)cc(C)c1 8254618 CGJFBNCDNSFFSQ-XYJFISCASA-N 327.497 2.933 30 40 EFEB biogenic,in-vitro C#CCN1CCCC[C@H]1C(=O)N[C@@H]1CCOc2c(Cl)cccc21 56251907 UPFLZIQEQFOMPS-CVEARBPZSA-N 332.831 2.768 30 40 EFEB Cc1cnn(C[C@@H]2CCCN2C(=O)c2cn(CC#N)c3ccccc23)c1 72233961 PWDICDZFBKBPTJ-INIZCTEOSA-N 347.422 2.975 30 40 EFEB C#CCN(Cc1ccc(C)cc1)C(=O)NCc1ccnc(N(C)C)c1 64412962 QPACECGOQQYUMZ-UHFFFAOYSA-N 336.439 2.801 30 40 EFEB C=CCOc1ccc([C@@H]2NC(=S)NC(C)=C2C(=O)OCC)cc1 14877621 BZQMLCVBYWPRFJ-HNNXBMFYSA-N 332.425 2.607 30 40 EFEB Cc1nc(SCn2nnc3ccccc3c2=O)c(C#N)c(C)c1C 7060480 FZLBXFBKPZAAJB-UHFFFAOYSA-N 337.408 2.733 30 40 EFEB CC(C)(C)/N=C(\N)SCc1nc2sc3c(c2c(=O)[nH]1)CCC3 7286536 GOCABCRLWDKIAU-UHFFFAOYSA-N 336.486 2.820 30 40 EFEB C#CCN1CCC(C(=O)Nc2ccc3c(c2)O[C@@](C)(CC)O3)CC1 97104347 XDJOFKGRHGZEDK-IBGZPJMESA-N 328.412 2.868 30 40 EFEB COc1ccccc1[C@@H](C#N)NC(=O)c1ccc(F)cc1[N+](=O)[O-] 95982295 AXLDSORMEHMUDM-CYBMUJFWSA-N 329.287 2.737 30 40 EFEB C[C@H]1CN(c2ccc(NC(=O)N(C)CCC#N)cc2F)C[C@@H](C)O1 75572828 GVKLZLXSQFZZQL-BETUJISGSA-N 334.395 2.817 30 40 EFEB C=CCOc1cccc(/C=N/N2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3CC2)c1 408591930 WNYQYYUAUCBDTJ-AYRSCHFASA-N 336.391 2.783 30 40 EFEB O=C1[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C[C@@H]34)[C@H]2C(=O)N1/N=C/c1cccc(Cl)c1 409084363 VGPOULNINBBTGE-NNTZHCNHSA-N 326.783 2.727 30 40 EFEB C=CCNC(=O)[C@@]1(Cc2ccccc2-c2ccsc2)CNCCO1 72389356 PEQVLTGYXYOSGZ-LJQANCHMSA-N 342.464 2.618 30 40 EFEB N#Cc1cnc(N2CCN(c3ccc(C4CC4)nn3)CC2)c(Cl)c1 1776008732 OBVPFHIIHWHQMX-UHFFFAOYSA-N 340.818 2.601 30 40 EFEB N#Cc1ccc(N2C[C@@H]3CCN(c4nccc5occc45)[C@H]3C2)nc1 1889179526 HGLXYXRAIGTFGN-HOCLYGCPSA-N 331.379 2.810 30 40 EFEB C=CCN1C(=O)[C@@H](C)S/C1=N/S(=O)(=O)c1ccc(Cl)cc1 100887857 WOTXYJUJKKQKRL-FHGZOZNJSA-N 344.845 2.535 30 40 EFEB C[C@@H](Oc1ccccc1C#N)C(=O)Nc1cccnc1N1CCCC1 40553160 QHJPDNSEFMXXJJ-CQSZACIVSA-N 336.395 2.959 30 40 EFEB C=CC[C@H]1N(c2ccccc2Cl)C(=O)[C@@H]2[C@@H](C(=O)O)[C@H]3C=C[C@]21O3 1026077 WUUOXQDEXRFYJX-KAYRBKQESA-N 345.782 2.656 30 40 EFEB C=CCc1cc(CN2CCN(c3ccccn3)CC2)c(O)c(OC)c1 23702798 KSXUTCVZBGFOJD-UHFFFAOYSA-N 339.439 2.847 30 40 EFEB CCN(CC)CCn1c(N)c(C#N)c2c(c1=S)COC(C)(C)C2 9304931 OWEJENGWUDJMKG-UHFFFAOYSA-N 334.489 2.865 30 40 EFEB O=C1Nc2ccccc2C(=O)/C1=C/NC(=S)NC1CCCCC1 102982701 HSIYRRXTEKQOPO-RAXLEYEMSA-N 329.425 2.502 30 40 EFEB CCSC(=N)N/N=C/c1cc(Br)c(O)c(OC)c1 5960435 JFRRVSNHPDRKIC-MKMNVTDBSA-N 332.223 2.775 30 40 EFEB C#CCOc1ccc(N(C)C(=O)CCNC(=O)c2cccs2)cc1 70039555 YCBWWQOYJFNTID-UHFFFAOYSA-N 342.420 2.543 30 40 EFEB COc1cc(CN(C)CC(=O)N[C@](C)(C#N)C(C)C)ccc1SC 69419740 GJCGXVBAYBKJTA-GOSISDBHSA-N 349.500 2.903 30 40 EFEB C[C@H]1CC[C@@H](CCC(=O)NC2CCN(c3ccc(C#N)cc3)CC2)O1 95962353 RTRGVDVJRSEEBO-KXBFYZLASA-N 341.455 2.991 30 40 EFEB N#Cc1cccc(Cn2cc([C@H]3OCCN3Cc3ccccc3)nn2)c1 216772848 YIEDZHMIQFRAFF-HXUWFJFHSA-N 345.406 2.729 30 40 EFEB C=C(C)C[C@]1(C)COS(=O)(=O)N1C(=O)OCc1ccccc1 2362803176 KQWFRDCGXHGZCO-OAHLLOKOSA-N 325.386 2.625 30 40 EFEB C#CC1(O)CCN(C(=O)c2ccc(CN(CC)C(C)C)cc2)CC1 585131388 UHXWYRJBRCOWAU-UHFFFAOYSA-N 328.456 2.517 30 40 EFEB COCc1cc(C)nc(N/N=C/c2cc(OC)ccc2OC)c1C#N 5128089 AHXXVLOSZPGIBH-KEBDBYFISA-N 340.383 2.871 30 40 EFEB Cc1cccc(NC(=O)C(=O)N(CCC#N)Cc2ccco2)c1C 164248979 MWWGADPHAKSGLT-UHFFFAOYSA-N 325.368 2.777 30 40 EFEB CS(=O)(=O)c1ccccc1C(=O)Nc1sc2c(c1C#N)CCC2 5222947 OSMUTBFHCJVEGV-UHFFFAOYSA-N 346.433 2.764 30 40 EFEB O=C(/N=C1/N=C(O)CN1)c1ccc(-c2nc3ccccc3s2)o1 50222466 XMJIJXQGHYGDNZ-UHFFFAOYSA-N 326.337 2.612 30 40 EFEB N#CCC[C@H](C#N)CN1CCN(c2ccc(C(F)(F)F)cn2)CC1 32514504 QHMKNJNURMDVQJ-CYBMUJFWSA-N 337.349 2.666 30 40 EFEB C#CCN1CCC(C(=O)NC[C@@H](C)Oc2ccccc2Cl)CC1 78226687 GGNBSQUTEALWAP-CQSZACIVSA-N 334.847 2.569 30 40 EFEB CC/N=C1\S/C(=C/c2ccccc2N2CCOCC2)C(=O)N1CC 59105235 DTVXUKQRCHUTOA-XLTGVJEBSA-N 345.468 2.835 30 40 EFEB CNC(=O)[C@H](C#N)C(=O)c1cccc(OCc2ccc(Cl)cc2)c1 102765840 OJJRUMNWKAVPBU-MRXNPFEDSA-N 342.782 2.987 30 40 EFEB C=C(Br)CNC(=O)Nc1ccc2c(c1)CCN2C(C)=O 49300228 SWSJZINUSUHLEQ-UHFFFAOYSA-N 338.205 2.626 30 40 EFEB CCN(C[C@@H](C)C#N)C(=O)Nc1ccc(N2CCOCC2)cc1C 72309831 IWXVPGCTRWQXJY-AWEZNQCLSA-N 330.432 2.845 30 40 EFEB CCCCCCCOc1ccccc1C=C1C(=O)NC(=S)NC1=O 408736911 CRGBXHWIJFHIPV-UHFFFAOYSA-N 346.452 2.950 30 40 EFEB CCn1c(C)nnc1S[C@H]1CCCN(c2ccc(C#N)cc2)C1=O 97047672 QMECFLGKUUQWRM-HNNXBMFYSA-N 341.440 2.766 30 40 EFEB Cc1ccn2c(/N=C(\O)C3=NN(c4ccccc4)C(=O)CC3)nnc2c1 88255150 LQERTFZIUMZHBD-UHFFFAOYSA-N 348.366 2.809 30 40 EFEB C=C[C@@H](C(=O)N1CCC[C@H](CNC(=O)C(C)C)C1)c1ccccc1 1616037557 CWZNJRKMDIDNEK-SJLPKXTDSA-N 328.456 2.967 30 40 EFEB CC1=CN2C3=C(C(=O)CCC3)C3(O[C@@H]2C=C1)C(=O)c1ccccc1C3=O 12416800 LZUITDAALALWKS-QGZVFWFLSA-N 347.370 2.943 30 40 EFEB C=C1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@@H]1O5 22129845 WJBLNOPPDWQMCH-RZXSNQJFSA-N 339.435 2.513 30 40 EFEB biogenic,in-vitro N#Cc1c(CCCNC(=O)C[C@H]2C=CCC2)nn(-c2ccccc2)c1N 31566425 GQIIRWNYORFPLC-HNNXBMFYSA-N 349.438 2.731 30 40 EFEB CCOC(=O)c1c(NN=C(C(C)=O)C(C)=O)sc2c1CCCC2 478371 AJOZEUYTRFZVEP-UHFFFAOYSA-N 336.413 2.750 30 40 EFEB C=CCNC(=O)c1ccccc1N(Cc1ccccc1)S(C)(=O)=O 4893496 NMJVOQMBMBLQBB-UHFFFAOYSA-N 344.436 2.569 30 40 EFEB C=CCCC(=O)N1CCC[C@@]2(CC1)CCN(Cc1ccncc1)C2=O 108533580 QYSXFMOVHZMFQJ-HXUWFJFHSA-N 341.455 2.779 30 40 EFEB C/N=C(/NCCCO[C@H](C)c1ccccc1)NCc1ccccn1 95350525 RAHHOGMJWTUBAR-MRXNPFEDSA-N 326.444 2.915 30 40 EFEB C[C@@H](Oc1ccc(C#N)cc1)C(=O)NCc1cnn(-c2ccccc2)c1 11564724 GZNNWBCQJHXACG-OAHLLOKOSA-N 346.390 2.828 30 40 EFEB COc1ccc(Cl)cc1/C(O)=N/S(=O)(=O)c1c(C)noc1C 48490398 IIIJBSKDZRADKW-UHFFFAOYSA-N 344.776 2.647 30 40 EFEB COc1cccc(-n2ncc3c(N/N=C/c4ccncc4)ncnc32)c1 14946121 PVIMTNAWPMEBAK-LSHDLFTRSA-N 345.366 2.665 30 40 EFEB Cc1cs/c(=N\S(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)[nH]1 83577145 HSGIYVVPWPUBAU-UHFFFAOYSA-N 347.343 2.565 30 40 EFEB N#Cc1ccccc1COC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 7463066 LFPLNCJCEKFMLU-UHFFFAOYSA-N 340.291 2.595 30 40 EFEB C=CCNC(=O)c1ccc(N[C@@H]2CCCC[C@H]2n2cccn2)nc1 80606584 HKVOPJNFVCJYIF-HZPDHXFCSA-N 325.416 2.790 30 40 EFEB N#CCCN(C(=O)COC1CCCC1)c1ccc2c(c1)OCCO2 71900174 XDZBKKOPZKPGNL-UHFFFAOYSA-N 330.384 2.664 30 40 EFEB Cc1c(C(=O)N[C@H](C)CC#N)cc(Br)cc1[N+](=O)[O-] 97147789 NYUWKRWURFRJDR-SSDOTTSWSA-N 326.150 2.698 30 40 EFEB CC(=O)c1ccc(C#N)c(NC[C@@H]2C[C@H](O)CN2Cc2ccccc2)c1 97109492 ZRKDYNCEULVHNE-PMACEKPBSA-N 349.434 2.808 30 40 EFEB N#CCCN(C(=O)[C@H]1C[C@@H]1c1cccnc1)c1ccc2c(c1)OCCO2 79000378 XUKHIMQOYRKYAT-SJORKVTESA-N 349.390 2.903 30 40 EFEB C#CCN1CCCN(C(=O)Cc2c[nH]c3cccc(Cl)c23)CC1 585117890 ZSYVKOXJEOQOBL-UHFFFAOYSA-N 329.831 2.531 30 40 EFEB CC[S@](=O)[C@@H]1CCC[C@@H](NC(=O)N[C@H](C)c2cccc(C#N)c2)C1 245316690 KDYGEGIQKDNWCJ-MHIZOLSUSA-N 347.484 2.998 30 40 EFEB C[C@H]1Oc2c(cccc2C(=O)[C@H](C#N)c2nc3ccccc3[nH]2)NC1=O 390834636 JVCRYSNRRIQKKK-PWSUYJOCSA-N 346.346 2.772 30 40 EFEB N#C[C@@H](C(=O)CCn1ccc2ccccc21)C(=O)Nc1ccccn1 103717572 XAXCPBYBMKVUOD-HNNXBMFYSA-N 332.363 2.774 30 40 EFEB Cc1ccc(C#N)c(NC[C@@H](O)c2cc(Cl)c3c(c2)OCCO3)n1 161532331 JKHDHCSRRHDTAF-CQSZACIVSA-N 345.786 2.832 30 40 EFEB N#CC1(C(=O)N2CCc3ncnc(-c4cccnc4)c3C2)CCCC1 1565556657 YPNQGANOVFAFHQ-UHFFFAOYSA-N 333.395 2.507 30 40 EFEB Cc1csc(N2CCN(c3ccc([N+](=O)[O-])cc3C#N)CC2)n1 24659217 ODPCOAURVDZQSA-UHFFFAOYSA-N 329.385 2.558 30 40 EFEB N#Cc1cccnc1NC[C@H](c1ccc(F)cc1)N1CCOCC1 48308891 SXJWUIFGUHLGQZ-QGZVFWFLSA-N 326.375 2.578 30 40 EFEB C=CCSc1nc2c(c(=O)[nH]1)[C@@H](c1cccc(OC)c1)CC(=O)N2 4944391 HBPXFAHAMVHAAC-GFCCVEGCSA-N 343.408 2.531 30 40 EFEB C#CCNC(=O)c1cc2c(C)nn(Cc3ccc(F)cc3)c2s1 17797398 HSLVXWODHSXWOS-UHFFFAOYSA-N 327.384 2.957 30 40 EFEB COc1cc(/C=N/Nc2nc(C)cc(=O)[nH]2)ccc1OCCC(C)C 17823277 SOUCCRHMSBYSFV-YBFXNURJSA-N 344.415 2.958 30 40 EFEB C=C(C)CN1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1 72288457 ATFQRSRYVKUYJP-UHFFFAOYSA-N 349.283 2.876 30 40 EFEB Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N[C@H](C)Cc1cccs1 72277049 JWFCVSDWBOVYHE-LLVKDONJSA-N 343.452 2.605 30 40 EFEB CC/N=C(/NC[C@@H](C)c1ccc(F)c(F)c1)NC[C@H]1CCN(C)C1 95963525 NDWVMTDZPANZTF-ZIAGYGMSSA-N 338.446 2.575 30 40 EFEB Cc1nc(CN2CCN(C(=O)Nc3cccc(C#N)c3)CC2)oc1C 89558349 KCGJGYTTZQUAQH-UHFFFAOYSA-N 339.399 2.513 30 40 EFEB CCC(=O)N1CCN([C@H](C#N)c2ccc(Br)cc2)CC1 89941725 OENRPGAMSDSNHR-CQSZACIVSA-N 336.233 2.568 30 40 EFEB C=CCOc1c(/C=C2\SC(=O)N(CCOC)C2=O)cccc1OC 408529698 IZUKYMLIQMJLLF-KAMYIIQDSA-N 349.408 2.943 30 40 EFEB N#Cc1cc(NC[C@@H](c2cccc(F)c2)N2CCOCC2)ccn1 283919241 WZXLZTMLFICZFF-SFHVURJKSA-N 326.375 2.578 30 40 EFEB CCc1ncnc(N2CCC[C@H](COc3cc(C#N)ccn3)C2)c1F 1776008049 VBSODACDPKATAL-AWEZNQCLSA-N 341.390 2.740 30 40 EFEB N#Cc1ccc(Cn2nc(-c3nccc4ccccc34)oc2=O)cc1 13565822 YOCKYXHDCLVGFI-UHFFFAOYSA-N 328.331 2.971 30 40 EFEB N#CC1(C(=O)N2CCc3c(COCC4CC4)cncc3C2)CCCC1 1565553276 RDSWEWPNYHAVLR-UHFFFAOYSA-N 339.439 2.977 30 40 EFEB CC[C@@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)CN(C)C(=O)OC)cc1 102898544 FNLYXVGLNRZJFZ-DOMZBBRYSA-N 345.399 2.546 30 40 EFEB Cc1ccc(C)c(NC(=O)C[C@@H]2S/C(=N\CC(C)C)NC2=O)c1 7883492 STWHYBVLULIYCU-AWEZNQCLSA-N 333.457 2.876 30 40 EFEB N#Cc1ccc(S(=O)(=O)N(Cc2ccccn2)C2CC2)cc1Cl 48237233 QRLUBKBEYGBJPO-UHFFFAOYSA-N 347.827 2.960 30 40 EFEB Cc1ccc(C(=O)NC2CCN(c3ccc(C#N)cc3F)CC2)o1 58315516 ICVRUHFBKFZTLN-UHFFFAOYSA-N 327.359 2.998 30 40 EFEB Cc1ccoc1C(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1 29956498 XRHXUVKZFAKRCP-INIZCTEOSA-N 327.359 2.750 30 40 EFEB C[C@H]1Oc2ccccc2O[C@@H]1/C(O)=N/S(=O)(=O)c1cccs1 48427765 YJHOUKVUGGUIAN-RNCFNFMXSA-N 339.394 2.622 30 40 EFEB C=CCNC(=O)COC(=O)c1c2c(nc3ccccc13)CCCCC2 3590535 QYBGQQIJYRLJSU-UHFFFAOYSA-N 338.407 2.963 30 40 EFEB COc1ccc(C2=NN(C)C(=N)/C2=N/Nc2ccccc2OC)cc1 3767640 FUSLKYFFYGISJO-XWEQLETESA-N 337.383 2.799 30 40 EFEB C=CCON1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@@H]2C1=O 4092579 RBLWRYYMFWBHIM-BTRQGYIVSA-N 331.371 2.996 30 40 EFEB N#Cc1ccc(NC[C@@H]2CCN(CCOc3cccc(C#N)c3)C2)nc1 65502529 CDDRPXRPCJAQHW-SFHVURJKSA-N 347.422 2.638 30 40 EFEB Cc1ccc(OCC(=O)N[C@@H](C#N)c2cnn(-c3ccccc3)c2)cc1 65523875 MWFZVNADCXOJRA-IBGZPJMESA-N 346.390 2.941 30 40 EFEB C[C@@H]1CCc2sc(C(=O)OCC(=O)N[C@@](C)(C#N)C3CC3)cc2C1 5773445 CKLFDWHKARMSLP-ZMZPIMSZSA-N 346.452 2.838 30 40 EFEB C/N=C(/NCc1nc(C)c(C)o1)N[C@@H]1C[C@@H](C)N(c2ccccc2)C1 81210720 DWBXVLYBGVKUCF-CZUORRHYSA-N 341.459 2.624 30 40 EFEB C[C@H]1CN(CC2CCN(Cc3ccc(C#N)cc3)CC2)C[C@H](C)O1 69451247 LAENBUABNKSUGE-IRXDYDNUSA-N 327.472 2.879 30 40 EFEB COc1ccc(/N=C\c2ccc(N3CCOCC3)cc2OC)cn1 409236134 RINNZQVTHXZCNP-UNOMPAQXSA-N 327.384 2.686 30 40 EFEB C#CCn1cc(CN(C)Cc2cn(C)nc2C2CCCCC2)cn1 97373007 HRVLZSACVBZAIS-UHFFFAOYSA-N 325.460 2.930 30 40 EFEB N#Cc1cc(N2CCC[C@@H](CN3CCOCC3)C2)nc2ccccc12 96429498 WXMSMLQIEUFKNX-INIZCTEOSA-N 336.439 2.655 30 40 EFEB N#Cc1ccccc1N1CCCN(C(=O)[C@@H]2CCc3cccnc32)CC1 591815687 UNCTVEIJSDQTPR-GOSISDBHSA-N 346.434 2.722 30 40 EFEB N#Cc1cccc(N2CCC(Oc3nccc(C(F)(F)F)n3)CC2)n1 1776009810 RTKSRVQMVWLFCO-UHFFFAOYSA-N 349.316 2.810 30 40 EFEB C#CCOc1ccc(F)cc1NC(=O)NC[C@H](O)c1ccsc1 76081958 HPPRTIZBVOTXSW-AWEZNQCLSA-N 334.372 2.754 30 40 EFEB C=CCN1C(=O)/C(=C2/SC(=S)N(CC)C2=O)c2ccccc21 1188799 RHPCSPBTSKRETH-OUKQBFOZSA-N 330.434 2.811 30 40 EFEB C#C[C@@]1(O)[C@H]2CCc3cc(OC)ccc3[C@H]2CC[C@]1(C)C(=O)OC 5029354 RZOOJWWRPOWKMX-PIKOESSRSA-N 328.408 2.679 30 40 EFEB S=C(N/N=C/c1ccc2c(c1)OCO2)Nc1ccc2cn[nH]c2c1 6382934 VMHALVHMSIOVQP-REZTVBANSA-N 339.380 2.612 30 40 EFEB CCOC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)OCC 1847487 UBMQHNSEGKYMTP-UHFFFAOYSA-N 346.170 2.654 30 40 EFEB Cc1c(Cl)c[nH]c(=NCCCCN2C[C@H](C)O[C@@H](C)C2)c1C#N 612085452 MCSHHWBVAPGAJD-STQMWFEESA-N 336.867 2.638 30 40 EFEB Cn1ccnc1C(=O)[C@H](C#N)C(=O)c1ccc(N2CCCCC2)cc1 101989495 NRWDZRISQVGWDL-MRXNPFEDSA-N 336.395 2.616 30 40 EFEB C=CCN1C(=O)N[C@H](c2ccccc2F)C(C(=O)OCCOC)=C1C 32665968 ZQPBPQRNWOZBJN-MRXNPFEDSA-N 348.374 2.542 30 40 EFEB CC1(C)CC(=O)N1CN(Cc1ccc(C#N)cc1)CC(F)(F)F 78876048 KUMLQJAIEDURPE-UHFFFAOYSA-N 325.334 2.891 30 40 EFEB O=C1[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@H]34)[C@H]2C(=O)N1/N=C\c1ccccc1Cl 100201833 UZVXTCIYZHORKC-RWSHCOHYSA-N 326.783 2.727 30 40 EFEB O=C1[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@H]34)[C@H]2C(=O)N1/N=C/c1ccccc1Cl 100201839 UZVXTCIYZHORKC-FGQYIPONSA-N 326.783 2.727 30 40 EFEB Cc1cc(NC(=O)c2[nH]c3c(c2C)C(=O)CCC3)n(CCC#N)n1 58283269 KZIYOZHGGSOWPN-UHFFFAOYSA-N 325.372 2.513 30 40 EFEB COc1cc(OC)cc(/C(O)=N/S(=O)(=O)Cc2ccccc2)c1 48594912 IOUBRYHQVMOLIG-UHFFFAOYSA-N 335.381 2.538 30 40 EFEB CC(C)OC(=O)c1ccc(NS(=O)(=O)c2cccc(C#N)c2)cc1 6316246 DQZBIZCKZNNALB-UHFFFAOYSA-N 344.392 2.924 30 40 EFEB C[C@@H]1CN(C2CCN(c3c(C#N)cnc4ccccc34)CC2)CCO1 91453825 JAVYKXFEYPKTDG-OAHLLOKOSA-N 336.439 2.796 30 40 EFEB C=CCSc1ccccc1NC(=O)CN1CCC(CCO)CC1 69703774 HIMIEVNZNOGIDR-UHFFFAOYSA-N 334.485 2.998 30 40 EFEB N#Cc1ccc(NCC(=O)NCCCCCN2CCCCC2)cc1 69893442 AKVYCHJVKNVNOR-UHFFFAOYSA-N 328.460 2.743 30 40 EFEB C[C@@](O)(CNC(=O)NCc1ccc(C#N)cc1F)c1ccc(F)cc1 95443332 JWWBPPQTHKNMSN-GOSISDBHSA-N 345.349 2.543 30 40 EFEB NC(=O)COc1ccc(/C=N\Nc2nc3ccccc3s2)cc1 409211489 NKLPUVXZERMKQP-NVMNQCDNSA-N 326.381 2.606 30 40 EFEB CC(C)(C)[C@@H](NC(=O)Cn1cnc(C#N)c1C#N)c1cccs1 126193526 BUCJSOACYQREQC-HNNXBMFYSA-N 327.413 2.592 30 40 EFEB CC(C)C(=O)N1CCOC2(CCN(c3cccc(F)c3C#N)CC2)C1 1067620890 JVMMWCWOHDOQNI-UHFFFAOYSA-N 345.418 2.551 30 40 EFEB N#Cc1ccc(N2CCC3(CCC(=O)N3Cc3ccncc3)CC2)nc1 96228201 HRVILABFEWFRRB-UHFFFAOYSA-N 347.422 2.510 30 40 EFEB N#Cc1cccc(C(=O)N2CCC(C(F)(F)F)(C(F)(F)F)C2)n1 589425582 IQVSVTDWLQOQBH-UHFFFAOYSA-N 337.223 2.910 30 40 EFEB N#Cc1ccnc(OC[C@@H]2CCCN(c3ncnc4ncccc34)C2)c1 1776009314 CYMXRICKZDEONV-OAHLLOKOSA-N 346.394 2.587 30 40 EFEB Cc1cccc(C(=O)NCC(=O)N[C@@H](C#N)c2cccc(Cl)c2)c1 97096028 GHUYNJBRWOPFCC-INIZCTEOSA-N 341.798 2.759 30 40 EFEB COC(=O)C/C(C)=N\Nc1ccc(Br)cc1[N+](=O)[O-] 16136652 MTHHBAKEVAIDOI-QPEQYQDCSA-N 330.138 2.708 30 40 EFEB N#Cc1ccc(C(=O)N2C[C@@H](c3ncon3)[C@H](c3ccccc3)C2)cc1 238878130 OOOSDJRRWPWVMN-ZWKOTPCHSA-N 344.374 2.965 30 40 EFEB CCCNC(=O)[C@H](C#N)C(=O)[C@@H](C)Oc1ccccc1C(F)(F)F 100730480 QNNCAPLTGFUXDS-GHMZBOCLSA-N 342.317 2.708 30 40 EFEB CC[C@]1(C)NC(=O)N(/N=C/c2cc(Br)ccc2F)C1=O 33045785 DOKSZCBAUVVNPF-HFVKVNHUSA-N 342.168 2.643 30 40 EFEB CCNc1nnc(S[C@@H]2CCN(c3ccc(C#N)cc3)C2=O)s1 78359316 IPPASDOXHOQCTH-GFCCVEGCSA-N 345.453 2.739 30 40 EFEB COc1cccc(/C=C/C(=O)[C@@H]2C(=O)C=C(C)OC2=O)c1OC(C)C 23162674 XNGAUPBHRUPSQO-KBOKABMXSA-N 344.363 2.711 30 40 EFEB CN(CCOc1ccccc1F)CC(=O)N(C)C1(C#N)CCCCC1 12768607 UYXSOWURJHVOML-UHFFFAOYSA-N 347.434 2.821 30 40 EFEB N#CCOc1ccc(Nc2ccc3nnc(C(F)(F)F)n3n2)cc1 14232839 VDPICOQODUNGNK-UHFFFAOYSA-N 334.261 2.789 30 40 EFEB C[C@@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)c1cccc(CC#N)c1 71890126 HGHMFJYAKQBONM-CQSZACIVSA-N 343.427 2.834 30 40 EFEB O=S(=O)(/N=C(\O)c1cc(C(F)(F)F)ccc1F)c1cccnc1 97015273 SWJSOQLBYCBGGQ-UHFFFAOYSA-N 348.277 2.933 30 40 EFEB N#Cc1cccnc1NCCNc1ccc([N+](=O)[O-])c2cnccc12 36398095 GHTCJTWMBALDDF-UHFFFAOYSA-N 334.339 2.934 30 40 EFEB C[C@@H](Oc1ccccc1)C(=O)NCC#CCN(C)Cc1ccccc1 75165130 AIUKTUZNXFAJGY-GOSISDBHSA-N 336.435 2.706 30 40 EFEB CC(C)(C#N)CNc1c(Br)cccc1S(C)(=O)=O 588014737 URBIDJWKIMIJMT-UHFFFAOYSA-N 331.235 2.814 30 40 EFEB N#Cc1ccc(N2CCC[C@H](N3CCNC3=O)C2)c(C(F)(F)F)c1 78838718 MHFQEQGEOYLHAV-LBPRGKRZSA-N 338.333 2.571 30 40 EFEB CCOC(=O)C1=C(N)OC2=C(C(=O)CCC2)[C@H]1c1ccccc1C 289881 XFAWANPJIDXEJF-OAHLLOKOSA-N 327.380 2.849 30 40 EFEB C=CCNC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1 5295353 JIQOVYYJASQZJV-SFHVURJKSA-N 338.407 2.826 30 40 EFEB C=CCNC(=O)N1CC[C@H]2CC(=O)N(c3ccccc3)CC[C@H]2C1 15672934 QZNUGZWJQIVHNU-HOTGVXAUSA-N 327.428 2.647 30 40 EFEB biogenic,in-vitro CC(C)S(=O)(=O)c1cccc(C(=O)Nc2ccccc2C#N)c1 9621481 AKXVVNSZFYMNTI-UHFFFAOYSA-N 328.393 2.993 30 40 EFEB CC#C[C@@H]1[C@]2(C)[C@@]3(Br)[C@@H](CC)[C@]1(C)S(=O)(=O)[C@@]32C 101377272 IZMOMVHASBKFLY-VZKILSJISA-N 331.275 2.765 30 40 EFEB N/C(=N/O[C@H](c1ccccc1)c1ccc(Cl)cc1)c1nonc1N 59520315 RGVLRALWPQDKNZ-CQSZACIVSA-N 343.774 2.732 30 40 EFEB N#Cc1ccccc1NC(=O)COC(=O)CCC(=O)c1cccs1 3312960 PXLFRSUUTJKEFY-UHFFFAOYSA-N 342.376 2.765 30 40 EFEB COc1ccc([C@H]2NC(=O)NC3=C2C(=O)CC(C)(C)C3)cc1OC 5231375 GUDHMBKCNFNONV-MRXNPFEDSA-N 330.384 2.701 30 40 EFEB N#Cc1ccc(NC[C@H]2CCN(C[C@H](O)c3cccc(F)c3)C2)nc1 65496604 FINNZIGBMIQRMS-QAPCUYQASA-N 340.402 2.560 30 40 EFEB COc1ccccc1/C=C/C(=O)OCC(=O)Nc1ccccc1C#N 6584097 UMCVJMHPDBJOCS-ZHACJKMWSA-N 336.347 2.762 30 40 EFEB N#Cc1ccc(NC(=O)N[C@H](Cc2ccccc2)C(=O)NC2CC2)cc1 69701598 AUVWJTRGBPBJFJ-GOSISDBHSA-N 348.406 2.570 30 40 EFEB C=CCN(C)C[C@H]1CN2CC[C@H]1C[C@@H]2CNC(=O)Nc1ccsc1 67870677 BQZFYIQOFJRJGV-YQQAZPJKSA-N 348.516 2.698 30 40 EFEB biogenic,in-vitro C=CCN1C(=O)/C(=C\c2ccc(OC)cc2OC)C(C(=O)OC)=C1C 408996393 IAUFIJWJEXIJPD-GDNBJRDFSA-N 343.379 2.562 30 40 EFEB N#Cc1c(NC(=O)COC[C@@H]2CCCO2)cccc1OC(F)(F)F 514586437 PFLKNQDWKRUYFA-JTQLQIEISA-N 344.289 2.591 30 40 EFEB COc1ccc(-c2ccc(=O)n(Cc3ccc(C#N)cc3)n2)c(F)c1 44916963 YCQCBDHBRJLLGA-UHFFFAOYSA-N 335.338 2.978 30 40 EFEB Cc1cccc(N2CC[C@@]3(C[C@H](Nc4cccc(C#N)n4)CO3)C2)n1 96072689 JOTUSTRPUHYGJF-QFBILLFUSA-N 335.411 2.507 30 40 EFEB C#CCCN1CCC(NC(=O)Nc2cc(C#N)cn2C(C)(C)C)CC1 72305950 KZSWGJBKGYQGFK-UHFFFAOYSA-N 341.459 2.724 30 40 EFEB C=CCNC(=O)[C@@H](NC(=O)c1ccc(Br)cc1)C(C)C 12766229 LLSXAWJFPWIBER-ZDUSSCGKSA-N 339.233 2.506 30 40 EFEB CC(C)NC(=O)c1ccc(-n2cccn2)c(C#Cc2ccccn2)c1 19450196 PAGOYLGTWPPBPT-UHFFFAOYSA-N 330.391 2.805 30 40 EFEB COC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)OC 1848350217 VRYVBENWDYBLKJ-UHFFFAOYSA-N 340.113 2.940 30 40 EFEB Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N1[C@H]2CCCC[C@@H]2C[C@H]1C 78795612 BUBPEDKEAKFEKE-DWQUBVKVSA-N 341.455 2.976 30 40 EFEB COc1cc(OC)cc([C@H](Nc2ccc(C#N)nc2)c2nccn2C)c1 79021714 YCCNBBDLNODNME-SFHVURJKSA-N 349.394 2.905 30 40 EFEB C#Cc1cccc(NS(=O)(=O)c2cc(C(=O)O)cc(C)c2C)c1 23371051 CVMJOZUOHOFLTQ-UHFFFAOYSA-N 329.377 2.784 30 40 EFEB N#CC1(C#N)[C@H](C(=O)c2ccc(Cl)cc2)[C@@]12CC[C@@H]1CO[C@@H]2O1 100792908 YBGTXIWVFNFQLD-DUFGSWQCSA-N 328.755 2.708 30 40 EFEB COc1cccc(NC(=O)COC(=O)c2ccc(C#N)cc2F)c1 8167697 JGRFOPSEDPZSDF-UHFFFAOYSA-N 328.299 2.501 30 40 EFEB C#CCNC(=O)N1CCC(Oc2cccc(Br)c2)CC1 97115231 LZLDSIODHZHKLH-UHFFFAOYSA-N 337.217 2.635 30 40 EFEB CN(Cc1cccc(C#N)c1)C(=O)c1cc([N+](=O)[O-])ccc1N(C)C 25102864 BGLWRNLEUSNRJE-UHFFFAOYSA-N 338.367 2.805 30 40 EFEB N#Cc1ccc(C(=O)O)nc1/C=C/c1csc(-c2ncccn2)n1 44977992 QWMHWDPUXAUCRN-HWKANZROSA-N 335.348 2.735 30 40 EFEB C[C@H](NC(=O)N1CCN(c2nccs2)CC1)c1ccc(C#N)cc1 44971408 OZKRBQGKWFRMRC-ZDUSSCGKSA-N 341.440 2.608 30 40 EFEB Cc1ccc(S(=O)(=O)/N=C(\O)c2nnc(-c3ccccc3)o2)cc1 2643774 YDRLQTMXUBMAGF-UHFFFAOYSA-N 343.364 2.739 30 40 EFEB NC(=O)[C@@H]1CC(=O)N(Cc2ccccc2)/C(=N/c2ccccc2)S1 2728486 BFMCSGDJLHKAHO-ZJYNUGOYSA-N 339.420 2.694 30 40 EFEB COCc1nn2c(N)c(C#N)nnc2c1-c1cccc2ccccc12 20636146 XYUKKSXRYHWKNS-UHFFFAOYSA-N 330.351 2.545 30 40 EFEB COC(=O)COc1c(C)cc(/C=C/C(=O)c2cn(C)nc2C)cc1C 63874493 YJHGGQQXNZZUIL-VOTSOKGWSA-N 342.395 2.793 30 40 EFEB COC(=O)c1cnn2c1NC1=C(C(=O)CCC1)[C@@H]2c1ccccc1F 49549978 YOFHFDJICSPSHO-INIZCTEOSA-N 341.342 2.831 30 40 EFEB Cc1ccc(C(=O)C2=C(O)C(=O)N[C@@H]2c2ccc3c(c2)OCO3)cc1 6025242 DJUVDTDPLGPNCG-MRXNPFEDSA-N 337.331 2.590 30 40 EFEB C/C(=N\NC(=S)NCc1ccccc1)c1ccc2c(c1)OCO2 5119855 JIGQMHGZFZXSRQ-XDHOZWIPSA-N 327.409 2.804 30 40 EFEB CN1C(=S)S[C@H](/[N+]([O-])=C\C=C\c2ccc([N+](=O)[O-])o2)C1(C)C 4785530 ZBCYQLXJWJSPLI-UAINKPMTSA-N 341.414 2.850 30 40 EFEB C[C@H](Sc1cccc[n+]1[O-])C(=O)Nc1ccc(C#N)c(Cl)c1 15799408 BSGPWMGZLQLUGA-JTQLQIEISA-N 333.800 2.964 30 40 EFEB COCC[C@H](Cc1cccc(Br)c1)C(=O)N(C)CC#N 96420719 GJZZEKXUSBALMZ-CYBMUJFWSA-N 339.233 2.626 30 40 EFEB C#Cc1cccc(N(Cc2ccco2)C(=O)COC[C@H]2CCCO2)c1 72282007 ODGYIGQSHNEQMB-LJQANCHMSA-N 339.391 2.990 30 40 EFEB C#CCn1cc(C=Nn2c(O)nc3ccccc3c2=O)c2ccccc21 409359835 NWVBTHMJOZDHCY-UHFFFAOYSA-N 342.358 2.572 30 40 EFEB CN(C)/C(N)=N/C[C@@H](c1ccccc1)N1CCc2sccc2C1 170903994 OWFGGXDWHLCUMG-INIZCTEOSA-N 328.485 2.724 30 40 EFEB Cc1cc(C)n(-c2ccc(C/N=C(\N)N(C)C)c(C(F)(F)F)c2)n1 170911048 NCAJRPGGFUKQRY-UHFFFAOYSA-N 339.365 2.884 30 40 EFEB O=C(O)c1ccc(/C=N\Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 35771496 OAPJJTZEZJOURT-NVNXTCNLSA-N 330.256 2.647 30 40 EFEB N#Cc1cccc(/C=C/C(=O)NCCCc2nnc3n2CCCCC3)c1 79050652 KTBGRDBJTRRFDK-ZHACJKMWSA-N 349.438 2.638 30 40 EFEB COc1ccc([C@H](CN[C@@H]2CCC[C@H](C#N)C2)N2CCOCC2)cc1 185757628 ZGINJGQDPRBLHO-HQRMLTQVSA-N 343.471 2.740 30 40 EFEB N#Cc1cccc(CNc2cccc(CN3CCC[C@H](C(N)=O)C3)c2)c1 96482849 NCHYAEADKXGYMA-IBGZPJMESA-N 348.450 2.868 30 40 EFEB Cc1cc(C(=O)N2CC[C@H](N(C)c3cccc(C#N)c3)C2)ns1 585130165 JTLKSHHDPDOIQO-HNNXBMFYSA-N 326.425 2.674 30 40 EFEB COc1cc(C=O)ccc1OCCC(=O)NCCC#C[Si](C)(C)C 585126998 MXFQDSDAICOEQH-UHFFFAOYSA-N 347.487 2.664 30 40 EFEB C=CCN1C(=O)CCCC12CCN(C(=O)c1cccc(F)c1)CC2 96158599 QROXNYMXPWWYFU-UHFFFAOYSA-N 330.403 2.999 30 40 EFEB N#Cc1ccc(OC2CCN(C(=O)Cc3cccs3)CC2)nc1 90607631 PVMVXFRGUYKGGQ-UHFFFAOYSA-N 327.409 2.627 30 40 EFEB CN(C)/C=C(\C(=O)c1ccccc1F)c1nnnn1-c1ccccc1 5341978 HQJHUFWGTIGJRJ-NTCAYCPXSA-N 337.358 2.587 30 40 EFEB COc1ccc(CNS(=O)(=O)c2ccc(Cl)c(C#N)c2)cc1 32932949 IEWNMPJUAWFDAU-UHFFFAOYSA-N 336.800 2.699 30 40 EFEB C=CCn1c(SCC(=O)c2ccccc2)nnc1-c1cnccn1 526864 AIWVAXRIQFHACO-UHFFFAOYSA-N 337.408 2.896 30 40 EFEB Cc1cccc2cc(C#N)c(SCC(=O)NC[C@@H]3CCCO3)nc12 410790 HKLLGDGHTQAYBR-HNNXBMFYSA-N 341.436 2.802 30 40 EFEB N#Cc1cccnc1NCCNC(=O)Cc1cccc(C(F)(F)F)c1 47252816 WYXVKDISUDKUGU-UHFFFAOYSA-N 348.328 2.743 30 40 EFEB C=C(C)c1nc(N)nc(-c2cccc(-c3nc(N)nc(C(=C)C)n3)c2)n1 1585320 ZSDCWXZDTYXEAE-UHFFFAOYSA-N 346.398 2.621 30 40 EFEB O=C(O)COc1ccc(/C=C/C(=O)c2ccc3c(c2)OCCO3)cc1 7745447 MLKISVYAUDDCMN-XVNBXDOJSA-N 340.331 2.817 30 40 EFEB CC/C(C)=N/N=c1/[nH]c2c(N3CCN(C(C)=O)CC3)cccc2s1 57327929 DLFRUSOPIVEECH-XDHOZWIPSA-N 345.472 2.585 30 40 EFEB CN(C)S(=O)(=O)c1cccc(C(=O)/C=C/c2cccc(O)c2)c1 44027781 XLLAWPMJXGHUNF-MDZDMXLPSA-N 331.393 2.539 30 40 EFEB COCC/N=C(\S)N1CCN(c2cccc(C(F)(F)F)c2)CC1 13556204 IWQWTWCBGIKVNO-UHFFFAOYSA-N 347.406 2.760 30 40 EFEB Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N[C@H]1CCCc2ccccc21 5270107 ZKSJRHUYDNEJTH-IBGZPJMESA-N 349.434 2.990 30 40 EFEB CCN(CC)S(=O)(=O)c1ccc(N/N=C/c2cccc(C)c2)nc1 6784346 FNXREPPJCFPKMD-XDHOZWIPSA-N 346.456 2.867 30 40 EFEB COCCN(Cc1ccc(C#N)cc1)Cc1cn2c(C)cc(C)nc2n1 69536459 FCUFLGSRYQFFNP-UHFFFAOYSA-N 349.438 2.866 30 40 EFEB Cc1nc(C)n(C[C@@H]2CCCCN2CCOc2cccc(C#N)c2)n1 69629471 GCESGLQLOBQSDL-SFHVURJKSA-N 339.443 2.700 30 40 EFEB N#Cc1c(Cl)nsc1N[C@H]1CC(=O)N(Cc2ccccc2)C1 69737675 MUSYLINHIMVRPN-NSHDSACASA-N 332.816 2.881 30 40 EFEB COCCC1(C(=O)NC2CCN(c3ccc(C#N)cc3)CC2)CCC1 95414983 XVTHQNMVOHNLAM-UHFFFAOYSA-N 341.455 2.850 30 40 EFEB C=CCN/C(=N/C1CCOCC1)NCCCCOCc1ccccc1 89893971 QFGBKVYEWGSYLQ-UHFFFAOYSA-N 345.487 2.884 30 40 EFEB Cc1ccc(S(=O)(=O)[C@@H]2[C@@H](c3ccc(F)cc3)[C@]2(C#N)CO)cc1 218408051 NHOFTUQPJICLKX-KURKYZTESA-N 345.395 2.576 30 40 EFEB CC(C)CCc1noc(Cn2c(C(F)(F)F)ccc(C#N)c2=O)n1 603376895 LBWYTYJQTJBYMC-UHFFFAOYSA-N 340.305 2.759 30 40 EFEB O=C(NCC#CCOc1ccc2c(c1)OCO2)Nc1cccs1 90730937 IOPJGOAAGBLAQL-UHFFFAOYSA-N 330.365 2.681 30 40 EFEB N#Cc1ccc(Nc2nccc([C@H]3CCCN3Cc3cn[nH]c3)n2)cn1 585293199 DJVSBPZZAQZNII-QGZVFWFLSA-N 346.398 2.547 30 40 EFEB COc1ccc(/C(C)=N\NS(=O)(=O)c2ccc(C)cc2)cc1OC 17064186 FLWDNIKWJKNZHV-AQTBWJFISA-N 348.424 2.715 30 40 EFEB CC(C)[C@@](C)(C#N)NC(=O)CSc1nnc(-c2ccccc2)o1 2618410 SLMUQKMEPVWQGG-MRXNPFEDSA-N 330.413 2.883 30 40 EFEB CC(C)c1c(OC(=O)N(C)C)c(C#N)c2[nH]c3ccccc3n2c1=O 1609071 YMQVBPWTUDUKFV-UHFFFAOYSA-N 338.367 2.836 30 40 EFEB Cc1noc(C)c1S(=O)(=O)/N=C(\O)c1cnc(C(C)(C)C)s1 58289561 BNCVYNVYYFOBSG-UHFFFAOYSA-N 343.430 2.739 30 40 EFEB C=CCN1C(=O)/C(=C/c2cn(-c3ccccc3)nn2)SC1=S 58304519 HLGYMARKNJHWGK-LCYFTJDESA-N 328.422 2.655 30 40 EFEB CC1(C)CC(=O)C2=C(C1)O[C@@H]([N+](=O)[O-])[C@@H]2c1ccc([N+](=O)[O-])cc1 100929282 UFKIGFOZDRJOGW-UKRRQHHQSA-N 332.312 2.955 30 40 EFEB CN(C)S(=O)(=O)c1ccc(C(=O)/C=C/c2ccccc2F)cc1 6078679 RYRTWSBEBXVXDZ-FMIVXFBMSA-N 333.384 2.972 30 40 EFEB Cc1ccccc1NC(=O)C/C(N)=N/OC(=O)Nc1ccccc1 6585885 BZMGDHVPYZZSDJ-UHFFFAOYSA-N 326.356 2.845 30 40 EFEB CN(C(=O)CSc1ncccc1Br)C(C)(C)C#N 96411986 CVYXTEYREPGAKD-UHFFFAOYSA-N 328.235 2.697 30 40 EFEB N#Cc1nccnc1N1CCO[C@@H](c2ccc(C(F)(F)F)cc2)C1 97082700 BUFFRXPANWHFJM-CQSZACIVSA-N 334.301 2.945 30 40 EFEB N#C[C@H](C(=O)Nc1ccc2c(c1)OCCO2)C(=O)C1[C@@H]2CCCC[C@@H]12 521339555 CLEQTSLQZLEAIL-MCIONIFRSA-N 340.379 2.541 30 40 EFEB Cc1ccc([C@@H]2[C@H](S(=O)(=O)c3ccccc3)[C@]2(C#N)C=O)cc1 218443445 SZDNNPGDLFEIKU-FGTMMUONSA-N 325.389 2.644 30 40 EFEB CCCCCCCCNC(=O)C(=O)NCCc1ccc(OC)cc1 408709943 JCZCLECARNPCBT-UHFFFAOYSA-N 334.460 2.831 30 40 EFEB CCCn1cc(/C(O)=N/S(=O)(=O)c2cc(C)sc2C)cn1 96500829 PZFQXGUWPCEVJK-UHFFFAOYSA-N 327.431 2.665 30 40 EFEB C=C(C)CN(CC)S(=O)(=O)c1c(F)cc(NC(C)=O)cc1F 96427613 LXDIWEXBCZSHEU-UHFFFAOYSA-N 332.372 2.510 30 40 EFEB N#Cc1ccnc(OC[C@@H]2CCCN(c3nc(C4CC4)ns3)C2)c1 1776007767 DNFRZSVVGMMWAK-CYBMUJFWSA-N 341.440 2.978 30 40 EFEB CC[C@H]1CN(C(=O)c2ccccc2)CC[C@H]1CC(=O)N(C)CC#N 5412770 SJZUHZMXECMUJM-RDJZCZTQSA-N 327.428 2.547 30 40 EFEB biogenic,in-vitro CC(C)(C)c1ccc(OC[C@@H]2CCN(c3ccc(C#N)nc3)C2)nn1 1888846748 CTOYDYYCATUWCY-CQSZACIVSA-N 337.427 2.946 30 40 EFEB Cc1cccc(C(C)(C)NC(=O)CNC(=O)c2ccc(C#N)cc2)c1 97144253 OUBMSFTUGXIKJN-UHFFFAOYSA-N 335.407 2.648 30 40 EFEB COc1cccc(N2C[C@@H](C(=O)N(CC#N)c3ccccc3)CC2=O)c1 58003676 GLAAHYXGVKAVRL-HNNXBMFYSA-N 349.390 2.605 30 40 EFEB C[C@]1(c2ccsc2)NC(=O)N(Cc2ccc(C#N)cc2F)C1=O 58294654 LVTYIWWHYVUUKD-MRXNPFEDSA-N 329.356 2.726 30 40 EFEB CC(C)COCCCNS(=O)(=O)c1ccc(C#N)c(Cl)c1 58007336 XJCCRADEXWTAAL-UHFFFAOYSA-N 330.837 2.553 30 40 EFEB C[C@H](Oc1ccc(F)cc1F)c1ccnc2nc(/N=C/N(C)C)nn12 4084215 PABLIOQQYIEQCK-YPZZKDGISA-N 346.341 2.764 30 40 EFEB Cc1cccc2[nH]cc(CCNC(=O)C(=O)Nc3cccc(C#N)c3)c12 71799744 DYAVUYSAHAAGGR-UHFFFAOYSA-N 346.390 2.645 30 40 EFEB C=CCN(C(=O)/C=C(\C)CCc1ccccc1)[C@H]1CCS(=O)(=O)C1 69454300 PMFXOCILVRMXBH-ZWFBASDOSA-N 347.480 2.767 30 40 EFEB COc1cccc([C@H](C#N)NC(=O)Cc2ccc(C)s2)c1OC 69776523 DRHIPFFKHIJJGA-AWEZNQCLSA-N 330.409 2.997 30 40 EFEB C=CCCC(=O)N1CCC2(CC1)C[C@H](CN1CCC(F)(F)CC1)O2 306135017 OEYJWLLOHSZXIR-OAHLLOKOSA-N 342.430 2.834 30 40 EFEB CC(=O)N1CCN(C(=O)C[C@@H]2C[C@@H](C(C)C)[C@H](CC#N)C=C2C)CC1 30882421 WRSKPCSDNRMJGG-QYZOEREBSA-N 345.487 2.835 30 40 EFEB biogenic,in-vitro C=CCOc1ccc(NC(=O)C(C)(C)NC(=O)OC(C)(C)C)cn1 225924656 GNKSPIQRSQUHNN-UHFFFAOYSA-N 335.404 2.888 30 40 EFEB CCOC(=O)c1sc(OCc2cccc(OC)c2)c(C#N)c1N 225850640 HDEXFCMZIHGUKV-UHFFFAOYSA-N 332.381 2.966 30 40 EFEB C=CCN(c1ccccc1C(=O)OC)S(=O)(=O)c1cccs1 225125474 SLGHAYKTMYEDFH-UHFFFAOYSA-N 337.422 2.916 30 40 EFEB CC(C)[C@@H](/C(O)=N/c1nc(C2CC2)n[nH]1)N1Cc2ccccc2C1=O 95480210 KBLNAFZWFKGTJQ-AWEZNQCLSA-N 339.399 2.951 30 40 EFEB C/N=C(/NCc1noc(C)n1)N[C@H](C)c1cccc(C(F)(F)F)c1 88922435 NIZIWFHILXMFEH-SECBINFHSA-N 341.337 2.823 30 40 EFEB COc1cc(C(=O)O/N=C2/C=CC(=O)C(C)=C2C)cc(OC)c1OC 193532 NJUFONRZJKYFCP-UYRXBGFRSA-N 345.351 2.701 30 40 EFEB COc1ccc([C@H]2O[C@]3(C)OC(=N)[C@@]2(C#N)C(C#N)(C#N)[C@H]3C)cc1 5955025 KNBJGGAZDRQYCX-XBLNEZIDSA-N 336.351 2.670 30 40 EFEB CSCc1nnc(SCC(=O)[C@@H](C#N)c2nc(C)cs2)o1 22133227 DDZKNOWLDQUUHV-MRVPVSSYSA-N 340.455 2.666 30 40 EFEB Cc1cc(NC(=O)C2CCN(Cc3ccc(C#N)cc3F)CC2)no1 25437947 VIGROBMRHHUENI-UHFFFAOYSA-N 342.374 2.845 30 40 EFEB COc1ccc(NCC(=O)N[C@](C)(C#N)C2CC2)c(C(F)(F)F)c1 58216177 XHSWWVZWXNNAEK-OAHLLOKOSA-N 341.333 2.934 30 40 EFEB N#Cc1ccc(S(=O)(=O)N(Cc2ccncc2)C2CC2)cc1Cl 58560940 GYIWFMMIMCRNLV-UHFFFAOYSA-N 347.827 2.960 30 40 EFEB N#Cc1ccc(CS(=O)(=O)Nc2cccc(C(F)(F)F)n2)cc1 95447998 FCKKGGPVVOUYTH-UHFFFAOYSA-N 341.314 2.914 30 40 EFEB CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)NCc1ccc(C#N)cc1 45408864 ORGUZAVAGHRLHN-OAHLLOKOSA-N 329.400 2.574 30 40 EFEB CC(C)c1noc([C@H](C)N2CCN(Cc3ccc(C#N)cc3)CC2)n1 36811554 FPDVPRPSMJADOF-HNNXBMFYSA-N 339.443 2.943 30 40 EFEB N#Cc1cc(NCC2CCS(=O)(=O)CC2)ccc1C(F)(F)F 97145332 SPKVZJAUDZKRCB-UHFFFAOYSA-N 332.347 2.814 30 40 EFEB O=S(=O)(N/N=C(\c1ccccc1)c1cccnc1)c1ccccc1 6337346 YYKWDNYWYUNRRB-CZIZESTLSA-N 337.404 2.813 30 40 EFEB CC[C@H](Sc1nc(N)c(C#N)cc1C#N)C(=O)Nc1ccccc1 14199440 UHNWZDOJKYROGJ-AWEZNQCLSA-N 337.408 2.917 30 40 EFEB C[C@@H](OC[C@H]1CCCO1)/C(O)=N/S(=O)(=O)c1ccc(Cl)cc1 69282146 KVNBDFCMTPDCBH-ZYHUDNBSSA-N 347.820 2.569 30 40 EFEB C[C@]1(c2cccc(C#N)c2)NC(=O)N(Cc2ccc(C#N)cc2F)C1=O 70040294 VNKPAXCCWOUUIF-LJQANCHMSA-N 348.337 2.536 30 40 EFEB Cc1nc(C)n(C[C@H]2CCCCN2Cc2ccc(C#N)cc2F)n1 69596142 GMOUINIFXTYMQG-QGZVFWFLSA-N 327.407 2.960 30 40 EFEB N#CCc1ccc(NC(=O)C[C@H]2CN(Cc3ccccc3)CCO2)cc1 71916465 YSQNNZPZKOUBIG-FQEVSTJZSA-N 349.434 2.982 30 40 EFEB C=CCOc1cccc(NC(=O)NCCCCN2CCC[C@H]2CO)c1 71920237 SKYUYCIITWRVCV-KRWDZBQOSA-N 347.459 2.610 30 40 EFEB CC(=O)c1c(C)[nH]c(C(=O)CSc2[nH]c(=O)cc(C)c2C#N)c1C 8705325 SZUBIXKNXFMUKY-UHFFFAOYSA-N 343.408 2.678 30 40 EFEB COc1cccc([C@@H]2[C@H](NC(=O)C(C)(C)C#N)CCN2C2CC2)c1 95994576 AENKPMIPWXLKPA-IAGOWNOFSA-N 327.428 2.639 30 40 EFEB Cc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(C#N)cc3)C2=O)cc1 408772960 NTLUEBZFRKLXNB-MHWRWJLKSA-N 331.331 2.533 30 40 EFEB Cc1cccc(N2C(=O)NC(=O)[C@H](C=Nc3ccc(F)cc3)C2=O)c1 408527379 NMDKGEPQWXIEPL-HNNXBMFYSA-N 339.326 2.736 30 40 EFEB C#Cc1cccc(NC(=O)C(=O)N(C)[C@H]2CC[C@H](SCC)C2)c1 131664445 QWFDQSQLDBWHDP-HOTGVXAUSA-N 330.453 2.739 30 40 EFEB N#C[C@H](NC(=O)[C@H]1CCOC1)c1ccc(OCc2ccccc2)cc1 69516679 QBZRUEYOFKGOOG-HKUYNNGSSA-N 336.391 2.983 30 40 EFEB CN(C1CC1)S(=O)(=O)c1ccc(NCc2ccc(C#N)cc2)cc1 69736934 LDQXDKVVUXXBDD-UHFFFAOYSA-N 341.436 2.953 30 40 EFEB C#CCOc1ccc(CNCc2n[nH]c(-c3ccc(OC)cc3)n2)cc1 69844706 JPNCALADYGWACF-UHFFFAOYSA-N 348.406 2.782 30 40 EFEB Cc1ccc(-c2nc(CO/N=C(\N)[C@H](C)n3ccnc3)cs2)o1 72286209 MHWADGFZAPDNCX-NSHDSACASA-N 331.401 2.958 30 40 EFEB N#Cc1c(Cl)nsc1N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 51181631 QBJHLMZSRDNUOO-UHFFFAOYSA-N 349.803 2.903 30 40 EFEB CN(C)/C=C(\C(=O)c1cccs1)c1nnnn1-c1ccccc1 16163005 OIKDVNWMWRZWAQ-ACCUITESSA-N 325.397 2.509 30 40 EFEB O=C1C[C@H](N(O)C(=O)c2ccccc2)C(=O)N1c1ccc(Cl)cc1 101158508 CAYACAMENSREEZ-AWEZNQCLSA-N 344.754 2.504 30 40 EFEB CCCN(CC#N)C(=O)c1cc(-c2cc(OC)ccc2OC)on1 61412111 ZUUKNORHXIVNGE-UHFFFAOYSA-N 329.356 2.735 30 40 EFEB N#Cc1ccccc1-c1ccc(COC(=O)c2nccnc2N)cc1 22414258 NSHUJZKSAGAFCH-UHFFFAOYSA-N 330.347 2.954 30 40 EFEB CONC(=O)[C@@H](C)Sc1cc(C)c(C#N)c2nc3ccccc3n12 45013702 LHCASPMZHIXNIQ-LLVKDONJSA-N 340.408 2.826 30 40 EFEB C=CCN1C(=O)[C@@H](C(=O)NC(C)(C)C)[C@@H]2C[C@]1(C)Oc1ccccc12 100632507 DHNCWQIFLXBPEU-KKVAFCGZSA-N 342.439 2.828 30 40 EFEB CNC(=O)c1cccc(NC(=O)NCc2cc(C#N)ccc2F)c1C 76069530 XWGSJBCALYVTCD-UHFFFAOYSA-N 340.358 2.687 30 40 EFEB CCOc1ccc(C#N)cc1NC(=O)N1CC[C@H](N2CCCC2)C1 66161028 NSNLXQGKEJEWIE-HNNXBMFYSA-N 328.416 2.659 30 40 EFEB Cn1nccc1CCNC(=O)Nc1cccc(C#Cc2ccccn2)c1 97140912 PCAHYKUVURZEIG-UHFFFAOYSA-N 345.406 2.579 30 40 EFEB N#CC1(C(=O)NCCOc2ncc(Cl)cc2Cl)CCCC1 84338552 DPEHTUHYGGUKHZ-UHFFFAOYSA-N 328.199 2.967 30 40 EFEB N#Cc1cccc(NC[C@@H](O)COc2ccccc2Br)n1 95967575 HXSPZLCEDNAGCK-GFCCVEGCSA-N 348.200 2.568 30 40 EFEB C#CCOc1ccc(/C=N\Nc2ccc([N+](=O)[O-])cn2)cc1OCC 33492608 QTFVHAKJEVLPHD-ODLFYWEKSA-N 340.339 2.847 30 40 EFEB C=CCc1ccccc1OC[C@@H](O)Cn1ncc2ccccc2c1=O 42756148 HHHOEZHKAOCRQB-KRWDZBQOSA-N 336.391 2.565 30 40 EFEB C[C@H](Nc1cccc(NC(=O)c2ccoc2)c1)C(=O)N(C)CCC#N 79030276 MSQUSOXDAOZKIK-ZDUSSCGKSA-N 340.383 2.704 30 40 EFEB Cn1cnc2cc(C(=O)[C@@H](C#N)c3ccc(C(F)(F)F)cn3)cnc21 195576981 HGFWTTUPYXCXED-NSHDSACASA-N 345.284 2.872 30 40 EFEB N#Cc1nccnc1O[C@H]1CCCN(C(=O)c2ccc(Cl)s2)C1 225484058 AMNBKZFURPGLKT-JTQLQIEISA-N 348.815 2.747 30 40 EFEB Cc1csc(CN(C)[C@@H]2CCN(c3sccc3C#N)C2=O)n1 83198989 JQFPMOKGZQFWCH-GFCCVEGCSA-N 332.454 2.622 30 40 EFEB CCc1ccc([C@@H]2COCCN2C(=O)COc2ccccc2C#N)o1 96412288 BILNEXNVIMLHBY-INIZCTEOSA-N 340.379 2.693 30 40 EFEB N#Cc1ccc(Oc2ccc(C#N)nn2)c(I)c1 252497640 QLNDKRFHEXWDRG-UHFFFAOYSA-N 348.103 2.617 30 40 EFEB C#CCOc1cccc(CN2C[C@H]3C(c4ccccc4)=NO[C@H]3C2)c1 12219326 HHJVXEWJJOUXLB-UXHICEINSA-N 332.403 2.934 30 40 EFEB Cc1ccc(-n2nnnc2[C@@H](C#N)C(=O)c2cc(F)cc(F)c2)cc1 16311417 KKAWFSJNWXRDBN-HNNXBMFYSA-N 339.305 2.739 30 40 EFEB COCCN1C(=O)C(=O)/C(=C(/O)c2ccco2)[C@@H]1c1ccc(C)cc1 102504666 KMCKSWWGYRKHJQ-UYTDBDHRSA-N 341.363 2.656 30 40 EFEB N#C[C@@H](C1CCCCC1)N1CCN(C(=O)c2cc(C3CC3)[nH]n2)CC1 54344882 VVMVHQFDSYGDQC-SFHVURJKSA-N 341.459 2.517 30 40 EFEB COc1ccc([C@@H]2C(C(C)=O)=C(C)N=C3SCC(=O)N32)c(OC)c1 1061921 PXLLEZUXEDSPGF-MRXNPFEDSA-N 346.408 2.553 30 40 EFEB COc1ccc(N2CCCN(C(=O)C3(C#N)CCCC3)CC2)cc1 55877862 IGWGGNWGJCKOQF-UHFFFAOYSA-N 327.428 2.818 30 40 EFEB N#Cc1ccc(N2CCN(Cc3cccc4cccnc34)CC2)nc1 12647971 CZIMKIASAFNZGG-UHFFFAOYSA-N 329.407 2.824 30 40 EFEB COC(=O)c1cc(C#N)c(=O)n(Cc2csc(C3CCCC3)n2)c1 58226928 SQKYWHSYHKRJDD-UHFFFAOYSA-N 343.408 2.669 30 40 EFEB N#Cc1ccc(NC(=O)COC(=O)c2ccc3ccccc3n2)cc1 3302728 LLNSPGPIOYIYRF-UHFFFAOYSA-N 331.331 2.902 30 40 EFEB COc1ccc(C)cc1CN1C(=O)N[C@@](C)(c2ccc(C#N)cc2)C1=O 12811296 HBIALSPTIUOAPN-FQEVSTJZSA-N 349.390 2.843 30 40 EFEB CN1C(=O)N[C@H](c2cccc([N+](=O)[O-])c2)C2=C1CC(C)(C)CC2=O 2550485 BSXAPZMXPYBEAA-OAHLLOKOSA-N 329.356 2.934 30 40 EFEB C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CNCCc4c[nH]cn4)[C@H]3C[C@H]12 3984920 LIPXWZPIPQPEAZ-HGJKNBTDSA-N 343.471 2.856 30 40 EFEB biogenic COc1cc(OC)c(OC)cc1CNC(=O)c1cccc(C#N)c1 5277356 OGQCOCDPVQLDPR-UHFFFAOYSA-N 326.352 2.514 30 40 EFEB C=CCNC(=O)N1CCO[C@H](c2ccccc2Br)C1 69658598 VDLIVQWQXTWDJY-ZDUSSCGKSA-N 325.206 2.718 30 40 EFEB N#Cc1c(F)cccc1N1CCC(C(=O)NCc2cccnc2)CC1 69630071 CDKOBZAOFFBXHF-UHFFFAOYSA-N 338.386 2.625 30 40 EFEB Cc1ccc(C(=O)C(=O)N(CCN(C)C)Cc2cccc(C#N)c2)cc1 69894397 NBBVLQGBYSBKDN-UHFFFAOYSA-N 349.434 2.640 30 40 EFEB N#CC1(NC(=O)CSc2nnc(C3CC3)n2C2CC2)CCCC1 7904256 BYIRRKFJMUWFHQ-UHFFFAOYSA-N 331.445 2.535 30 40 EFEB CCOC(=O)C1=C(C)N/C(=N\C#N)N(C)[C@H]1c1ccc(Cl)cc1 95115780 QAMNTUPHFSIUKT-AWEZNQCLSA-N 332.791 2.590 30 40 EFEB COc1ccc(-c2c(C#N)c3n(c(=O)c2C#N)NC2(CCCC2)N3)cc1 5513977 ZSFYVPXXSVKQGP-UHFFFAOYSA-N 347.378 2.507 30 40 EFEB O=[N+]([O-])c1cccc(/C=N/c2ccc(CN3CCOCC3)cc2)c1O 5995963 ITGBYSRFMMGLRJ-XDHOZWIPSA-N 341.367 2.883 30 40 EFEB CC(=O)Nc1ccc(S(=O)(=O)N/N=C/CCc2ccccc2)cc1 4429528 MNJJDWHMEDHDEO-QGOAFFKASA-N 345.424 2.542 30 40 EFEB COc1ccc(/C(O)=C2\C(=O)C(=O)N[C@@H]2c2ccc(F)cc2)cc1 102801549 YRLFWACQJHRHTK-DPEHCCBOSA-N 327.311 2.544 30 40 EFEB N#Cc1cccnc1NCCNC(=O)C1(c2cccc(Cl)c2)CC1 53218861 KWEWNZCWFGFVFW-UHFFFAOYSA-N 340.814 2.867 30 40 EFEB C[C@]1(c2ccccc2)NC(=O)N(/N=C/C2=Cc3ccccc3OC2)C1=O 54280695 UFGVKPOZIOYZCU-BCVDLATCSA-N 347.374 2.915 30 40 EFEB CC(C)NC(=O)CCNC(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 84620450 DOIJWBZHVPCEFQ-UHFFFAOYSA-N 342.321 2.613 30 40 EFEB CSc1[nH]c(=O)c(C(=O)N[C@H]2CCc3ccc(F)cc32)cc1C#N 106920803 FPXSKZAJTICGIK-AWEZNQCLSA-N 343.383 2.525 30 40 EFEB COc1ccc(/C=N\Nc2nnc3c(n2)[nH]c2c(C)cccc23)c(O)c1 36033997 JIVQSIWYJKKVDJ-OCKHKDLRSA-N 348.366 2.975 30 40 EFEB Cc1cc(C)n(Cc2cccc(C(=O)N(CCC#N)CCC#N)c2)n1 58380755 GMHRSQHGXNNVFU-UHFFFAOYSA-N 335.411 2.818 30 40 EFEB Cc1sc2ncn(CC(=O)Nc3sccc3C#N)c(=O)c2c1C 14677248 LJQYVWQEKAOTPT-UHFFFAOYSA-N 344.421 2.647 30 40 EFEB Cn1c(C(=O)N2CCOC[C@@H]2C#N)cc2cc(C(F)(F)F)ccc21 96449700 YTQHVQGJIQNVGE-LBPRGKRZSA-N 337.301 2.562 30 40 EFEB N#Cc1cccc(S(=O)(=O)Nc2ccc(N3CCCCC3)nc2)c1 69585752 ZFMXAZQERKEWJG-UHFFFAOYSA-N 342.424 2.744 30 40 EFEB Cc1ccc(CNC(=O)Cn2cc(C#N)c(=O)c3ccccc32)cc1F 69977148 FUWSGFRBKIQOJI-UHFFFAOYSA-N 349.365 2.637 30 40 EFEB N#Cc1c[nH]c(C(=O)N2CCN(c3ccc(F)cc3Cl)CC2)c1 95441042 OGZGAXBFHQITBD-UHFFFAOYSA-N 332.766 2.641 30 40 EFEB NC(=O)NC[C@@H]1CCCCN1CC#Cc1ccc(C(F)(F)F)cc1 89780984 SFQJRILNAWEWEK-HNNXBMFYSA-N 339.361 2.580 30 40 EFEB COc1ccc([C@H]2[C@H](C#N)C(=O)Nc3nc4ccccc4n32)c(OC)c1 20637919 SHZXKWSYNGGRKN-GUYCJALGSA-N 348.362 2.735 30 40 EFEB Cc1ncsc1CCC(=O)N1CCC[C@]2(CCCCO2)[C@H]1C#N 583739824 FEGCYHNGWFCYSP-NVXWUHKLSA-N 333.457 2.838 30 40 EFEB CO[C@@H](C)c1nc(CN2CCN(Cc3ccc(C#N)o3)CC2)cs1 96490102 JIVCCONHDAMUJY-ZDUSSCGKSA-N 346.456 2.633 30 40 EFEB CCOC[C@]1(C#N)[C@H](c2ccc(Cl)cc2)[C@H]1S(=O)(=O)CC 252517077 ZIILAHBQBJDNEC-RBSFLKMASA-N 327.833 2.787 30 40 EFEB N#Cc1ncccc1N1CC[C@H](Oc2ccncc2Br)C1 1776008704 MZANUDIMNJGMCX-NSHDSACASA-N 345.200 2.768 30 40 EFEB C/C(=N/NC(=N)N)c1ccc(NC(=S)Nc2ccccc2)cc1 5011568 AWTKMPYJPASKGD-NHDPSOOVSA-N 326.429 2.703 30 40 EFEB COc1ccccc1N/N=C(\C(N)=O)c1nc2ccccc2s1 4292636 INYMIRYGLLYOTN-XSFVSMFZSA-N 326.381 2.606 30 40 EFEB N#Cc1cccc(NC(=O)CNc2ccc(NC(=O)C3CC3)cc2)c1 10941625 ZDNOQHQDJIQLTO-UHFFFAOYSA-N 334.379 2.957 30 40 EFEB C[C@H](C(=O)Nc1ccccc1C#N)N1CCN(Cc2ccccc2)CC1 23749793 KJDRSXZDBNGWKG-QGZVFWFLSA-N 348.450 2.703 30 40 EFEB Cc1cc(C)n(/N=C/c2ccc(Cl)c([N+](=O)[O-])c2)c(=O)c1C#N 358329 KVAIFENEZDHNLJ-QGMBQPNBSA-N 330.731 2.781 30 40 EFEB C#Cc1cccc(NC(=O)c2ccc3c(=O)n4c(nc3c2)CCC4)c1 32900724 NQLCYPNUZXWDJL-UHFFFAOYSA-N 329.359 2.576 30 40 EFEB O=C(NCC#Cc1ccccc1)c1ccc2c(O)[nH]c(=S)nc2c1 47074059 PIMPAHYEDGKXSQ-UHFFFAOYSA-N 335.388 2.779 30 40 EFEB C[C@H]1CN(C(=O)C2CCN(c3cccc(F)c3C#N)CC2)C[C@H](C)O1 42103131 BVYFAFLIKJTUJT-KBPBESRZSA-N 345.418 2.550 30 40 EFEB N#Cc1cnc2c(F)cc(F)cc2c1NC[C@@H](O)COCC1CC1 79002474 OWUOEKDZHGCHNN-CYBMUJFWSA-N 333.338 2.584 30 40 EFEB CC/C(Nc1ccc(N)cc1)=C1/C(=O)CC(C)(C)[C@@H](C(=O)OC)C1=O 100157915 SIYJZWRSNPISCE-QJPKHSJYSA-N 344.411 2.702 30 40 EFEB Cc1c(C(=O)N(CCC#N)Cc2cccnc2)[nH]c2c1C(=O)CCC2 58201486 XCDUSZGEQNYWMP-UHFFFAOYSA-N 336.395 2.793 30 40 EFEB N#CCS(=O)(=O)NCCc1ccc(Oc2ccccc2)c(F)c1 95439796 VYNUQYGUMKOQRQ-UHFFFAOYSA-N 334.372 2.603 30 40 EFEB CC[C@H]1CC[C@H](C)N1C(=O)CCc1c(C)nc2c(C#N)cnn2c1C 95459204 AOBFEPPFODMEAW-LRDDRELGSA-N 339.443 2.940 30 40 EFEB Cc1ccc(Nc2nc3nonc3nc2N/N=C/c2ccncc2)cc1 59488844 ZPSUMCXMQCQBAO-VXLYETTFSA-N 346.354 2.906 30 40 EFEB C[C@H](CNC(=O)c1ccc(-n2ncc(C#N)c2N)cc1)c1ccccc1 65522474 HTMCCNWIYNANNO-CQSZACIVSA-N 345.406 2.860 30 40 EFEB O=C(O)COc1cccc(C(=O)/C=C/c2cccc3c2OCO3)c1 65593589 YELRKPFHSAKWAC-BQYQJAHWSA-N 326.304 2.775 30 40 EFEB CCCN(CC#N)C(=O)c1nc(CC)n(-c2ccccc2Cl)n1 69417163 ISDYURRIILOAED-UHFFFAOYSA-N 331.807 2.859 30 40 EFEB C[C@H](Nc1cccc(OCC(F)(F)F)c1)C(=O)N(C)CCC#N 79029584 FAEQYXDHAWNMCP-NSHDSACASA-N 329.322 2.800 30 40 EFEB O=S(=O)(/N=C(\O)CCCn1cccn1)c1ccc2c(c1)CCCC2 78556486 YJGGALIGVMHQKD-UHFFFAOYSA-N 347.440 2.888 30 40 EFEB C#Cc1cccc(NC(=O)C(=O)NCc2ccccc2OCC2CC2)c1 96418156 RQQVPTIOVFSABS-UHFFFAOYSA-N 348.402 2.712 30 40 EFEB N#CCCCS(=O)(=O)N[C@H]1CCCN(c2ccccc2Cl)C1 96428235 SFYPYGJDLMVSGX-ZDUSSCGKSA-N 341.864 2.532 30 40 EFEB CCn1cc([C@H]2OCC[C@H]2CNCc2ccc(OC)c(C#N)c2)cn1 78880447 BTQWICPEPKKKFN-KXBFYZLASA-N 340.427 2.651 30 40 EFEB COc1cc(NCC(=O)N[C@](C)(C#N)C(C)C)c(OC)cc1Cl 40461261 QSJISDJZROYMAX-MRXNPFEDSA-N 339.823 2.824 30 40 EFEB N#CC1(c2ccccc2)CCN(c2cc(=O)n3ccccc3n2)CC1 1888928850 IEIARGISUWFJMA-UHFFFAOYSA-N 330.391 2.756 30 40 EFEB N#C[C@@H](C(=O)c1cnsn1)C(=O)c1c[nH]c2cc(Cl)ccc12 101253441 IBYVEYRDPDAMRO-SECBINFHSA-N 330.756 2.878 30 40 EFEB Cc1nn(Cc2cccc(OCC(F)(F)F)c2)c(=O)c(C#N)c1C 57493637 RKIMCNUSQMDGBG-UHFFFAOYSA-N 337.301 2.721 30 40 EFEB Cc1cc(=O)oc2cc(OCC(=O)Nc3cccc(C#N)c3)ccc12 3242366 GOSAOVIOYPUTSM-UHFFFAOYSA-N 334.331 2.991 30 40 EFEB N#CCCNC(=O)CN1CCCC[C@@H]1c1nc2ccccc2s1 27372120 KNMHSGFFPUIBTK-CQSZACIVSA-N 328.441 2.853 30 40 EFEB C[C@]1(c2ccccc2F)NC(=O)N(Cc2ccc(C#N)cc2F)C1=O 58292673 XQTNICWKPALUSI-GOSISDBHSA-N 341.317 2.804 30 40 EFEB O=C(CCc1ncc(-c2c(F)cccc2F)o1)/N=C1/NCCS1 58394119 UDFPHYHINMUSED-UHFFFAOYSA-N 337.351 2.771 30 40 EFEB CC(C)(C)C(=O)N1CCC[C@H](C(=O)[C@H](C#N)C(=O)c2ccccc2)C1 102765882 ZBLUBGKVVIRIQQ-JKSUJKDBSA-N 340.423 2.863 30 40 EFEB C=CCc1ccc(OCC(=O)N2CCO[C@@H]3CCCC[C@@H]32)c(OC)c1 46484504 NMUJWWYTKJLXBZ-DLBZAZTESA-N 345.439 2.973 30 40 EFEB CCCCc1nc(N2CCOCC2)c(C#N)c2c1COC(C)(C)C2 13116298 PCWYAVXZNGUMSB-UHFFFAOYSA-N 329.444 2.984 30 40 EFEB N#Cc1ccc(CSc2nnc(Cc3ccccc3)c(=O)[nH]2)cc1 13629116 KGLNSJGKVFVVKU-UHFFFAOYSA-N 334.404 2.920 30 40 EFEB CC(C)(C)c1ncc(C(=O)NCCNc2ncccc2C#N)s1 65402236 VOVBKHTXBVKPMO-UHFFFAOYSA-N 329.429 2.549 30 40 EFEB CN(C)C1(CNc2ncnc3c2cnn3CCC#N)CCCCCC1 65538525 RCEKZHOAILLVSC-UHFFFAOYSA-N 341.463 2.806 30 40 EFEB Cc1ccccc1OCCN(C)S(=O)(=O)c1cccc(C#N)c1 14196638 NPXZAXBTSJGBSE-UHFFFAOYSA-N 330.409 2.566 30 40 EFEB C#CCOc1ccc(/C=C2/SC(=O)N(CCCOC)C2=O)cc1 409240090 JOWUAPKPHVKAON-NTCAYCPXSA-N 331.393 2.771 30 40 EFEB C[C@H]1C(=O)N(C[C@H](C#N)CCC#N)C(=O)N1c1ccc(Cl)cc1 15238701 FTRHHENFUQXUCY-RYUDHWBXSA-N 330.775 2.941 30 40 EFEB C[C@H]1CN(CC(=O)/C=C2/N(C)c3ccccc3C2(C)C)C[C@H](C)O1 16444074 UONKVAVXWGMOFA-KVQWEKGRSA-N 328.456 2.976 30 40 EFEB COc1cc([C@@H](C#N)NC(=O)/C=C/c2ccco2)cc(OC)c1OC 96403688 QFNPAAGNKBZZCN-PSKZRQQASA-N 342.351 2.700 30 40 EFEB O=C(NCC#Cc1ccccc1)N1CCO[C@@H](c2ccsc2)C1 89821656 OIXWTXKLKZTIPZ-QGZVFWFLSA-N 326.421 2.883 30 40 EFEB Cc1ccc(N2C(=O)NC(=O)[C@H](C=Nc3ccccc3C)C2=O)cc1 408528685 VZDYSYALJKFWRX-HNNXBMFYSA-N 335.363 2.905 30 40 EFEB Cc1cc(C#N)cc(N(C)C[C@@H](c2cccs2)N2CCOCC2)n1 225819867 WFELDDULCIUPME-INIZCTEOSA-N 342.468 2.833 30 40 EFEB C=CCO[C@H]1CC[C@H]2[C@H]1OCCN2C(=O)c1sccc1OCC 96042056 FSLAYSNUTXKXNI-KCQAQPDRSA-N 337.441 2.721 30 40 EFEB C=CCOC[C@@H]1CC[C@@H]2[C@H]1OCCN2C(=O)c1ccc(F)c(F)c1 253371776 CHERGVXJESTXQU-XKQJLSEDSA-N 337.366 2.787 30 40 EFEB C#CCCCNC(=O)N1CCC[C@@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]21 1616034789 NSXICKNZTCUWRJ-CVEARBPZSA-N 349.475 2.831 30 40 EFEB N#Cc1ccc(N2CCN(C(=O)CCCc3cccs3)CC2)nc1 71820120 STHFGPXUJCWKAQ-UHFFFAOYSA-N 340.452 2.686 30 40 EFEB C=C(C)CN(CC)C(=O)C(=O)Nc1ccc(N2CCCC2)c(F)c1 154613174 AFEIGOSSKHOJPD-UHFFFAOYSA-N 333.407 2.789 30 40 EFEB CC1=CC(=O)[C@H](C(=O)/C=C/c2cccc(OCCCC#N)c2)C(=O)O1 100700652 IMTBIWCETHGYGN-DVBCCOPCSA-N 339.347 2.597 30 40 EFEB Cc1cc(=O)[nH]c(SCC(=O)N[C@@H](C)[C@@H]2C[C@H]3CC[C@H]2C3)c1C#N 102210407 YGTZTYURKUODOD-XUXIUFHCSA-N 345.468 2.588 30 40 EFEB N#Cc1ccc(Cl)cc1NC(=O)Cn1c(=O)cnc2ccccc21 32910134 SGNZVWHMTACFGH-UHFFFAOYSA-N 338.754 2.560 30 40 EFEB O=C(Nc1cccnc1)/C(=N/Nc1cccnc1)C(=O)c1ccccc1 12512621 NOTJDNQDTTUMLS-JJIBRWJFSA-N 345.362 2.766 30 40 EFEB CC(C)[C@H](C#N)N1CCN(C(=O)C23CC4CC(CC(C4)C2)C3)CC1 28896354 FYOYCTGBWYHHAJ-AZRLCKCBSA-N 329.488 2.895 30 40 EFEB CC(C)N1/C(=C/c2ccncc2)C(=O)c2ccccc2S1(=O)=O 8993121 CYWNLZKLCVLNFT-RVDMUPIBSA-N 328.393 2.718 30 40 EFEB Cc1cccc(/C=C2\Oc3cc(OS(C)(=O)=O)ccc3C2=O)c1 13813883 YRAGUKFYOCBMQD-SXGWCWSVSA-N 330.361 2.950 30 40 EFEB CN(C)CCCNC(=O)Nc1sc2c(c1C#N)CC(C)(C)OC2 6669613 APHLWSFSIWPALZ-UHFFFAOYSA-N 336.461 2.544 30 40 EFEB N#Cc1ccc(N2CCC(C(=O)NCc3ccco3)CC2)c(F)c1 69489842 GNJWBTGPLDKSQD-UHFFFAOYSA-N 327.359 2.823 30 40 EFEB O=S(=O)(/N=C(\O)Cc1cccc(F)c1F)c1ccc(F)cc1 97033158 GQCHQTDRBLUEPG-UHFFFAOYSA-N 329.299 2.992 30 40 EFEB N#Cc1ccc(Cl)cc1NC(=O)CN1CCC[C@H]1[C@@H]1CCCC1=O 95448088 MAPDBADWYXGMHE-HOCLYGCPSA-N 345.830 2.984 30 40 EFEB CCn1cnnc1CN/C(=N/C)N[C@H](C)c1ccc(CC(C)C)cc1 95959591 CNPRSEVIKPJELS-OAHLLOKOSA-N 342.491 2.923 30 40 EFEB N#Cc1ccc(NC(=O)NCCCCn2ccccc2=O)cc1Cl 75139088 QENSQMMEQHFFDU-UHFFFAOYSA-N 344.802 2.975 30 40 EFEB N#C[C@@H](C(=O)CN1C(=O)CCc2ccccc21)c1nc2ccccc2o1 75610555 PFCFOMQOGQRFKT-AWEZNQCLSA-N 345.358 2.983 30 40 EFEB COc1cc(-c2c3c([nH]c(=N)c2C#N)CCCC3)ccc1OCC#N 408983475 BZZVHMQKHRMVPX-UHFFFAOYSA-N 334.379 2.823 30 40 EFEB Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N(CCC#N)[C@@H](C)C1CC1 69601935 UYIPBGAAMYEMKV-LBPRGKRZSA-N 337.401 2.606 30 40 EFEB N/C(=N\c1ccc(Br)cc1)Nc1ncccc1[N+](=O)[O-] 225243118 RZCRWXMZRQCKLJ-UHFFFAOYSA-N 336.149 2.811 30 40 EFEB Cc1c(CS(C)(=O)=O)cccc1NCCOc1cccc(C#N)c1 96427539 NZPPASNVLGFCBF-UHFFFAOYSA-N 344.436 2.902 30 40 EFEB CC(C)C(=O)N[C@H]1CCCN(CCCOc2cccc(C#N)c2)C1 96476116 KIDOVRLGDIVXNT-KRWDZBQOSA-N 329.444 2.564 30 40 EFEB Cc1cnc(N2CCO[C@]3(CCCN(c4cccc(C#N)c4)C3)C2)nc1 96226288 PLDGCCXVGCWYDN-FQEVSTJZSA-N 349.438 2.533 30 40 EFEB Cc1cc(C#N)cc(=NCCC2CCN(CC(F)(F)F)CC2)[nH]1 587991534 NFRGYEHKUQOLJL-UHFFFAOYSA-N 326.366 2.760 30 40 EFEB N#CC1(C#N)[C@@H](c2ccncc2)O[C@]23CCCCC[C@@H]2[C@@]1(C#N)C(=N)O3 5927727 LTEPMQYWZQIEHW-LTDCPUDJSA-N 347.378 2.981 30 40 EFEB CC(C)CNc1oc(-c2ccc(S(=O)(=O)N(C)C)cc2)nc1C#N 12420993 BCZIPWJXUAKZGF-UHFFFAOYSA-N 348.428 2.531 30 40 EFEB CSCC(=O)Nc1c(C#N)c2c(n1C[C@@H]1CCCO1)CCCC2 52892541 OKWZOHMXVGSTCW-LBPRGKRZSA-N 333.457 2.719 30 40 EFEB CCCOc1ccc(/C=N/N=c2\[nH]n3cnnc3c3ccccc23)cc1 1743483 PEFCDEJOACAHQM-UDWIEESQSA-N 346.394 2.934 30 40 EFEB C=CCn1cc(C(=O)N[C@@H](C(N)=O)c2ccccc2)c2ccccc21 57430283 IDYWBYBDTFUCFU-GOSISDBHSA-N 333.391 2.784 30 40 EFEB C=CCNC(=O)N[C@@H](CC)c1ccccc1OCC(=O)N1CCCC1 57441241 VSSUADGDXVRCHY-INIZCTEOSA-N 345.443 2.624 30 40 EFEB COC(=O)c1cc(C#N)c(=O)n(Cc2csc(CCC(C)C)n2)c1 58137788 IXZPECGHHCHZSD-UHFFFAOYSA-N 345.424 2.600 30 40 EFEB C=CCN(CCc1ccccc1)C(=O)c1ccc(-n2cnnn2)cc1 58263900 XLLVINFUJNALJA-UHFFFAOYSA-N 333.395 2.533 30 40 EFEB CN(C)C1(CNc2ccc(Br)cc2C#N)CCOCC1 96008463 PLLKCLUYWAONTI-UHFFFAOYSA-N 338.249 2.843 30 40 EFEB CC(C)CN1CCC(C(=O)NCCNc2cccc(F)c2C#N)CC1 65405239 MNJLLNGMOBTFKX-UHFFFAOYSA-N 346.450 2.593 30 40 EFEB CC(C)[C@H](NC(=O)Cc1ccccc1)C(=O)Nc1cccc(C#N)c1 7807723 OHCPDGLNZWVAHU-IBGZPJMESA-N 335.407 2.880 30 40 EFEB N#C[C@@H](C(=O)Cc1ccccc1)c1nc(N)nc(Nc2ccccc2)n1 69570498 PKPJSNNHHRWBSW-HNNXBMFYSA-N 344.378 2.616 30 40 EFEB CCN(C[C@H](C)C#N)C(=O)c1csc(I)c1 69665857 MOLNMYBFBABWKN-MRVPVSSYSA-N 348.209 2.974 30 40 EFEB CC(C)Oc1ccc(-c2nc(/C(O)=N/S(C)(=O)=O)cs2)cc1 69869406 AFTFIBLMNXPXHD-UHFFFAOYSA-N 340.426 2.862 30 40 EFEB CC#CCCN1CCC(C(=O)Nc2cccc(NC(C)=O)c2)CC1 97142198 JBBVQSSDBYBRSH-UHFFFAOYSA-N 327.428 2.709 30 40 EFEB COC(=O)c1cccc(C#Cc2cccc(NCc3ncnn3C)c2)c1 86198772 UHTIHHKHHFZHBW-UHFFFAOYSA-N 346.390 2.614 30 40 EFEB N#Cc1ccc(NCC(=O)NCc2cccnc2N2CCCCC2)cc1 70840592 BMFRFVTXEJPAFY-UHFFFAOYSA-N 349.438 2.672 30 40 EFEB Cc1ccsc1CN(C)CCS(=O)(=O)c1cccc(C#N)c1 95435850 MXQHTRXSXVQQGT-UHFFFAOYSA-N 334.466 2.834 30 40 EFEB COC1CCN(CCNc2ccc(Br)cc2C#N)CC1 96008502 GSYKJJQMLLRTFU-UHFFFAOYSA-N 338.249 2.843 30 40 EFEB CCOP(=O)(OCC)c1cccc(B2OC(C)(C)C(C)(C)O2)c1 200035012 CLYFVWKXJPDFHQ-UHFFFAOYSA-N 340.165 2.877 30 40 EFEB C=CC/N=c1\sc(C(=O)Nc2ccc(F)cc2)cc(=O)n1CC=C 15307567 NGBSMKAHUCTTIM-ZPHPHTNESA-N 345.399 2.574 30 40 EFEB COc1ccc([C@@H](C#N)N2CCN(C(=O)C3CCCCC3)CC2)cc1 41259242 UOFDGYPPPHFBBF-LJQANCHMSA-N 341.455 2.984 30 40 EFEB N#Cc1ccsc1NC(=O)COc1ccc(-c2nnco2)cc1 2624399 NBPYPVKMRZJRLR-UHFFFAOYSA-N 326.337 2.687 30 40 EFEB COC(=O)/C=C1/S/C(=N/c2ccc(Cl)c(Cl)c2)NC1=O 6857768 CHILQTLHZRNFJX-WEVVVXLNSA-N 331.180 2.901 30 40 EFEB Cc1cccc(C(=O)O[C@H](C)C(=O)Nc2sccc2C#N)c1N 7189897 VZBMENAFHLXXRD-SNVBAGLBSA-N 329.381 2.694 30 40 EFEB N#C[C@H](NC(=O)CCCOc1cccnc1)c1ccc(F)cc1F 96430915 UXIAIOWGGNDGJO-INIZCTEOSA-N 331.322 2.900 30 40 EFEB C#CCN1CCC(C(=O)NCC(C)(C)N[C@@H](C)c2ccccc2)CC1 69892506 DUXLYKKONRQLJV-KRWDZBQOSA-N 341.499 2.577 30 40 EFEB C#CCN1C(=O)S/C(=C/c2cc(Cl)cc([N+](=O)[O-])c2O)C1=O 408917216 PECBJPIMRKVDLK-BJMVGYQFSA-N 338.728 2.623 30 40 EFEB C/N=C(/NCc1nc(C(F)(F)F)cs1)NCC(C)(C)SC 88928646 CJNMJGLQZFFMLO-UHFFFAOYSA-N 340.440 2.969 30 40 EFEB Cc1nnc(N2CCC(C(=O)c3ccc(O)cc3)CC2)c(C#N)c1C 89556312 HCWIOBLNCPUCIL-UHFFFAOYSA-N 336.395 2.770 30 40 EFEB O=[N+]([O-])c1ccc(N2CCOCC2)c(/C=N/Nc2ccccc2)c1 408996322 HNIMIHNOUHBNLL-QGOAFFKASA-N 326.356 2.877 30 40 EFEB CCOC(=O)C1CCN(c2c(C#N)cnc3ccc(OC)cc23)CC1 38652813 IWQYGOJVFPFUNA-UHFFFAOYSA-N 339.395 2.895 30 40 EFEB N#Cc1cc(N)c(N2CCOCC2)n1Cc1cccc2ccccc12 225868861 SBUPWYPGEDTADY-UHFFFAOYSA-N 332.407 2.980 30 40 EFEB CCOc1ccc(/C(O)=N/S(=O)(=O)c2cccc(C#N)c2)cc1 48597750 JHJWIVRDUGPACI-UHFFFAOYSA-N 330.365 2.650 30 40 EFEB Cc1nc(C(=O)N[C@@H](CC(=O)O)c2ccccc2Cl)ccc1C#N 75572369 DZVPNWDFWUJIGI-HNNXBMFYSA-N 343.770 2.861 30 40 EFEB COc1ccccc1CN[C@@H](c1ccc(C#N)cc1)P(=O)(O)O 12997500 CGVLQZFNBMHLPY-MRXNPFEDSA-N 332.296 2.533 30 40 EFEB O=C1C=C/C(=N\Nc2ccc(S(=O)(=O)O)cc2)c2ccccc21 13520293 AQEVIUBZUSCVJX-OBGWFSINSA-N 328.349 2.502 30 40 EFEB in-vitro Cc1cccc([C@@H]2C[C@H]2C(=O)[C@@H](C#N)C(=O)NCCCOC(C)C)c1 100684150 UMUYVXFOSKOUFD-RCCFBDPRSA-N 342.439 2.739 30 40 EFEB CC[C@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)CN(C)C(=O)OC)cc1 102898545 FNLYXVGLNRZJFZ-WFASDCNBSA-N 345.399 2.546 30 40 EFEB CCOc1ccc(S(=O)(=O)/N=C(\O)CCc2cscn2)cc1 78701050 PQKQCWYRTVSDLF-UHFFFAOYSA-N 340.426 2.820 30 40 EFEB O=S(=O)(/N=C(\O)[C@@H]1C[C@@H]1c1ccccc1F)N1CCCCC1 84502107 IONAOWGXQDDYRR-CHWSQXEVSA-N 326.393 2.616 30 40 EFEB N#Cc1ccc(N2CCN(C(=O)c3ccc(F)cc3Cl)CC2)nc1 58180068 YPEDLVPZUWHNQV-UHFFFAOYSA-N 344.777 2.708 30 40 EFEB Cn1ncc2c1CCC[C@@H]2NC(=O)CSCc1ccc(C#N)cc1 48111526 KQDVJDBCDXVSQU-INIZCTEOSA-N 340.452 2.719 30 40 EFEB C#CCNC(=O)CS[C@H](C)c1nc(-c2ccc(C)c(F)c2)no1 58307168 CVWXJZLMNPUUFX-LLVKDONJSA-N 333.388 2.728 30 40 EFEB CCn1nc(C)c(C(=O)NCCNc2cccc(F)c2C#N)c1Cl 95401820 JWKRMYFNRCCYBS-UHFFFAOYSA-N 349.797 2.718 30 40 EFEB C=CCOC(=O)C1=C(C)Nc2ncnn2[C@H]1c1ccccc1OCC 4716210 ADNSOIUKGNOKSA-INIZCTEOSA-N 340.383 2.695 30 40 EFEB CCOc1ccc(NC(=O)C[C@H]2S/C(=N\[C@H](C)CC)NC2=O)cc1 7850413 QJVFEKSFWFEGJK-BXUZGUMPSA-N 349.456 2.800 30 40 EFEB CC(=O)c1ccc(C#N)cc1N1CC[C@@H](OCCN2CCCCC2)C1 97109466 RTLWJJSERAFZDI-GOSISDBHSA-N 341.455 2.842 30 40 EFEB C#Cc1cccc(NC(=O)C(=O)N(Cc2ccccc2OC)C2CC2)c1 126406516 QTRJTFKXGZTBDK-UHFFFAOYSA-N 348.402 2.806 30 40 EFEB N#Cc1cccc(C(=O)NCCc2cnc(-c3ccccc3)nc2)c1 225590950 WSRBRUGPKRXVBF-UHFFFAOYSA-N 328.375 2.988 30 40 EFEB C=CCO[C@H]1CCN(C(=O)c2cncc(C)c2)[C@H]1Cc1cccnc1 96200536 QQCZRHNPMDUAPY-OALUTQOASA-N 337.423 2.813 30 40 EFEB CC(C)[C@@](C)(C#N)NC(=O)CN(C)Cc1c(F)cccc1Cl 57863855 VJCQXRAIKLUINB-MRXNPFEDSA-N 325.815 2.965 30 40 EFEB C=CCOc1ccc(/C=N/NS(=O)(=O)c2ccccc2)cc1OC 3575072 BNMGNFDQKPPSQJ-QGOAFFKASA-N 346.408 2.572 30 40 EFEB O=S(=O)(Cc1ccc(F)cc1)/N=C(\O)CCc1cscn1 73087247 RARURXRQRYHYRB-UHFFFAOYSA-N 328.390 2.701 30 40 EFEB CCOc1ccc(/C=N\NS(=O)(=O)c2ccc(C)cc2)cc1OC 30731385 BZMKOCXVWQIPGE-PDGQHHTCSA-N 348.424 2.715 30 40 EFEB N#Cc1ccc(S(=O)(=O)Nc2cccc(Cn3cccn3)c2)cc1 31722504 PWERNJBAGHDGCJ-UHFFFAOYSA-N 338.392 2.604 30 40 EFEB C=CCN1C(=O)[C@](O)(CC(=O)c2ccc(OC)cc2)c2ccccc21 299864 AXCRMKDHMONGHG-FQEVSTJZSA-N 337.375 2.688 30 40 EFEB C#CCOc1ccc(/C=C2\SC(=O)NC2=O)cc1Br 6943324 HPKKHVDCAIFXHF-XFFZJAGNSA-N 338.182 2.785 30 40 EFEB COC(=O)c1ccc(/C=N/Nc2nn3cnnc3c3ccccc23)cc1 1250628 XKLLOLPGLRNPPQ-VXLYETTFSA-N 346.350 2.510 30 40 EFEB Cc1cn2c(n1)CC[C@H](NC(=O)c1c(C)oc(-n3cccc3)c1C#N)C2 97198271 MQEGYJSLCPJLTL-AWEZNQCLSA-N 349.394 2.500 30 40 EFEB N#CC1(CS(=O)(=O)N[C@H]2CCCC[C@H]2OCc2ccccc2)CC1 97144687 NKDXSWWXCOZQNH-DLBZAZTESA-N 348.468 2.738 30 40 EFEB Cc1ccsc1C(=O)N1CCN(Cc2ccc(C#N)cc2)CC1 14137472 FHJKNTWGLIIXKD-UHFFFAOYSA-N 325.437 2.886 30 40 EFEB Cc1cc(C)n(/N=C\c2ccc(Br)cc2)c(=O)c1C#N 4656795 FNYSLZMBFCYCOZ-NVMNQCDNSA-N 330.185 2.982 30 40 EFEB CCCn1/c(=N\C(=O)C2(C#N)CCOCC2)n(CC)c2ccccc21 585087148 TYOSTAJPDMVVEQ-UZYVYHOESA-N 340.427 2.620 30 40 EFEB COc1ccc(OCCSCC(=O)N[C@](C)(C#N)C2CC2)cc1 50250256 IGBUKJXEAHFWOV-QGZVFWFLSA-N 334.441 2.616 30 40 EFEB COc1cccc(/C=C\C(=O)c2sc(C(N)=S)nc2C)c1O 5810460 FGQSEGPUAAJKPA-SREVYHEPSA-N 334.422 2.696 30 40 EFEB C=CCN1c2cccnc2-n2cccc2[C@]12CCN(C(=O)[C@@H]1C[C@@H]1C)C2 2056226248 NVEHLXAOOHBLSV-GCKMJXCFSA-N 348.450 2.962 30 40 EFEB C#CCN(Cc1cc(=O)n2ccsc2n1)[C@@H]1CCc2ccccc21 52845770 AAVCLHCCLIOEAJ-QGZVFWFLSA-N 335.432 2.879 30 40 EFEB CCCN1C(=O)[C@@](O)(CC(=O)/C=C/c2ccco2)c2ccccc21 565287 XOGKYMODMWWAAN-JBVUFVISSA-N 325.364 2.896 30 40 EFEB C#CCOc1cccc(NC(=O)NC[C@](C)(O)c2ccsc2)c1 77704423 HCVWKMNOGBHXAF-KRWDZBQOSA-N 330.409 2.789 30 40 EFEB Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)/N=C(\O)[C@@H](C)OCC(C)C 58245214 YFWXLUXPSLSIPJ-LLVKDONJSA-N 344.389 2.610 30 40 EFEB COc1cc(N/C=C2\C(=O)Oc3ccccc3C2=O)cc(OC)c1 100987979 CKYLVENKCOPVQI-GDNBJRDFSA-N 325.320 2.802 30 40 EFEB CCCCc1nc(C)c(/C(O)=N/S(=O)(=O)c2cccnc2)s1 48533160 LOXXNKOIMQAPIT-UHFFFAOYSA-N 339.442 2.883 30 40 EFEB O=C1[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)N1N=Cc1cccn1-c1ccccc1 409409017 SONFKOYEYCRSNZ-DFEHZGFQSA-N 331.375 2.618 30 40 EFEB Cc1nc([C@@H]2CCCCCN2C(=O)COc2ccccc2C#N)no1 96001103 WROWFADBIQAIAR-HNNXBMFYSA-N 340.383 2.772 30 40 EFEB N#Cc1ccc(COC(=O)CN2C(=O)CSc3ccccc32)cc1 6787620 MJOHVRRIHXDFNI-UHFFFAOYSA-N 338.388 2.740 30 40 EFEB CCO[C@H](C)/C(O)=N/S(=O)(=O)c1ccc(F)c(C(F)(F)F)c1 71883905 SQAXLVCCQDNAIG-SSDOTTSWSA-N 343.298 2.915 30 40 EFEB CCCN(CC#N)C(=O)c1ccc2c(c1)[nH]c(=O)n2C1CCCC1 69415894 QKYHECBPNFBEKZ-UHFFFAOYSA-N 326.400 2.820 30 40 EFEB N#Cc1cc(F)c(NCCNC(=O)c2c(F)cccc2F)c(F)c1 71903137 DCGJZKRMKAQJMZ-UHFFFAOYSA-N 337.276 2.957 30 40 EFEB CN(CCc1nccs1)[C@H]1CCCN(c2ccc(C#N)cc2)C1=O 97048495 WPDNRICLNQKONF-INIZCTEOSA-N 340.452 2.685 30 40 EFEB COc1ccc2cccc(CC(=O)N[C@]3(C#N)CCSC3)c2c1 95435926 KJOZQONCRZAVFC-SFHVURJKSA-N 326.421 2.906 30 40 EFEB CC1(C)C(=O)Nc2ccc(S(=O)(=O)Nc3ccc(C#N)cc3)cc21 49659750 USZJWAULMROZJG-UHFFFAOYSA-N 341.392 2.589 30 40 EFEB CC(C)C[C@H](C)Oc1cc(C/N=C(/O)N2CCO[C@@H](C#N)C2)ccn1 330724367 GTDWYAMRBBMXIM-HOCLYGCPSA-N 346.431 2.533 30 40 EFEB N#Cc1ccc(N2CCC(NC(=O)N3CCCCCC3)CC2)nc1 67470227 WTQSRCDTTNXRAJ-UHFFFAOYSA-N 327.432 2.508 30 40 EFEB COC(=O)c1c(C)oc(NC(=O)c2ccc(F)c(F)c2F)c1C#N 12295026 RFCQVDOTVIHFDH-UHFFFAOYSA-N 338.241 2.916 30 40 EFEB C=C[C@](C)(O)[C@@H]1C[C@H]2[C@](C)(O1)[C@H](O)[C@@H](O)[C@H]1C(C)(C)CCC[C@]12C 248040139 UNORIIWPFZFSEC-OEYLYHFRSA-N 338.488 2.655 30 40 EFEB biogenic,in-vitro Cc1ncnc(N(C)CC2CCN(c3ccc(C#N)nc3)CC2)c1F 1888863705 YLCQTXJJCLNKSG-UHFFFAOYSA-N 340.406 2.544 30 40 EFEB COP(=O)(OC)[C@H](O)C(F)(F)C(F)(F)C(F)(F)C(F)F 3203608 WBLCJLSTEBOHIV-BYPYZUCNSA-N 340.103 2.962 30 40 EFEB CN1CCN(c2ncccc2CNc2c(F)cc(C#N)cc2F)CC1 58289424 LOPIVFWPMGRUEA-UHFFFAOYSA-N 343.381 2.595 30 40 EFEB C=CCN(Cc1ccccc1)C(=O)CNC(=O)c1cc(C)oc1C 58228296 ZXHOEDUFTIZODP-UHFFFAOYSA-N 326.396 2.841 30 40 EFEB N#CCCNC(=O)COC(=O)C1(Cc2ccccc2)CCCCC1 10574959 KMQIAHDWMDGPTQ-UHFFFAOYSA-N 328.412 2.753 30 40 EFEB CC1(C)CC(=O)C2=C(C1)N(c1ccccc1)C(=O)[C@]2(O)C(F)(F)F 6733533 RULMSDQKTPKAPZ-INIZCTEOSA-N 339.313 2.970 30 40 EFEB CC(C)(C#N)c1ccc(NC(=O)N[C@@H]2CCO[C@]3(CCOC3)C2)cc1 95458150 PEVWHBKBHIAQLI-VQIMIIECSA-N 343.427 2.947 30 40 EFEB N#Cc1cnc(SCC(=O)Nc2ccc3ccccc3c2)nc1N 4935397 ROUJWTODNXWPGI-UHFFFAOYSA-N 335.392 2.814 30 40 EFEB C#CCN1CCC(C(=O)N[C@@H](C)[C@H](OC)c2ccc(Cl)cc2)CC1 96412151 JLCMBJMJYDSKTE-KSSFIOAISA-N 348.874 2.877 30 40 EFEB N#Cc1ccc(N2CCC[C@H](N3CCNC3=O)C2)cc1C(F)(F)F 71907722 RQFQDOSIDGNHHZ-ZDUSSCGKSA-N 338.333 2.571 30 40 EFEB CCC(=O)N1CCC[C@@H]1[C@H]1CCCN1CCOc1ccc(C#N)cc1 69668467 RBCGGIZIDHWPQT-RTBURBONSA-N 341.455 2.802 30 40 EFEB CC(C)(C)OC(=O)NCCC(=O)N[C@](C)(C#N)CCc1ccccc1 69741654 CJWCEAXZEKQTNG-IBGZPJMESA-N 345.443 2.932 30 40 EFEB O=c1c2ccccc2nc(O)n1N=Cc1cccn1-c1ccccc1 409360913 PMYBLDZBVPKOSL-UHFFFAOYSA-N 330.347 2.775 30 40 EFEB C=CCN(c1ccc2c(c1)OCO2)S(=O)(=O)c1ccc(OC)cc1 224857608 KOFQORSJGLJMLY-UHFFFAOYSA-N 347.392 2.805 30 40 EFEB C=CCOC[C@]12CCCO[C@@H]1CCN(C(=O)Cc1cccs1)C2 96039667 LMPIVUKXTLLTTG-SJLPKXTDSA-N 335.469 2.891 30 40 EFEB Cn1cc(C#N)cc1C(=O)N1CCCCC[C@@H]1C[C@H](O)c1ccco1 96472291 WAPHTTTVWPAPPZ-WBVHZDCISA-N 341.411 2.998 30 40 EFEB CN(Cc1nccs1)[C@@H]1CC12CCN(c1ccnc(C#N)c1)CC2 289615602 LCQLVESMTSYBKR-MRXNPFEDSA-N 339.468 2.901 30 40 EFEB O=C(NCC#CCOc1ccc2c(c1)OCO2)c1ccc2[nH]ccc2c1 90730912 QPWUYEPBJYHXNO-UHFFFAOYSA-N 348.358 2.709 30 40 EFEB N#Cc1c(NC(=O)[C@@H]2[C@@H](C(=O)O)[C@H]3C=C[C@H]2C3)sc2c1CCCC2 102633271 DNWRHFPOGGGALB-CHPZLBCBSA-N 342.420 2.960 30 40 EFEB O=c1c2c3c(sc2ncn1/N=C/c1ccccc1O)CCCC3 192592 GOKUSVIQUCOLNR-DJKKODMXSA-N 325.393 2.925 30 40 EFEB CC/N=C1\S[C@@H](CC(=O)N[C@H](C)c2ccccc2)C(=O)N1CC 100640131 AMSMDYHRNCZFJL-ADOJXBPXSA-N 333.457 2.594 30 40 EFEB CO/N=C(/CS(=O)(=O)c1ccc(C)cc1)c1ccc(OC)cc1 1382789 HMDFGZHNDLMADT-ZCXUNETKSA-N 333.409 2.828 30 40 EFEB Cc1nccc(CNC(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)n1 78938090 HNVIGTBFFXKJGA-UHFFFAOYSA-N 335.289 2.997 30 40 EFEB Cc1ccc/c(=N/S(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)[nH]1 79051763 UTGSSAQUWIGUKT-UHFFFAOYSA-N 341.314 2.503 30 40 EFEB N#CCCn1ccc(NC(=O)NCc2ncc(-c3ccccc3)[nH]2)n1 97083023 NSUIQPCQSYQUGI-UHFFFAOYSA-N 335.371 2.509 30 40 EFEB C[C@H](CNc1cc(C#N)ccc1C(F)(F)F)N1CCN(C)CC1 97096756 UCTCJOWQYSQREC-GFCCVEGCSA-N 326.366 2.625 30 40 EFEB COC(=O)c1cc(C(=O)Nc2ccc(C#N)cc2)n(-c2ccccc2)n1 65548777 QZFNRHAOENYLGG-UHFFFAOYSA-N 346.346 2.783 30 40 EFEB C#CCN1CCC(C(=O)OCc2cnc(-c3cccs3)o2)CC1 96425265 OUMVOOSAFLSRNE-UHFFFAOYSA-N 330.409 2.792 30 40 EFEB Cc1ccc2c(c1C)OC[C@H]2NS(=O)(=O)Cc1cccc(C#N)c1 71888413 PESQGALPMNUPLO-QGZVFWFLSA-N 342.420 2.728 30 40 EFEB Cc1cccc2c(=O)n(CCC(=O)Oc3ccc(C#N)cc3)cnc12 16468354 JDSGQJCNEUMZEW-UHFFFAOYSA-N 333.347 2.572 30 40 EFEB C#CCn1cc(CN(C)C(=O)Nc2ccc(OCC(C)C)nc2)cn1 89856401 JIYYUZZJOKNIPS-UHFFFAOYSA-N 341.415 2.610 30 40 EFEB N#Cc1cccc(C(=O)NC[C@](O)(c2ccco2)c2cccs2)c1 225585104 WUTJRQYARKDMPB-SFHVURJKSA-N 338.388 2.879 30 40 EFEB C[C@@H](C#N)CN(C)S(=O)(=O)N1CCC[C@@H]1c1cccc(Cl)c1 225706077 DYIYGVQERLPMOJ-SWLSCSKDSA-N 341.864 2.813 30 40 EFEB CC(C)C(=O)N[C@@H]1CCCN(c2nc(C(F)(F)F)ccc2C#N)C1 96406523 XUGVJQUVLFVUCL-GFCCVEGCSA-N 340.349 2.713 30 40 EFEB C[C@@H](C#N)CN(C)C[C@]1(O)CC[C@@H](N(C)C(=O)OC(C)(C)C)CC1 585088416 VKTDYUXVYOAVOV-RLFYNMQTSA-N 339.480 2.618 30 40 EFEB C[C@H](CC#N)N(C)S(=O)(=O)N(C)CCc1cccc2ccccc12 282414723 BCTOZEZXWBKMCR-OAHLLOKOSA-N 345.468 2.793 30 40 EFEB CN(C)c1ccc(/C=N/c2cccc(N(C)S(C)(=O)=O)c2)cc1 19855703 DQEAKHBZCMKNFP-QGOAFFKASA-N 331.441 2.899 30 40 EFEB CC(=O)[C@H]1C[C@H](O)[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@H](O)C[C@]12C 4722801 BXGCPPYCSCLHER-LBZTYHDASA-N 346.467 2.665 30 40 EFEB in-vitro C=CCn1c(C)nnc1S[C@H](C(=O)NC1CC1)c1ccccc1 7087140 ULXULXNDPYVXAZ-HNNXBMFYSA-N 328.441 2.885 30 40 EFEB C=CCNC(=O)NC(=O)CN[C@H](C)c1ccc(Cl)cc1Cl 57326966 XZQLTLHYNXDBIL-SECBINFHSA-N 330.215 2.656 30 40 EFEB CC(C)(C)[C@H]1CCCC[C@@H]1NC(=O)NCCCc1n[nH]c(N)c1C#N 48279049 IJWGGOLYIVZYPS-ZFWWWQNUSA-N 346.479 2.700 30 40 EFEB N#CCCN(Cc1ccco1)C(=O)[C@H]1CC(=O)N(c2ccccc2)C1 58203033 ZYCSQIIVQJLNDH-HNNXBMFYSA-N 337.379 2.575 30 40 EFEB N#CCCN(CC1CC1)C(=O)[C@H](O)c1ccc(Br)cc1 95450385 YVAPGEPZTJYLMT-CQSZACIVSA-N 337.217 2.635 30 40 EFEB N#Cc1ccc(NC(=O)COCC(=O)NCCC2=CCCCC2)cc1 4698771 BGNFKZYLRINART-UHFFFAOYSA-N 341.411 2.520 30 40 EFEB N#Cc1cc([N+](=O)[O-])ccc1N1CCN(c2ccccc2F)CC1 6822721 QZEBWSJEHRFQLG-UHFFFAOYSA-N 326.331 2.932 30 40 EFEB N#Cc1cccc(CS(=O)(=O)N2CCCc3sccc3C2)c1 71888423 FABJZAAUMYGLKX-UHFFFAOYSA-N 332.450 2.898 30 40 EFEB CN/C(=N\Cc1cn(-c2ccc(F)cc2)nc1C)NCc1ccco1 75127448 FYGSKBILMGXLME-UHFFFAOYSA-N 341.390 2.778 30 40 EFEB Cc1cc(N2CCCC2)ccc1C=NN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 409409500 VRQDZGQISDROJY-STEAMIEHSA-N 349.434 2.736 30 40 EFEB Cn1cc(/N=C/c2cc([N+](=O)[O-])ccc2O)c(=O)n1-c1ccccc1 38176339 PCQMWKBPEAJPQQ-VCHYOVAHSA-N 338.323 2.540 30 40 EFEB COC(=O)[C@@H](c1cccc(C#N)c1)N1CCC(OCC2CC2)CC1 83216410 APAUEIGNXFLCJU-GOSISDBHSA-N 328.412 2.663 30 40 EFEB C=CCN(c1ccc(F)cc1)S(=O)(=O)c1ccc2c(c1)OCCO2 224831534 OMVQAEKVGQIHMB-UHFFFAOYSA-N 349.383 2.978 30 40 EFEB C=CCN(C1CC1)S(=O)(=O)c1ccc2oc(C(=O)O)c(C)c2c1 576939557 ADMLUGAMHJKTIQ-UHFFFAOYSA-N 335.381 2.779 30 40 EFEB COC(=O)[C@@H](CNC(=O)C1(C#N)CCCC1)Cc1ccc(C)cc1 69632946 VDFDOSOSUGTCOU-MRXNPFEDSA-N 328.412 2.527 30 40 EFEB CN(C(=O)OC(C)(C)C)c1cnccc1B1OC(C)(C)C(C)(C)O1 953089575 ALTGPSKXSQBQSC-UHFFFAOYSA-N 334.225 2.752 30 40 EFEB CNC(=O)COc1ccc(/C=C/C(=O)c2cccc(F)c2)cc1OC 44012905 CSMGKQHIWRZOJH-SOFGYWHQSA-N 343.354 2.855 30 40 EFEB C=CCN1CCOCC2(CCN(C(=O)C3CCC(C)CC3)CC2)C1 1565551020 IWCCCVZTHLVHIW-UHFFFAOYSA-N 334.504 2.940 30 40 EFEB C=CCN(CC=C)S(=O)(=O)c1ccc(C(=O)N2CCCCC2)cc1 4173428 HCSRMSPYDZSAJT-UHFFFAOYSA-N 348.468 2.675 30 40 EFEB C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CN4CCN(CC)CC4)[C@H]3C[C@H]12 20112143 IRYDAUQTHJLBSW-DRJBRKBZSA-N 346.515 2.938 30 40 EFEB biogenic CCCCc1nc(N2CCN(C(C)=O)CC2)c(C#N)c2c1CCCC2 20591478 ZUNMURQCJJYQIE-UHFFFAOYSA-N 340.471 2.843 30 40 EFEB CCOC(=O)c1ccc(OC/C(=N/O)c2ccc(O)cc2O)cc1 32502195 WDTUSKUDIFYLFJ-SDXDJHTJSA-N 331.324 2.532 30 40 EFEB Cc1cc(S(=O)(=O)N(CCC#N)CC(F)(F)F)sc1C 97117306 VDTHOKMHWMQSPY-UHFFFAOYSA-N 326.365 2.832 30 40 EFEB COc1cccc([C@@H](C#N)NC(=O)c2cc(C(C)C)[nH]n2)c1OC 78510850 ODIJPMPWSOURQG-CQSZACIVSA-N 328.372 2.545 30 40 EFEB Cc1cc(/C=N/NC(=S)NC[C@H]2CCCO2)c(C)n1CC(C)C 6685382 DHZRLYHAPLUCKF-LEKRSAHOSA-N 336.505 2.738 30 40 EFEB COc1ccc(C)cc1NC(=O)COC(=O)c1ccc(C#N)cc1F 8369940 CUHJUKGBYDFWBY-UHFFFAOYSA-N 342.326 2.810 30 40 EFEB C[C@@H](CCN1CCN(c2ccccc2)CC1)Nc1ncccc1C#N 29620462 JGCIEGQLXUSZFE-KRWDZBQOSA-N 335.455 2.966 30 40 EFEB CCCc1noc([C@@H](C)N2CCN(c3cccc(F)c3C#N)CC2)n1 29860520 YTDQOLQFBFCWBK-CYBMUJFWSA-N 343.406 2.916 30 40 EFEB CC(=O)NCCCCC/C(O)=N/S(=O)(=O)c1ccc(C)cc1C 48475114 FMXQBGOFXXIBEJ-UHFFFAOYSA-N 340.445 2.645 30 40 EFEB CC(=O)NCCCCC/C(O)=N/S(=O)(=O)c1ccc(Cl)cc1 48409595 WZRWLKKOHNCCMP-UHFFFAOYSA-N 346.836 2.682 30 40 EFEB Cc1ccc2nc(C3=C(N)N(Cc4ccccc4F)CC3=O)[nH]c2c1 15859752 DBTILVUHGBUMPC-UHFFFAOYSA-N 336.370 2.723 30 40 EFEB Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)Nc1cccc2cccnc12 9690695 JHXKUYVVFZGVLF-UHFFFAOYSA-N 346.390 2.983 30 40 EFEB C[C@@H](OC[C@H]1CCCO1)/C(O)=N/S(=O)(=O)c1cccc(Cl)c1 69282959 CPUWALFULUAOEE-ZYHUDNBSSA-N 347.820 2.569 30 40 EFEB O=S(=O)(Cc1cc(Cl)ccc1F)/N=C(\O)c1cccnc1 95426621 ZFXQUKVNTROWJK-UHFFFAOYSA-N 328.752 2.709 30 40 EFEB CN(CC(F)(F)C(F)(F)F)S(=O)(=O)c1cccc(F)c1C#N 95961852 WHKIBKZZSCSAOA-UHFFFAOYSA-N 346.252 2.515 30 40 EFEB Cc1ccc(S(=O)(=O)/N=C(\O)NCc2ccc(F)cc2)cc1C 62710899 OWVMXLXFBHRYMC-UHFFFAOYSA-N 336.388 2.835 30 40 EFEB CN1C(=O)/C(=N/Nc2ccc(Cl)c(C(=O)O)c2)c2ccccc21 35738607 RQDMAINKFODQQF-XMHGGMMESA-N 329.743 2.831 30 40 EFEB COc1ccc(CCNC(=O)NCC#CCN(C(C)C)C(C)C)cc1 75164530 SFGXRPNODDKIOF-UHFFFAOYSA-N 345.487 2.659 30 40 EFEB Cc1ccc(S(=O)(=O)[C@@H]2[C@H](c3ccc(Cl)cc3)[C@]2(N)C#N)cc1 242649111 RURPZEFAAXJVBA-GVDBMIGSSA-N 346.839 2.809 30 40 EFEB N#CCOc1ccc(CN2CCCC[C@@H]2CCn2ccnn2)cc1 1616034427 FQHMITLADBHELN-QGZVFWFLSA-N 325.416 2.625 30 40 EFEB C=CCn1cc(CN2C[C@@H]3CCCN3C[C@H]2CCSC)c(C)n1 19552337 OSUHMXPDIOQWOQ-ZWKOTPCHSA-N 334.533 2.779 30 40 EFEB Cc1nc(S(=O)(=O)n2cnc3ccccc32)c(C#N)c(C)c1Cl 4776428 LUUQTOODWARJJN-UHFFFAOYSA-N 346.799 2.810 30 40 EFEB C=CCO[C@H]1CN(C(=O)c2cc3ccccc3n2C)[C@@H]2CCCO[C@H]12 2055756540 UBBYPRUGVAPIEZ-NEWSRXKRSA-N 340.423 2.753 30 40 EFEB Cc1cc(C)nc(O[C@H]2CCCN(C(=O)c3cccc(C#N)c3)C2)n1 585340105 NYUIHHFBILWOBF-KRWDZBQOSA-N 336.395 2.649 30 40 EFEB C/N=C1\S[C@@H](CC(=O)Nc2cccc(C(F)(F)F)c2)C(=O)N1C 101127029 RQNSMEBTBJWQAR-ZPEMJIOOSA-N 345.346 2.594 30 40 EFEB C[C@H](C(=O)NC1CCCC1)N1CCCN(c2ccccc2C#N)CC1 52801044 YGQQEPRYOXQSSV-MRXNPFEDSA-N 340.471 2.518 30 40 EFEB CC[C@@H]1S/C(=N/S(=O)(=O)c2ccc(Cl)cc2)N(CC)C1=O 4744555 XRUUIMMGSYNTQN-VJSMGTLGSA-N 346.861 2.759 30 40 EFEB Cc1nn(C)c(C)c1[C@@H]1CCCN1C(=O)c1ccccc1OCC#N 105850008 AFGGSQIJHQRMRR-INIZCTEOSA-N 338.411 2.917 30 40 EFEB C[C@H]1COCCN1CC(=O)Nc1ccccc1S[C@H](C)CC#N 108348651 KIZMJSMSEOXLAK-UONOGXRCSA-N 333.457 2.740 30 40 EFEB C/N=C(\NC)NC[C@H](c1ccccc1)N1CCc2sccc2C1 58185087 LLYPNSVOTLEWDA-MRXNPFEDSA-N 328.485 2.642 30 40 EFEB C#CCN1CCC(C(=O)NCCc2ccccc2C(F)(F)F)CC1 58393106 PNJYCILHODAEIG-UHFFFAOYSA-N 338.373 2.709 30 40 EFEB N#C[C@@H](c1c(F)cccc1Cl)N1CCN(c2cnccn2)CC1 96443269 ZVXGHOKZCKEYCN-AWEZNQCLSA-N 331.782 2.656 30 40 EFEB C#CCN1CCC(C(=O)N2CCSC[C@H]2c2ccc(C)cc2)CC1 96407398 URSXLSMLXNNVNL-IBGZPJMESA-N 342.508 2.957 30 40 EFEB CCCc1nnc(/N=C(\O)CC(=O)Nc2ccccc2C(=O)O)s1 17029243 KVEWPCYZWDCXFC-UHFFFAOYSA-N 348.384 2.806 30 40 EFEB CCO[C@H]1C[C@@H](O)C12CCN(c1cc(C#N)c3ccccc3n1)CC2 95400830 RICNYOFQVOQCMP-MSOLQXFVSA-N 337.423 2.863 30 40 EFEB N#CC1(C(=O)Nc2ccc(I)cn2)CCCC1 76022123 OSFQWYHWSAPNKA-UHFFFAOYSA-N 341.152 2.709 30 40 EFEB CCCc1ccc(S(=O)(=O)/N=C(\O)[C@@H]2C[C@H]2c2cnn(C)c2)cc1 78556471 MOWKTIBQOBJVBI-JKSUJKDBSA-N 347.440 2.822 30 40 EFEB N#Cc1cccc(C(=O)Nc2ccc(NC(=O)[C@@H]3CCCO3)cc2)c1 32809411 OCHNDWHDNOMEHF-KRWDZBQOSA-N 335.363 2.928 30 40 EFEB C=C[C@H](CC(=O)N1CCC2(CC1)CC(C(=O)O)=NO2)c1ccccc1 1588691082 QUIKFSXSRHGBHF-CQSZACIVSA-N 342.395 2.568 30 40 EFEB O=S(=O)(/N=C(\O)[C@H]1CC=CCC1)c1cnn(Cc2ccccc2)c1 96452592 NJJQSSLLOWTUSP-HNNXBMFYSA-N 345.424 2.933 30 40 EFEB CN(CC(=O)Nc1sccc1C#N)Cc1ccccc1[N+](=O)[O-] 26346642 JVGHJVBADMJAFD-UHFFFAOYSA-N 330.369 2.598 30 40 EFEB [CH]1SN=N[C@@H]1c1cc([C@H]2C=S=NN2)cc([C@@H]2C=[S+]N=N2)c1 368027399 DTZJFWDXSKHIFR-WOPDTQHZSA-N 334.455 2.938 30 40 EFEB C=CCn1c(O)c(C(=O)Nc2ccccc2O)c(=O)c2ccccc21 4752072 MIUUOBGRAQSAOC-UHFFFAOYSA-N 336.347 2.851 30 40 EFEB CCNC(=S)N/N=C/c1cc(Cl)c(O)c(Br)c1 6843269 NXVFGADRZIOJJX-LHHJGKSTSA-N 336.642 2.626 30 40 EFEB O=S(=O)(Cc1ccc(Cl)nc1)/N=C(\O)c1ccnc(Cl)c1 58153930 CNBPPIHZNVCLJO-UHFFFAOYSA-N 346.195 2.618 30 40 EFEB COc1cc(C(=O)/C=C2\C(=O)Nc3ccccc32)cc(OC)c1OC 2106916 VLARYZURBZCEOD-RAXLEYEMSA-N 339.347 2.931 30 40 EFEB biogenic,in-vitro N#Cc1cccc(CNC[C@H](c2ccc(F)cc2)N2CCOCC2)c1 48355050 XBZOVYPFYSWCFS-HXUWFJFHSA-N 339.414 2.860 30 40 EFEB N#Cc1nc(-c2ccco2)oc1N1CCN(Cc2ccccn2)CC1 46512042 ADPHSYCXZVDSHT-UHFFFAOYSA-N 335.367 2.523 30 40 EFEB CC(=O)[C@H]1CC[C@H]2[C@@H]3C[C@@H](O)C4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@]12C 118926378 KDHBHXVDYRGRDL-OJHXZJMFSA-N 346.467 2.665 30 40 EFEB N#Cc1ccc(NC[C@@H]2CCN(c3ncnc4ccccc34)C2)nc1 65474451 YFIRMKNPIBFXOM-HNNXBMFYSA-N 330.395 2.835 30 40 EFEB C/C(Cn1nc(C)cc1C)=N\NC(=S)Nc1cccc(C(=O)O)c1 6399992 LYRQEJOOUGBZCF-WOJGMQOQSA-N 345.428 2.561 30 40 EFEB N#CC1(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2Cl)CCCCC1 6600320 ARIYVHRFPDVVQT-UHFFFAOYSA-N 343.792 2.753 30 40 EFEB N#Cc1ccc(S(=O)(=O)Nc2ccnn2Cc2ccccc2)cc1 66249455 QDPMUXCQHQDSBE-UHFFFAOYSA-N 338.392 2.604 30 40 EFEB Cc1cccc(C2(/C(O)=N/S(=O)(=O)c3cnn(C)c3)CCCC2)c1 71862763 HBOOBLCYFVGQNC-UHFFFAOYSA-N 347.440 2.886 30 40 EFEB Cc1ccc([C@@H]2[C@@H](S(=O)(=O)c3ccc(Cl)cc3)[C@@]2(N)C#N)cc1 218481647 FGUZPQFCMDISOL-BRWVUGGUSA-N 346.839 2.809 30 40 EFEB C#Cc1cccc(NC(=O)C(=O)N(C)[C@@H]2CC[C@H](SCC)C2)c1 131664882 QWFDQSQLDBWHDP-CVEARBPZSA-N 330.453 2.739 30 40 EFEB N#C[C@@]1(C=O)[C@@H](S(=O)(=O)c2ccccc2)[C@@H]1c1cccc(Cl)c1 225659315 JRXUQBLTUKNJPY-ULQDDVLXSA-N 345.807 2.989 30 40 EFEB CC#CCCNC(=O)N1CCC[C@@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]21 1615572360 XGEQDXSUSULPOV-CVEARBPZSA-N 349.475 2.831 30 40 EFEB N#Cc1ccc(Cl)c(C(=O)NC[C@@H]2CCCO[C@H]2c2cn[nH]c2)c1 600618415 RBSQUVHKQPCVDE-BLLLJJGKSA-N 344.802 2.832 30 40 EFEB N#Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)OC(F)(F)O3)cc1 12541927 JAAPJMKAMOJHCZ-UHFFFAOYSA-N 338.291 2.681 30 40 EFEB C=CCOc1ccccc1C(=O)N1CC[C@H]([C@H](F)C(=O)OCC)C1 585130064 GRVCCPHHYXLISH-BBRMVZONSA-N 335.375 2.615 30 40 EFEB CC(C)Oc1ccc(C(=O)OCC(=O)N[C@@](C)(C#N)C(C)C)cc1 4331730 XRNUATCHNXGDQK-SFHVURJKSA-N 332.400 2.685 30 40 EFEB CC(C)(C)c1ccc(OC[C@@H]2CCN(c3ccc(C#N)cn3)C2)nn1 1888843718 XZELWTCOWHJAED-OAHLLOKOSA-N 337.427 2.946 30 40 EFEB CCOC(=O)C1=C(N)OC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccoc1 545935 BIYWJEQUJIRZCC-ZDUSSCGKSA-N 331.368 2.770 30 40 EFEB N#Cc1cc(NC[C@@H](O)Cc2ccc(F)cc2F)ccc1[N+](=O)[O-] 97145511 IQDKBDGZNOKLBG-AWEZNQCLSA-N 333.294 2.760 30 40 EFEB Cc1cc(F)c(S(=O)(=O)/N=C(\O)c2csnc2C)cc1F 97138844 IRLBCUGZYLTMRQ-UHFFFAOYSA-N 332.353 2.732 30 40 EFEB CC(C)C[C@](C)(C#N)NC(=O)CN1C(=O)CSc2ccccc21 95393481 SUFGHGMDOJBCFA-QGZVFWFLSA-N 331.441 2.570 30 40 EFEB C=CCc1ccc(OCC(=O)N2CCO[C@H]3CCCC[C@H]32)c(OC)c1 46484507 NMUJWWYTKJLXBZ-SJORKVTESA-N 345.439 2.973 30 40 EFEB CC(=O)c1cccc(N2CC(=O)C(c3nc4ccc(C)cc4[nH]3)=C2N)c1 5182823 YVDNNIOLYWSECP-UHFFFAOYSA-N 346.390 2.791 30 40 EFEB N#C[C@H](c1ccccc1)N1CCN(C(=O)c2ccc(F)c(F)c2)CC1 14158392 DQFNCFIGKGXUBZ-GOSISDBHSA-N 341.361 2.987 30 40 EFEB C#CCOc1cccc([C@H](C)NC(=O)N[C@@H](C)c2cnn(C)c2)c1 95962463 BZNLRDHNJYZIMC-KBPBESRZSA-N 326.400 2.554 30 40 EFEB Cc1nc(C)c(C(=O)NCC#CCN2CCc3ccccc3C2)s1 75165021 LERWBRULZBJWFJ-UHFFFAOYSA-N 339.464 2.551 30 40 EFEB C=CCO[C@H]1CC[C@H]2[C@H]1OCCN2C(=O)c1cc(F)c(F)cc1C 96042055 JUYWZJZKTYAIET-YESZJQIVSA-N 337.366 2.848 30 40 EFEB Cc1noc([C@H]2CN(c3nc(C)c(C#N)cc3Cl)C[C@@H](C)O2)n1 599155663 VYGWDRBUVWJZAD-AMIZOPFISA-N 333.779 2.573 30 40 EFEB CO/N=C/Nc1nc2nccc(/C=C\c3ccc(Cl)cc3)n2n1 12950131 JMXPBLQIVVVVLV-DAXSKMNVSA-N 328.763 2.950 30 40 EFEB C=C[C@@H](O)C#CC#C[C@H](O)/C=C/CCCCCCCCOC(C)=O 14616231 VVURZXYIXNNJCG-LAZDNIIUSA-N 332.440 2.751 30 40 EFEB endogenous,in-man COc1cccc(/C=N/Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1OC 5352564 QSLWBHHHPDIASC-CXUHLZMHSA-N 346.299 2.966 30 40 EFEB Cc1cccc(N2CCN(C(=O)COc3ccc(C#N)cc3)C[C@H]2C)c1 5689706 CWBYAAAATGUUTF-QGZVFWFLSA-N 349.434 2.983 30 40 EFEB CCN(C[C@H](C)C#N)C(=O)c1ccccc1I 42397149 FJOCXXGFKKWENJ-SNVBAGLBSA-N 342.180 2.913 30 40 EFEB C/N=C1/S/C(=C/c2ccc(O)c(Br)c2)C(=O)N1C 9323309 RDTYDARNDCRSJY-LYZYBJJASA-N 327.203 2.687 30 40 EFEB C=CCNC(=O)c1ccc(NC(=O)NCc2ccccc2OC)cc1 48149205 JPYNJAWGRVWFPB-UHFFFAOYSA-N 339.395 2.933 30 40 EFEB Cc1ccc(C(=O)[C@@H](C#N)C(=O)[C@H]2CCCN(C(=O)C3CC3)C2)s1 102763788 FMCXPDLTMCJRJD-KBPBESRZSA-N 344.436 2.597 30 40 EFEB COc1cccc(/C(O)=N/S(=O)(=O)Cc2ccc(Cl)nc2)c1 58150984 URQVJTPTIUYYOH-UHFFFAOYSA-N 340.788 2.578 30 40 EFEB O=C1C(O)=C(C2=C(O)C(=O)c3ccccc3C2=O)C(=O)c2ccccc21 100004914 ISTBADQWZSTTOA-UHFFFAOYSA-N 346.294 2.769 30 40 EFEB C=CCN(Cc1cccc(C#N)c1)S(=O)(=O)c1cccc(C#N)c1 63310473 OHNKCUUOPRPDER-UHFFFAOYSA-N 337.404 2.807 30 40 EFEB CC[C@H](C)NC(=O)CCNCc1ccc(OC)c(OCCCC#N)c1 64614154 XZEWIDXVKPCRRF-HNNXBMFYSA-N 347.459 2.772 30 40 EFEB COCc1ccc(C(=O)N2CCN([C@H](C#N)c3ccccc3)CC2)cc1 16149838 GGYGOOGIDDVBRO-HXUWFJFHSA-N 349.434 2.856 30 40 EFEB C#CCOc1ccc(NC(=O)NC[C@@](C)(O)c2cccs2)cc1 96418073 UTMCZSGGKBHRGO-QGZVFWFLSA-N 330.409 2.789 30 40 EFEB C=CCNC(=O)C1(NC(=O)CCC(=O)c2ccccc2)CCCCC1 69389766 IOSZXNSQBXXPPT-UHFFFAOYSA-N 342.439 2.771 30 40 EFEB Cc1ccc(NC(=O)C(=O)N[C@H](C#N)c2ccc(F)cc2F)cc1 72286836 SVCZADIKIHVVJS-OAHLLOKOSA-N 329.306 2.593 30 40 EFEB Cn1cc(N2CC[C@H](Nc3ccc(C(F)(F)F)cc3C#N)C2=O)cn1 89755819 QWYPABJDJYJJIG-AWEZNQCLSA-N 349.316 2.528 30 40 EFEB COc1ccc(/C=N\N2C(=O)CSC2=S)cc1Br 33397307 GKFJSWRNHPSUPJ-ACAGNQJTSA-N 345.243 2.652 30 40 EFEB Cc1cccc(N=C(O)CCNC(=O)c2cccnc2OC(C)C)n1 330031665 CGSFEZFASXGGSS-UHFFFAOYSA-N 342.399 2.980 30 40 EFEB CN(C)[C@H](CNc1ncc([N+](=O)[O-])cc1C#N)c1c(F)cccc1F 96406532 UVSAYJCLRANBAF-CQSZACIVSA-N 347.325 2.854 30 40 EFEB C[C@@H]1OCCN(C(=O)[C@H](C)Cc2ccc(C#N)cc2)[C@@H]1C(F)(F)F 598890183 LLXWNLIGUUZZKD-XUJVJEKNSA-N 340.345 2.915 30 40 EFEB N#Cc1cccc(-c2nnc(COc3cccc(-n4cncn4)c3)o2)c1 72921003 LRUSUEVUUDJXKU-UHFFFAOYSA-N 344.334 2.768 30 40 EFEB CC[C@@H](C)NC(=O)CO/N=C/c1ccc(OC(F)F)c(OC)c1 12619849 GXOROWBNXRETCS-NCMFSIOGSA-N 330.331 2.562 30 40 EFEB COC(=O)[C@H]1CCCCN1c1cccc(B2OC(C)(C)C(C)(C)O2)c1 202754556 JTKOEAYXZFXARP-MRXNPFEDSA-N 345.248 2.518 30 40 EFEB Cc1ccc(CNC(=O)c2sc3nc(N)c(C#N)cc3c2N)cc1 20057904 UVRZFBIUCNDPOS-UHFFFAOYSA-N 337.408 2.571 30 40 EFEB Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N[C@@H]1CCCC[C@H]1C 40510986 UYGDCFKNRFIZRZ-SJKOYZFVSA-N 339.443 2.845 30 40 EFEB CC(C)NC(=O)[C@@H](C#N)C(=O)c1csc(-c2ccccc2F)n1 103654963 RUIRDBKNTQQSAF-NSHDSACASA-N 331.372 2.796 30 40 EFEB O=[N+]([O-])c1cc2oc3c(c2c(/C=N/c2ncn[nH]2)c1O)CCCC3 6862772 MCBJNEUJLIKCIZ-OMCISZLKSA-N 327.300 2.794 30 40 EFEB N#CC1(C#N)[C@@H](c2ccncc2)O[C@]23CCCCC[C@@H]2[C@]1(C#N)C(=N)O3 102718225 LTEPMQYWZQIEHW-RGCFKVTRSA-N 347.378 2.981 30 40 EFEB COc1ccc(CC(=O)/C=C2\NCCc3cc4c(cc32)OCO4)cc1 4090355 XLMJVOOUQUOYBO-ZDLGFXPLSA-N 337.375 2.722 30 40 EFEB biogenic COc1ccc(/C(C)=N/NC(=S)NCc2ccccc2)c(O)c1 5119851 LGYAUJRPXWLOLZ-XDHOZWIPSA-N 329.425 2.789 30 40 EFEB N#C[C@@H](NC(=O)CCNc1ccccc1[N+](=O)[O-])c1ccccc1F 65589835 TWHUPKODZBAYBM-OAHLLOKOSA-N 342.330 2.917 30 40 EFEB C=C(Br)Cn1c([C@H]2CC(=O)N(C)C2)nc2ccccc21 6665237 PGPKZTWJJLSUDN-NSHDSACASA-N 334.217 2.891 30 40 EFEB O=[N+]([O-])c1ccc(/C(C[C@@H](O)C(Cl)(Cl)Cl)=N\O)cc1 5731072 OBKJLNDMUVMBKH-ZJTXEKFPSA-N 327.551 2.894 30 40 EFEB C#Cc1cccc(N(CC(=O)NC)Cc2nc(-c3ccco3)oc2C)c1 68971268 ALZNFFOKTUIGRK-UHFFFAOYSA-N 349.390 2.977 30 40 EFEB CS(=O)(=O)Nc1cccc(C(=O)/C=C/c2ccc(C(=O)O)cc2)c1 69370805 GYWSICPTFAUERX-JXMROGBWSA-N 345.376 2.652 30 40 EFEB N#Cc1cccc(/C=C/C(=O)N2CCC(c3nnc4n3CCC4)CC2)c1 95954305 NYWSKSNBVCROAZ-VOTSOKGWSA-N 347.422 2.515 30 40 EFEB CCOc1ccc(C=NN2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)cc1Cl 409402368 DZHJRBIUBINFTL-GVAFMPQTSA-N 344.798 2.880 30 40 EFEB Cn1cc(C#N)cc1C(=O)N1CCCCC[C@H]1C[C@@H](O)c1ccco1 96472297 WAPHTTTVWPAPPZ-DOTOQJQBSA-N 341.411 2.998 30 40 EFEB CN(C(=O)c1ccccc1OCC#N)[C@H]1CCO[C@@H]1c1cccnc1 583621175 NXDLBCADZXRELK-FUHWJXTLSA-N 337.379 2.586 30 40 EFEB CNC(=O)C1(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)F 97941857 BBGKKHQZJFMAPX-UHFFFAOYSA-N 339.104 2.631 30 40 EFEB Cc1n[nH]c(C)c1CC(=O)N1CCC(Nc2ccccc2C#N)CC1 585130936 GOWFNYCJZXXVGM-UHFFFAOYSA-N 337.427 2.544 30 40 EFEB CCOc1cccc(N2CCN(c3nc4c(cc3C#N)CCC4)CC2)n1 609289034 OOXAIUIJCPBIGK-UHFFFAOYSA-N 349.438 2.562 30 40 EFEB CC(C)(C)OC(=O)N1CC[C@H](Sc2nc(N)c(C#N)cc2C#N)C1 1615589332 XJJNAKAMTGFELU-LBPRGKRZSA-N 345.428 2.509 30 40 EFEB CNC(=O)C[C@@H]1S/C(=N\c2ccccc2)N(c2ccccc2)C1=O 12377726 DDPHUBVROHUFDF-ZJYNUGOYSA-N 339.420 2.959 30 40 EFEB COc1cc2c(c(OC)c1OC)CCN([C@@H]1CC[C@@H](C#N)C1)CC2 590162726 NAKLOLHJFOJVJN-UKRRQHHQSA-N 330.428 2.805 30 40 EFEB CN(c1ncc(Cl)cn1)C1CCN(c2cccc(C#N)n2)CC1 1889083309 NKRXKKBGFWTOIK-UHFFFAOYSA-N 328.807 2.502 30 40 EFEB Cc1cc(C)nc(SCC(=O)Nc2ccc(OCC#N)cc2)n1 32497578 PMXSUHBCGVTEPN-UHFFFAOYSA-N 328.397 2.727 30 40 EFEB COc1cc2c(cc1OC)CCN(C)C(C(=O)c1cccc(N)c1)=C2 62001487 UQRBYRQOMIEDHM-UHFFFAOYSA-N 338.407 2.998 30 40 EFEB biogenic CC(=O)c1cccc(OCCCC(=O)N(CCC#N)CCC#N)c1 58827755 JOWRYPUOMMDKPS-UHFFFAOYSA-N 327.384 2.704 30 40 EFEB N#Cc1c(N)nc2c(c1N)[C@H](c1ccccc1)c1ccc(N)cc1O2 36559228 JQWFUUWYBKUURD-OAHLLOKOSA-N 329.363 2.986 30 40 EFEB CCn1c([C@H]2CCCN(C(=O)c3ccc(C#N)cc3)C2)n[nH]c1=S 65587701 UUNPRLIBAXATOP-AWEZNQCLSA-N 341.440 2.852 30 40 EFEB C/N=C(\NCc1cc(C(C)C)no1)NC[C@@H]1CCCN(C(C)C)C1 80893740 OACFMQYHSHIORP-HNNXBMFYSA-N 335.496 2.583 30 40 EFEB CC(C)CC(=O)Nc1cccc(C/N=C(/N)N2CCSCC2)c1 72272517 BCSJXSZCQVEHNJ-UHFFFAOYSA-N 334.489 2.535 30 40 EFEB N#C[C@H](NC(=O)CCOC1CCOCC1)c1c(F)cccc1Cl 95964541 IZXGXQZIHOTFBW-AWEZNQCLSA-N 340.782 2.746 30 40 EFEB CCO[C@H]1C[C@H](O)C12CCN(c1c(C#N)cnc3ccccc13)CC2 89986552 BIVJJPLPWTYUBN-ROUUACIJSA-N 337.423 2.863 30 40 EFEB C=CCOC[C@@H]1CC[C@H]2[C@H]1OCCN2C(=O)c1ccc(N(C)C)cc1 248022714 FYAASBBEWCZAIR-WDSOQIARSA-N 344.455 2.575 30 40 EFEB COCC[C@H](C)/C(O)=N/S(=O)(=O)c1ccc(C#N)c(Cl)c1 80291030 OXINCTRMGSNBSU-VIFPVBQESA-N 330.793 2.529 30 40 EFEB COc1ccccc1[C@H](C#N)NC(=O)[C@H](C)N1CCc2ccccc2C1 96412381 JEUAWJXYHBJMDS-KXBFYZLASA-N 349.434 2.823 30 40 EFEB Cc1cccc(OCCN2C(=O)N[C@@](C)(c3ccc(C#N)cc3)C2=O)c1 32859552 GSURUFJBGSAOMT-FQEVSTJZSA-N 349.390 2.713 30 40 EFEB C=CCn1cc(C(=O)N[C@H](C(N)=O)c2ccccc2)c2ccccc21 57430282 IDYWBYBDTFUCFU-SFHVURJKSA-N 333.391 2.784 30 40 EFEB O=C[C@H]1O[C@H](c2ccccc2)O[C@H]2CO[C@@H](c3ccccc3)O[C@H]12 55174939 FGRMUZCQGRXUEH-ZRSRNVLSSA-N 326.348 2.782 30 40 EFEB COc1ccc(NC(=O)c2ccc(NC(=O)CC#N)cc2)cc1OC 10027248 KCGILQVTWTZSEK-UHFFFAOYSA-N 339.351 2.808 30 40 EFEB CC(=O)COc1ccc2c(c1)O/C(=C\c1ccc3c(c1)OCO3)C2=O 5824920 DUOJKHPJQQSIOJ-WSVATBPTSA-N 338.315 2.999 30 40 EFEB biogenic Cc1nn(C)c(C)c1[C@H]1COCCN1Cc1ccc(C#N)cc1F 95983625 PQDXBEVWKUYZEA-QGZVFWFLSA-N 328.391 2.621 30 40 EFEB Cc1cc(CN/C(=N/[C@@H](C)[C@@H]2CCCO2)NCc2cccs2)on1 75611966 KDMUMHWGNXIWQZ-BBRMVZONSA-N 348.472 2.847 30 40 EFEB N#Cc1cccc(Cn2cc([C@@H]3OCCN3c3ccccc3)nn2)c1 216755899 MWYAIXHREPQKLM-IBGZPJMESA-N 331.379 2.733 30 40 EFEB CCN1CCN(Cc2ccccc2CNCc2cccc(C#N)c2)CC1 40120183 IWLIHPFZVCASQT-UHFFFAOYSA-N 348.494 2.986 30 40 EFEB COc1ccc(NC(=O)[C@@H]2S/C(=N/c3ccccc3)NC2=O)cc1 226761296 DDIQMAWUZJHBQU-AWEZNQCLSA-N 341.392 2.553 30 40 EFEB Cc1cc(C)cc([C@@H](O)C/N=C(/O)NCc2nccn2CC(C)C)c1 330031946 GMPGTIZVSGSSTR-KRWDZBQOSA-N 344.459 2.893 30 40 EFEB Cc1ccc(CN2C(=O)N[C@@]3(CCOc4ccccc43)C2=O)cc1C#N 600508779 FXXLFOURMAATMA-HXUWFJFHSA-N 347.374 2.597 30 40 EFEB CCNc1nnc(S[C@H]2CCN(c3ccc(C#N)cc3)C2=O)s1 78359319 IPPASDOXHOQCTH-LBPRGKRZSA-N 345.453 2.739 30 40 EFEB N#Cc1ccc(S(=O)(=O)NC2CCC(C(F)(F)F)CC2)cc1 22760190 YAIZSLBKXXGKBX-UHFFFAOYSA-N 332.347 2.958 30 40 EFEB CCCNC(=O)c1ccc(Cl)cc1NC(=O)CSCC#N 55591624 LBVIKNYZAAWQBT-UHFFFAOYSA-N 325.821 2.675 30 40 EFEB N#CCOC(=O)c1ccc2c(c1)C(=O)N(c1ccc(Cl)cc1)C2=O 3343796 VWLVAZKUOODVBK-UHFFFAOYSA-N 340.722 2.821 30 40 EFEB C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@@]43C)[C@@H]1CC[C@]21OCC1=O 118936510 RCHAJOCTTNTLHW-CZFMHFDVSA-N 342.435 2.603 30 40 EFEB CCOc1ccccc1N1CCN(C(=O)c2ccc(C#N)cc2)CC1 8290997 GYBVYWSTKIXJBW-UHFFFAOYSA-N 335.407 2.919 30 40 EFEB CCN(C(=O)c1cccc(C#N)c1)[C@@H]1CCN(c2ccccc2)C1=O 69737146 DRBVAMQRLDHWBS-GOSISDBHSA-N 333.391 2.826 30 40 EFEB CC(=O)N1CCCCC[C@@H]1C1CCN(c2ncccc2C#N)CC1 69818487 KFUSCISVKWIVGH-GOSISDBHSA-N 326.444 2.961 30 40 EFEB C=CCN1CCC(NC(=O)N(CC=C)Cc2cccc(C#N)c2)CC1 72270232 AUZUVJRZXWMUGB-UHFFFAOYSA-N 338.455 2.906 30 40 EFEB CC[C@H](C)Oc1cc(C)ccc1CN/C(=N/C)NCc1nccn1C 95975810 GNVAEQWFLDGVRX-HNNXBMFYSA-N 343.475 2.771 30 40 EFEB CCc1ccc([C@@H]2C(C(=O)OC)=C(N)OC3=C2C(=O)CCC3)cc1 409135189 VOGVYUXKKCWJOB-HNNXBMFYSA-N 327.380 2.713 30 40 EFEB O=C(CNc1ccc(F)cc1OCC(F)(F)F)NCC(F)(F)F 72952285 SKWYIJTZFLBRKO-UHFFFAOYSA-N 348.218 2.857 30 40 EFEB CC(C)[C@@](C)(C#N)NS(=O)(=O)c1ccc(OCC(F)F)cc1 96501915 AUXDXTZWIGHEEO-CQSZACIVSA-N 332.372 2.547 30 40 EFEB C=CCO[C@H](C)C(=O)N[C@H]1CCN(c2ccccc2OC(F)F)C1 96408156 BBOQRUIUULNWDX-OLZOCXBDSA-N 340.370 2.574 30 40 EFEB CC(C)c1cc(C(=O)N(C)CCOc2cccc(C#N)c2)nn1C 97212741 IDZONICWHDVGEY-UHFFFAOYSA-N 326.400 2.566 30 40 EFEB CC(C)(C)OC(=O)N1CC[C@@H](Sc2nc(N)c(C#N)cc2C#N)C1 1615589325 XJJNAKAMTGFELU-GFCCVEGCSA-N 345.428 2.509 30 40 EFEB CC(=O)c1ccc(C#N)cc1N(C)C[C@@H](O)COCc1ccccc1 95469199 FLLYJAZYDGLRHE-GOSISDBHSA-N 338.407 2.775 30 40 EFEB Cn1cc(I)c(C(=O)ON=C2CCCCC2)n1 5748994 GAKKNAXPBKTWNE-UHFFFAOYSA-N 347.156 2.502 30 40 EFEB C=CCC(O)(CC=C)[C@H]1CCCN1Cc1ccnc(N2CCCC2)n1 12240919 WBJQAQQKUDHOLV-GOSISDBHSA-N 342.487 2.925 30 40 EFEB C=CCNC(=O)CN1CCC(c2nc3cc(C)c(C)cc3[nH]2)CC1 12475078 KNDBTAYNKFITSD-UHFFFAOYSA-N 326.444 2.661 30 40 EFEB O=[N+]([O-])c1ccccc1/C=C/C=N/NS(=O)(=O)c1ccccc1 3526587 KDFIONCOMQPRLF-YUDPATCQSA-N 331.353 2.572 30 40 EFEB Cc1cc(N2CCC(CNC(=O)c3ccc(C#N)cc3)CC2)ccn1 244909635 AOCXITSSTWJMCC-UHFFFAOYSA-N 334.423 2.908 30 40 EFEB C=CCCC(=O)N1CCC2(CCCN(Cc3cccnc3)C2=O)CC1 108528155 WNRVZFRMTPYFKF-UHFFFAOYSA-N 341.455 2.779 30 40 EFEB Cc1cc(C(=O)N2CCCN(c3ncccc3C#N)CC2)c(C)s1 55742330 XMACHRKBLJPHLI-UHFFFAOYSA-N 340.452 2.984 30 40 EFEB N#CCCN(CCC#N)C(=O)Cc1ccc(OC(F)(F)F)cc1 58355504 XCUYDVFUCJTRTH-UHFFFAOYSA-N 325.290 2.784 30 40 EFEB CCc1noc([C@H](C)N2CCN(c3ccc(C#N)cc3F)CC2)n1 58326800 DMUGDWZHNOYPCI-LBPRGKRZSA-N 329.379 2.526 30 40 EFEB Oc1ccc(/C=N/N=c2/[nH]c(-c3ccc(O)c(O)c3)cs2)cc1 28465498 LRWNYCOKSLLOHE-CAOOACKPSA-N 327.365 2.795 30 40 EFEB CC(C)(C)C(=O)N1CCC(C(=O)Nc2ccc(OCC#N)cc2)CC1 19600210 FCACERLUIDSCMA-UHFFFAOYSA-N 343.427 2.812 30 40 EFEB CCN1C[C@@H](C(=O)Nc2ccccc2SC[C@H](C)C#N)CC1=O 65453506 GIAFWYWWYMYWLB-OLZOCXBDSA-N 331.441 2.745 30 40 EFEB CCc1nc(C/C(O)=N/S(=O)(=O)c2ccc(OC)cc2)cs1 66003621 CQNHIEPKTKMNDR-UHFFFAOYSA-N 340.426 2.602 30 40 EFEB C=CCOc1ccc(C(F)(F)F)cc1C(=O)N1CCC(O)CC1 96416891 KITHVQJXQXGOAK-UHFFFAOYSA-N 329.318 2.867 30 40 EFEB O=C1CCCC2=C1[C@H](c1cccc([N+](=O)[O-])c1)c1c(O)n[nH]c1N2 18195474 CKFURAYIPJFGTC-LBPRGKRZSA-N 326.312 2.588 30 40 EFEB CN(C)C(=O)[C@H]1CC[C@@H](CNc2cc(C#N)ccc2C(F)(F)F)O1 97163666 ZAHCDGHUOYTQJE-SMDDNHRTSA-N 341.333 2.625 30 40 EFEB Cc1nc(CC(=O)N(CCC#N)c2ccc3c(c2)OCCO3)cs1 79000399 GTNFXQJODVXINA-UHFFFAOYSA-N 343.408 2.712 30 40 EFEB COC(=O)C1C2=C(CC(C)(C)CC2=O)NC2=C1C(=O)CC(C)(C)C2 35183182 LHYQSYDRSXLULC-UHFFFAOYSA-N 331.412 2.665 30 40 EFEB C=CCOc1ccccc1C(=O)N1CCCN(c2ccncc2)CC1 585130335 NFAIGKOLVLTCGN-UHFFFAOYSA-N 337.423 2.999 30 40 EFEB Cc1c(Cl)cccc1N1CCCN(C(=O)CSCC#N)CC1 252485358 GSCSKXPOSUYPOE-UHFFFAOYSA-N 337.876 2.944 30 40 EFEB CCC/N=C1\NC(=O)[C@H](CC(=O)Nc2ccccc2Cl)S1 5870208 QFIGCQVWLGAOKI-NSHDSACASA-N 325.821 2.666 30 40 EFEB C[C@H](OC(=O)c1ccc(Cl)nc1)C(=O)NC1(C#N)CCCCC1 6635807 BWJLVPNFPUKUNN-NSHDSACASA-N 335.791 2.623 30 40 EFEB C=CCN1c2cccnc2-n2cccc2[C@]12CCN(C(=O)[C@@H]1C[C@H]1C)C2 2056226250 NVEHLXAOOHBLSV-WHSLLNHNSA-N 348.450 2.962 30 40 EFEB N#CC1(C(=O)N2CCc3ncnc(-c4ccncc4)c3CC2)CCCC1 1565553778 ITXWZNOYIXQVNX-UHFFFAOYSA-N 347.422 2.550 30 40 EFEB COCCN1C(=O)C(=O)/C(=C(\C)O)[C@H]1c1ccc(Cl)cc1Cl 102797655 OZZPHRIXOVQYND-YQCJOKCJSA-N 344.194 2.924 30 40 EFEB COC(=O)C1=C(c2ccccc2)NC(=S)N[C@@H]1c1ccc(C#N)cc1 105093662 BFZJJYPUUCHZBD-QGZVFWFLSA-N 349.415 2.661 30 40 EFEB CN(CCC#N)C(=O)COC(=O)c1ccc2[nH]c3c(c2c1)CCCC3 3285254 MVTXNEPWSRFNLV-UHFFFAOYSA-N 339.395 2.576 30 40 EFEB O/C(CSCc1ccccn1)=N\c1nc(-c2ccccn2)n[nH]1 58190690 QDAJJYNEKQBFIF-UHFFFAOYSA-N 326.385 2.783 30 40 EFEB C=CCN1C(=O)[C@H](C(=O)NC(C)(C)C)[C@H]2C[C@@]1(C)Oc1ccccc12 100749498 DHNCWQIFLXBPEU-DKICVRJWSA-N 342.439 2.828 30 40 EFEB biogenic COc1ccc(C(C)=O)cc1COC(=O)COc1ccc(C#N)cc1 3350484 YUSZTKJBKQOQNY-UHFFFAOYSA-N 339.347 2.892 30 40 EFEB COc1ccccc1CN/N=C/c1ccc(N2CCOCC2)c(F)c1 20763624 CWYGGNQILDFXDB-FYJGNVAPSA-N 343.402 2.795 30 40 EFEB N#Cc1c[nH]c(C(=O)Nc2ccc(CN3CCSCC3)cc2)c1 95406900 SWWOOCOEOFYDRO-UHFFFAOYSA-N 326.425 2.687 30 40 EFEB Cc1ccc(S(=O)(=O)OC[C@@]2(C)COc3ccccc3O2)cc1 39049981 OUKLGVNVWONEEY-QGZVFWFLSA-N 334.393 2.930 30 40 EFEB O=C(O)c1ccccc1N/N=C1/CCS(=O)(=O)c2ccc(F)cc21 39670372 FDGRUIIFVHMIAR-RGEXLXHISA-N 348.355 2.518 30 40 EFEB Cc1nc(C)c(CNS(=O)(=O)c2ccc(C#N)cc2Cl)s1 96001980 KIDDUMLMVICHAJ-UHFFFAOYSA-N 341.845 2.764 30 40 EFEB CCN(C(=O)CCSCC(=O)OC)[C@H](C)c1ccc(C#N)cc1 65609913 GYKHWTZGLZETNI-CYBMUJFWSA-N 334.441 2.764 30 40 EFEB N#CCCN(Cc1cccnc1)C(=O)c1ccn(-c2ccccc2)n1 65627049 YICNFULCAGGAJF-UHFFFAOYSA-N 331.379 2.823 30 40 EFEB C=CCNC(=O)Cn1cnc2sc(-c3ccccc3)c(C)c2c1=O 17130393 NEJUZEGGYHYUIQ-UHFFFAOYSA-N 339.420 2.736 30 40 EFEB C=CCNC(=O)c1ccc(N2C(=O)[C@H]3CC[C@@](C)(C2=O)C3(C)C)cc1 408722847 XRPBMMVIPFUGSX-QRWLVFNGSA-N 340.423 2.918 30 40 EFEB Cc1cscc1/C(O)=N/S(=O)(=O)c1cn(CC(C)C)cn1 97083178 GOHPLGKKXVFPSG-UHFFFAOYSA-N 327.431 2.603 30 40 EFEB Cc1cccc(/N=C\c2ccc(OCC(=O)N3CCOCC3)cc2)c1 409240564 UNVVYDBMIVGDBQ-STZFKDTASA-N 338.407 2.983 30 40 EFEB N#Cc1cnc(SCC(=O)C23CC4CC(CC(C4)C2)C3)nc1N 23105894 PXWYFFFXJMPIIZ-UHFFFAOYSA-N 328.441 2.808 30 40 EFEB Cc1cc([C@](C)(O)CNC(=O)Nc2ccc(F)c(C#N)c2)c(C)o1 96434622 WZRBFEPGBWEBJT-QGZVFWFLSA-N 331.347 2.936 30 40 EFEB C=C(Cl)C[S@@](=O)Cc1ccc(S(=O)(=O)C(F)F)cc1 96448150 YHJFERIDTPGDKV-SFHVURJKSA-N 328.789 2.684 30 40 EFEB N#Cc1cc(N2CCC(CN3CCOCC3)CC2)nc2ccccc12 96453504 VMPKEELRLFKIAH-UHFFFAOYSA-N 336.439 2.655 30 40 EFEB N#Cc1cccc(OCC(=O)NC[C@@H](O)c2ccc3ccccc3c2)c1 95394493 WGXRWCHVBVGMLT-HXUWFJFHSA-N 346.386 2.940 30 40 EFEB COc1ccc(/C=N/OCC(=O)OCc2ccc(Cl)nc2)cc1 25576015 MRJBHKYPOJJPAD-DJKKODMXSA-N 334.759 2.838 30 40 EFEB C=C[C@@H]1OCC[C@H]1CNC(=O)NC1(c2cccc(OC)c2)CCC1 665182852 RWNPTKIZMHIVCQ-YOEHRIQHSA-N 330.428 2.965 30 40 EFEB N#Cc1ccc(C(=O)N2CCC(n3c(=O)[nH]c4ccccc43)CC2)cc1 12583480 DETATFOJDOTIMX-UHFFFAOYSA-N 346.390 2.679 30 40 EFEB C#CCN1C(=O)S/C(=C\c2cc(CC=C)c(O)c(OC)c2)C1=O 15012737 GHYPHMPSTIWWBY-UVTDQMKNSA-N 329.377 2.799 30 40 EFEB C=C(C)[C@H]1OCC[C@H]1C(=O)Nc1ncc(OC)cc1Br 558284980 HBEGXPZRGJRIJX-ZYHUDNBSSA-N 341.205 2.772 30 40 EFEB COC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)c1cccc(C#N)c1 6649620 RVGMKWYLJHNFPP-GOSISDBHSA-N 347.374 2.554 30 40 EFEB COc1ccc(CN(C)S(=O)(=O)c2cccc(C#N)c2)cc1F 8509590 FXXXMAKBXXVQNA-UHFFFAOYSA-N 334.372 2.527 30 40 EFEB C/N=C1\S[C@H](CC(=O)Nc2cccc(C(F)(F)F)c2)C(=O)N1C 101127030 RQNSMEBTBJWQAR-IQRLKCEISA-N 345.346 2.594 30 40 EFEB CCOc1ccc(S(=O)(=O)/N=C(\O)c2ccnc(Cl)c2)cc1 54422898 JJPQIJIDORIHKO-UHFFFAOYSA-N 340.788 2.827 30 40 EFEB CCCCCC[C@H](C)NC(=O)CSc1nc(N)c(C#N)cc1C#N 23584690 ZTJLCNNFXDHJEW-LBPRGKRZSA-N 345.472 2.974 30 40 EFEB COC(=O)c1cccc2c3c([nH]c12)CCN(c1ncccc1C#N)C3 25577886 MSNCKTPTOIJHMV-UHFFFAOYSA-N 332.363 2.784 30 40 EFEB C=CCN(CCc1ccccc1)C(=O)[C@H]1CCCN(C(=O)CC)C1 58378504 XIOGKHFTRXMZBE-SFHVURJKSA-N 328.456 2.892 30 40 EFEB Cc1cc(CO/N=C/C(=O)Nc2ccccc2Br)on1 48399011 FRRPWTDNOWNGMC-VIZOYTHASA-N 338.161 2.887 30 40 EFEB Cc1nc(C(C)C)sc1C(=O)NCCNc1ncccc1C#N 65404217 OBFINTYFFCEGDL-UHFFFAOYSA-N 329.429 2.684 30 40 EFEB N#Cc1cc(S(N)(=O)=O)ccc1N1CCC[C@@]2(CC=CCC2)C1 95403240 LRZNQHDMLARWJV-KRWDZBQOSA-N 331.441 2.532 30 40 EFEB N#Cc1ccnc(/C=C/c2cn(-c3ccc(F)cc3Cl)nn2)n1 95439365 JKWWACBYQCIPFE-DUXPYHPUSA-N 326.722 2.892 30 40 EFEB C=CCNC(=O)CNC(=O)Nc1sc(-c2ccccc2)nc1C 97107767 FKSWVZOUWPAFHU-UHFFFAOYSA-N 330.413 2.542 30 40 EFEB N#C[C@H](C(=O)[C@H]1CC(=O)N(C2CCCCCC2)C1)c1ccccn1 78611945 KQXHUNCTFLAXCC-HOCLYGCPSA-N 325.412 2.829 30 40 EFEB C=CCN(CC=C)C(=O)[C@@H]1CCC(=O)N(C)[C@H]1c1ccc(OC)cc1 72242087 QQNODDIMAMUDNZ-MJGOQNOKSA-N 342.439 2.805 30 40 EFEB COCc1cc(N=C(O)NC(C)(C)COCc2ccccc2)ncn1 330032011 HFDPXUWKZPPBNT-UHFFFAOYSA-N 344.415 2.754 30 40 EFEB N#CCCCCN1CCNC(=O)[C@@H]1c1ccccc1C(F)(F)F 96006563 BBEXWNYOXDYFGJ-AWEZNQCLSA-N 325.334 2.872 30 40 EFEB Cc1nc(C)c(S(=O)(=O)/N=C(\O)[C@H]2C[C@H]2c2ccco2)s1 96446951 MTPZKXPUJRSSDH-ZJUUUORDSA-N 326.399 2.802 30 40 EFEB Cc1cc(C(=O)NCC#CCOc2cccc(C(F)(F)F)c2)no1 90730500 JFPYLYMCPJHWHH-UHFFFAOYSA-N 338.285 2.814 30 40 EFEB C=C(C)CN1CCC(NC(=O)NCCc2ccccc2OC)CC1 96404526 YDOCVHFYXCBFEY-UHFFFAOYSA-N 331.460 2.577 30 40 EFEB COC[C@]1(C#N)[C@@H](c2ccccc2)[C@H]1S(=O)(=O)c1ccccc1 252514550 CVMKHFUHVDGILD-RCCFBDPRSA-N 327.405 2.783 30 40 EFEB Cc1sc(NC(=O)[C@@H]2CC(=O)N(Cc3ccco3)C2)c(C#N)c1C 32986024 OXYQZOQDORZAFF-GFCCVEGCSA-N 343.408 2.817 30 40 EFEB CCc1nnc(/N=C(\O)CN2CCN(C3CCCCC3)CC2)s1 19367749 AVSRYHBUUISSMY-UHFFFAOYSA-N 337.493 2.639 30 40 EFEB C=C[C@H]1CN2CC[C@H]1C[C@@H]2CNC(=S)NCc1ccc(C)cc1 2332241390 SNTIGNVFXTXRCI-OKZBNKHCSA-N 329.513 2.856 30 40 EFEB CN1CCc2c(C#N)c(N3CCCCC3)nc(N3CCCC3)c2C1 196278 PCLZFUIISIOAJX-UHFFFAOYSA-N 325.460 2.532 30 40 EFEB N#Cc1ccc(/C=C/C(=O)N2CCC(c3nnc4n3CCC4)CC2)cc1 58228459 PUPIEMKLLOBFGN-BQYQJAHWSA-N 347.422 2.515 30 40 EFEB CN1CCCN(C(=O)c2ccc(C#N)cc2)c2nc3ccccc3nc21 8061605 RKGAUSQGUATTQN-UHFFFAOYSA-N 343.390 2.988 30 40 EFEB Cc1ccc(C(=O)C2=C(O)C(=O)N(CCO)[C@H]2c2cccs2)cc1 16751718 FIUHEVKFLUKFQZ-HNNXBMFYSA-N 343.404 2.627 30 40 EFEB C[C@@H](NC(=O)CCC(=O)Nc1cccc(C#N)c1)C(=O)c1ccccc1 69457169 BKRZIUAZVCPNGS-CQSZACIVSA-N 349.390 2.665 30 40 EFEB N#CCCN(Cc1ccccn1)S(=O)(=O)c1ccc(Cl)s1 69653723 JBLGBIVUYFTUHG-UHFFFAOYSA-N 341.845 2.901 30 40 EFEB CN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc2oc(=O)n(C)c2c1 69814262 SCIGYWUASWFUGZ-UHFFFAOYSA-N 336.351 2.667 30 40 EFEB C=CCN(CC=C)C(=O)c1cccc(N2C(=O)c3cccnc3C2=O)c1 408722186 QWIHHNRIFIGJMH-UHFFFAOYSA-N 347.374 2.696 30 40 EFEB N#Cc1ccc(CN[C@H](CN2CCOCC2)c2ccccc2)c(F)c1 120158611 MNLYIVCBTSGFIS-HXUWFJFHSA-N 339.414 2.860 30 40 EFEB N#Cc1cc(C(F)(F)F)ccc1N1CCC[C@@H]1[C@@H]1COCC[C@H]1O 583622903 CVKTUHYCFHTBFK-NUEKZKHPSA-N 340.345 2.943 30 40 EFEB CN(C)C(=O)COc1cccc(NCc2cc(C#N)ccc2F)c1 96453367 YDURZGYNDUYGNM-UHFFFAOYSA-N 327.359 2.776 30 40 EFEB COc1cc(NC(=O)CSC[C@H]2CCCCO2)c(F)cc1C#N 585125798 FYYQELLRPUGUFT-GFCCVEGCSA-N 338.404 2.947 30 40 EFEB COCCOc1ccc(NC(=O)N[C@@H](C)c2ccc(C#N)cc2)cn1 61578733 RPSIHTKXAIEEMH-ZDUSSCGKSA-N 340.383 2.861 30 40 EFEB COc1ccc(/C(N)=N/OCc2noc(-c3ccc(C)cc3)n2)cc1 54230855 XFBRQHONFKSVLN-UHFFFAOYSA-N 338.367 2.891 30 40 EFEB O=C(NCc1ccccc1)c1cc[n+](CC(=O)c2cccs2)cc1 2359436 DTZWPEDNMLCNHI-UHFFFAOYSA-O 337.424 2.849 30 40 EFEB CN1CCCC[C@@H]1C1CCN(C(=O)Cc2ccc(C#N)cc2)CC1 2055756346 FMBAPNFLNFJDAR-LJQANCHMSA-N 325.456 2.824 30 40 EFEB C#CCOc1ccc(C(=O)N2CCC(Nc3cccnc3)CC2)cc1 78874942 DQRIZJIYAFASMT-UHFFFAOYSA-N 335.407 2.810 30 40 EFEB CN(C)CCN(Cc1cccc(O)c1)C(=O)Nc1ccc(C#N)cc1 58060684 XYBUIWWKPSKIPJ-UHFFFAOYSA-N 338.411 2.860 30 40 EFEB COc1ccccc1/C=C/C(=O)OCC(=O)Nc1cccc(C#N)c1 3307639 DTARVUPMGSNKLF-MDZDMXLPSA-N 336.347 2.762 30 40 EFEB CC(=O)Nc1ccc(CC(=O)[C@H](C#N)c2nc3c(C)ccnc3[nH]2)cc1 72296121 RHJTZMXVGRCMBT-HNNXBMFYSA-N 347.378 2.644 30 40 EFEB N#Cc1c(N2CCCC2)n[nH]c1NC(=O)COc1ccc(Cl)cc1 6652388 QYRXHSSAYMUTRD-UHFFFAOYSA-N 345.790 2.552 30 40 EFEB CCCn1nc(C(=O)Nc2sccc2C#N)c2ccccc2c1=O 14626632 SNFFIYPHJNDHOR-UHFFFAOYSA-N 338.392 2.992 30 40 EFEB CN(C)C(=O)[C@@H]1CC[C@H](CNc2cc(C#N)ccc2C(F)(F)F)O1 97163663 ZAHCDGHUOYTQJE-RISCZKNCSA-N 341.333 2.625 30 40 EFEB C/N=C(/NCc1nc(C)c(C)o1)N[C@H]1C[C@@H](C)N(c2ccccc2)C1 81210721 DWBXVLYBGVKUCF-CJNGLKHVSA-N 341.459 2.624 30 40 EFEB COC(=O)[C@H]1CCC[C@H]1C(=O)N(Cc1ccc(C#N)cc1)C(C)C 97233591 BZOYUMWBOVCFLJ-SJORKVTESA-N 328.412 2.885 30 40 EFEB C=C(C)COc1cc(CN[C@@H]2CCN(C(C)=O)C[C@@H]2C)ccc1OC 84714824 FSNPAUAPJVYGEU-MAUKXSAKSA-N 346.471 2.997 30 40 EFEB CC/N=C(/NCC[S@](=O)C(C)(C)C)NCc1sccc1C 88870214 JZCXTBONOOFJGX-OAQYLSRUSA-N 329.535 2.659 30 40 EFEB N#CC1(C(=O)N2CCN(c3nncc4ccccc34)CC2)CCCCC1 75144821 GRVFCRHFXNICPU-UHFFFAOYSA-N 349.438 2.752 30 40 EFEB C#Cc1cccc(N(Cc2cccs2)C(=O)[C@@H]2COCCO2)c1 69658410 NHGCZNSXHSSIMX-KRWDZBQOSA-N 327.405 2.678 30 40 EFEB COc1ccc(CN(Cc2ccc(C#N)c(F)c2)S(C)(=O)=O)cc1 195579743 OOCRBQIDNFYBDB-UHFFFAOYSA-N 348.399 2.668 30 40 EFEB Cn1cc([C@@H]2CN(c3cc(C#N)ccc3C(F)(F)F)CCO2)cn1 97096840 UZLQVPVEYFMYOT-HNNXBMFYSA-N 336.317 2.888 30 40 EFEB CN(c1cccc(C#N)c1)[C@@H]1CCN(C(=O)CCc2ccncc2)C1 585130645 XIGMHRNVGDAYFO-LJQANCHMSA-N 334.423 2.623 30 40 EFEB C=C(C)CN1CCN([C@@H](C(=O)O)c2c(C)[nH]c3ccccc23)CC1 20724958 BXMZLWBNRMJNRJ-GOSISDBHSA-N 327.428 2.796 30 40 EFEB CC(C)NC(=O)[C@H](C#N)C(=O)c1csc(-c2ccccc2F)n1 103654967 RUIRDBKNTQQSAF-LLVKDONJSA-N 331.372 2.796 30 40 EFEB Cc1cc(C)c(C#N)c(N2CCCN(C(=O)c3ccsc3)CC2)n1 77307927 ABQCUHQPSMWHHJ-UHFFFAOYSA-N 340.452 2.984 30 40 EFEB CC(C)[C@H](NC(=O)C12CC3CC(CC(C3)C1)C2)/C(O)=N/c1ncn[nH]1 23142304 NKWUYLQQBBIJCC-RZYZSWTKSA-N 345.447 2.750 30 40 EFEB N#CC1(C#N)[C@@]23CCCC[C@H]2C[C@@]2(CCCCC2=O)[C@]1(C#N)C(=N)O3 4871862 WZHIALLOUWXHNU-KRDRHDLTSA-N 336.395 3.000 30 40 EFEB C=CCN1C(=O)C(C)(C)COc2ccc(NC(=O)COCC)cc21 8959595 QRYFPRMNDLWUJR-UHFFFAOYSA-N 332.400 2.599 30 40 EFEB COC(=O)c1ccc(C)c(Nc2nc(N)nc(NC(C)C)c2C#N)c1 34659076 UYMWHULOWYIDQQ-UHFFFAOYSA-N 340.387 2.589 30 40 EFEB CN(CC#N)C(=O)COc1ccccc1OCc1ccc(F)cc1 95399348 RFZPDHPHJOPYID-UHFFFAOYSA-N 328.343 2.765 30 40 EFEB Cc1nc(C(=O)N2CCC[C@@H](c3noc(C(C)C)n3)C2)ccc1C#N 72232149 YGIVRGQTSVBUTN-CQSZACIVSA-N 339.399 2.788 30 40 EFEB N#CCCN(Cc1ccccn1)C(=O)c1ccc([N+](=O)[O-])cc1F 69445218 QDBLAQHOSAMOJE-UHFFFAOYSA-N 328.303 2.685 30 40 EFEB C=C(Cl)CN(C(=O)CS(=O)(=O)CC)[C@@H]1CCc2ccccc21 69420401 GFFZFCSJFHGRBE-OAHLLOKOSA-N 341.860 2.690 30 40 EFEB C#Cc1cccc(N(C(=O)Cn2cc([N+](=O)[O-])nc2C)C(C)C)c1 69557746 SELNNJVWONNSKF-UHFFFAOYSA-N 326.356 2.523 30 40 EFEB CN(C)CCN(Cc1cccs1)C(=O)NCC#Cc1ccccc1 84415393 HQCWSFJDWMFTFG-UHFFFAOYSA-N 341.480 2.873 30 40 EFEB Cn1ccc(C(=O)N(CCC#N)c2cccc(C(F)(F)F)c2)cc1=O 69847573 JMCBHMTXCXQBCA-UHFFFAOYSA-N 349.312 2.965 30 40 EFEB CCc1nc(CCN/C(=N/CCc2cccs2)N2CCCC2)no1 95962986 YDMLFCNUYNAZEN-UHFFFAOYSA-N 347.488 2.520 30 40 EFEB C=CCN1C(=O)CCC12CCC(NC(=O)NCc1ccccc1)CC2 96228581 YELVDRABJCVLLB-UHFFFAOYSA-N 341.455 2.976 30 40 EFEB Cn1ccnc1[C@@H](NC(=O)N1CCc2c(CC#N)cccc2C1)C1CC1 585123259 NAIKMPBGLCBTPD-SFHVURJKSA-N 349.438 2.705 30 40 EFEB C#CCOc1cccc(/C=N/Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1 6300411 QMPXVRYQBBEQFJ-GZTJUZNOSA-N 340.295 2.961 30 40 EFEB Cc1cc(C(=O)N2CCN(Cc3ccc(C#N)cc3F)CC2)c(C)o1 52241303 NKFHTCNXCRITCF-UHFFFAOYSA-N 341.386 2.865 30 40 EFEB CCOc1cc(/C=N/O)cc(I)c1OCC 371073 NVZJOFOXXHQJRF-NTUHNPAUSA-N 335.141 2.897 30 40 EFEB CCOc1ccc(CCC(=O)[C@H](C#N)C(=O)Nc2ccccn2)cc1 104055514 NUJFPMBQCBYWID-INIZCTEOSA-N 337.379 2.760 30 40 EFEB COc1cc(CC(=O)Nc2cccc(C#N)c2)cc(OC)c1OC 3603833 LLEIYCDPKIVPLT-UHFFFAOYSA-N 326.352 2.765 30 40 EFEB COc1cc(C#N)ccc1O[C@@H](C)C(=O)Nc1ccnn1C(C)C 25058498 ISFNOPJLXUPINJ-LBPRGKRZSA-N 328.372 2.750 30 40 EFEB N#C/C(=N\Nc1ccc(Cl)c(Cl)c1)C(=O)NC[C@H]1CCCO1 27023896 NJUICVUAXYKWSX-MDSXTQFQSA-N 341.198 2.580 30 40 EFEB COc1cc(/C=C/C(=O)OCC(=O)C(C)(C)C)ccc1OCC#N 3352858 CNKNQQUYNFJOEB-SOFGYWHQSA-N 331.368 2.769 30 40 EFEB CN(CCC#N)C(=O)CNC1(c2ccc(Cl)c(Cl)c2)CC1 58355400 LTCCQXAULHFIDP-UHFFFAOYSA-N 326.227 2.944 30 40 EFEB CS(=O)(=O)N(Cc1cc(-c2ccco2)on1)c1cccc(C#N)c1 12806404 XBEHYWSXDUMLOA-UHFFFAOYSA-N 343.364 2.772 30 40 EFEB C[C@H]1CN(C)[C@H](C)C[C@]1(O)C#CC(C)(C)OC(=O)c1ccccc1 15320550 VUEVYIBTFKAOPT-RZQQEMMASA-N 329.440 2.717 30 40 EFEB C/C(=N\NS(=O)(=O)c1ccc(C(C)(C)C)cc1)c1cnn(C)c1C 17072441 AQQBJOVLAJGMEI-XDHOZWIPSA-N 348.472 2.729 30 40 EFEB N#Cc1ccc(SCC(=O)Nc2cccc(-n3cnnc3)c2)cc1 69571561 FKVVVQDSYBYCGB-UHFFFAOYSA-N 335.392 2.870 30 40 EFEB Cc1cccc(S(=O)(=O)/N=C(\O)[C@@H](C)OC[C@H]2CCCCO2)c1 96999995 FELYNAMYSOYHKR-ZIAGYGMSSA-N 341.429 2.614 30 40 EFEB N#Cc1ccccc1Oc1ccccc1C(=O)NCCn1ccnc1 97046726 VNXZWHDTVBCQGE-UHFFFAOYSA-N 332.363 2.977 30 40 EFEB CC/N=C(\NCc1sc(C)nc1C)NC[C@H](c1ccco1)N(C)C 95965073 ZSPNEHPUGQXREC-CQSZACIVSA-N 349.504 2.711 30 40 EFEB C=CCNC(=O)NC(=O)[C@H](C)N1CC[C@H](CSc2ccccc2)C1 75963936 RVWTYGGZAKDEFA-GJZGRUSLSA-N 347.484 2.501 30 40 EFEB C=CCN1CC[C@@H](Sc2nccn2Cc2ccc(OC)cc2)C1=O 225572453 GOJVNFBOUJVTMW-MRXNPFEDSA-N 343.452 2.819 30 40 EFEB C#Cc1cccc(N(C)C(=O)c2cc(N3C[C@H](C)O[C@@H](C)C3)ccn2)c1 194585171 USZKRCIIHRMQOX-HOTGVXAUSA-N 349.434 2.953 30 40 EFEB Cc1cc(C)nc(-n2ncc(C#N)c2NC(=O)Nc2ccccc2)n1 17068538 HBSFDZGDDSPRFL-UHFFFAOYSA-N 333.355 2.795 30 40 EFEB N#CC1(NC(=O)CNc2cc3c(cc2Cl)OCCO3)CCCCC1 40039043 CCDUIJXSVOELOB-UHFFFAOYSA-N 349.818 2.866 30 40 EFEB C=CCNC(=O)c1nnn(-c2ccc(Br)c(C)c2)c1C 51317864 ATTROAJIUDXCCC-UHFFFAOYSA-N 335.205 2.562 30 40 EFEB C=CCOc1ccc(C(=O)N(CC(=O)OCC)CC(C)C)cc1OC 95393775 ZHMXSZBBVYGVAX-UHFFFAOYSA-N 349.427 2.921 30 40 EFEB COC(=O)c1ccc2[nH]c3c(c2c1)CN(c1ccc(C#N)cn1)CC3 26725360 AJMKNCJJGKZEMS-UHFFFAOYSA-N 332.363 2.784 30 40 EFEB CC(C)C(=O)N1CCC(C(=O)[C@@H](C#N)c2nc3ccccc3o2)CC1 44919252 FUYADDOLUASKQK-CQSZACIVSA-N 339.395 2.899 30 40 EFEB CSc1ccc(N2C[C@@H](C(=O)N(C)C3(C#N)CCC3)CC2=O)cc1 48302722 IMWFNHIUMMHAIC-ZDUSSCGKSA-N 343.452 2.666 30 40 EFEB CS(=O)(=O)c1ccc(Cl)c(NC(=O)c2cccc(C#N)c2)c1 7795604 QHWAAIIXBUBTKO-UHFFFAOYSA-N 334.784 2.867 30 40 EFEB COc1ccc(C)cc1C1(C/N=C(/N)N2CCCCC2)CCOCC1 71847255 FRKIHTLGYPECPM-UHFFFAOYSA-N 345.487 2.852 30 40 EFEB C[C@@H]1Oc2ccccc2N(CCC(=O)Nc2sccc2C#N)C1=O 24466896 SKHKZKSEAHFSSN-NSHDSACASA-N 341.392 2.762 30 40 EFEB Cc1ccc([C@H](CNc2ncccc2C#N)N2CCOCC2)s1 72276390 KUVRRWXWZCYDEK-HNNXBMFYSA-N 328.441 2.809 30 40 EFEB C=CCN(Cc1cccs1)C(=O)CN1CCC[C@H]1c1noc(C)n1 75573178 GCRQSNLGQLEVFH-HNNXBMFYSA-N 346.456 2.791 30 40 EFEB COc1cccc(/C=N/c2cccc(C(=O)O)c2)c1O[C@@H](C)C(=O)O 409240995 MSLHWQMCXQYLID-VSMYLPJWSA-N 343.335 2.996 30 40 EFEB COC(=O)c1cccc(/N=C/c2cn(CC(N)=O)c3ccccc23)c1C 409384984 GVYNLIHTUNMPFD-LSHDLFTRSA-N 349.390 2.972 30 40 EFEB C=CCOc1ccc(C(=O)N2CCCc3c(cnn3C)C2)cc1OC 521394798 OSQWDIGQRNKOQW-UHFFFAOYSA-N 341.411 2.582 30 40 EFEB C=CCN1C(=O)N/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1=O 409125710 AQDFXQNRYRKZQE-UVTDQMKNSA-N 339.307 2.934 30 40 EFEB N#Cc1c(F)cccc1NCCNC(=O)CCc1ccccc1F 47332467 FLJNZXGYQODFBU-UHFFFAOYSA-N 329.350 2.997 30 40 EFEB COc1ccc(C2=NO[C@H](C/N=C(/O)CN3CCC[C@@H]3C)C2)cc1F 330032865 SMOPNJJEUASXKH-JSGCOSHPSA-N 349.406 2.768 30 40 EFEB C=CCN1CCC[C@]12CCCN(S(=O)(=O)Cc1ccc(C)cc1)C2 96214821 YQDLQKHGLPBDGG-LJQANCHMSA-N 348.512 2.941 30 40 EFEB Cc1nn(CCOc2ccccc2C#N)c(C)c1[C@@H]1CCCC(=O)N1 596301760 OZOKLZWVMLTBBL-INIZCTEOSA-N 338.411 2.792 30 40 EFEB CC(C)(C)c1nc(C#N)c(N2CCc3c(sc(N)c3C#N)C2)o1 585152362 UFFPAACCVJUEPE-UHFFFAOYSA-N 327.413 2.922 30 40 EFEB N#C[C@H](C(=O)C[C@]12CCCC[C@@H]1C2(F)F)C(=O)Nc1ccccn1 585094023 LZXRDVHNFAVUGI-PVXIVEMSSA-N 333.338 2.945 30 40 EFEB N#Cc1ccnc(OC[C@@H]2CCCN(c3ncnc4cnccc34)C2)c1 1776007837 HDTOCOFTZCLTSB-OAHLLOKOSA-N 346.394 2.587 30 40 EFEB Cc1cn2nc(OCC3CCN(c4ccc(C#N)nc4)CC3)ccc2n1 1888875810 CWLJGYCXIVMWOG-UHFFFAOYSA-N 348.410 2.600 30 40 EFEB CCN(CC)c1ccc(/C=N/n2c(C)cc(C)c(C#N)c2=O)c(O)c1 38930 IPLPJCAZSREUMJ-CIAFOILYSA-N 338.411 2.771 30 40 EFEB C=CCOc1ccc(C(=O)N2CCN(Cc3ccncc3)CC2)cc1 32624005 GESRTIVLDSJBDJ-UHFFFAOYSA-N 337.423 2.604 30 40 EFEB C=CCn1c(S[C@@H]2C=CCCC2)nnc1[C@H]1CCS(=O)(=O)C1 84670723 HGRDJBZBOOIALJ-QWHCGFSZSA-N 339.486 2.567 30 40 EFEB N#Cc1ncn(Cc2cc(F)cc3c2O[C@@H](c2ccccc2)OC3)n1 14141161 DWFNDVRDQFJYFJ-SFHVURJKSA-N 336.326 2.945 30 40 EFEB N#Cc1cnn(-c2ccc(C(=O)N[C@@H]3CCc4ccccc43)cc2)c1N 66240001 CSHXYVOUAHYHKC-GOSISDBHSA-N 343.390 2.743 30 40 EFEB COc1ccc(/C=N/n2c(S)nnc2-c2ccccn2)cc1OC 5911147 DUOIYHAVTPTWMV-VCHYOVAHSA-N 341.396 2.528 30 40 EFEB C=CCn1cnnc1S[C@@H](C)C(=O)Nc1cc(C)ccc1OC 7634141 YHMFEQFBFREHFF-LBPRGKRZSA-N 332.429 2.900 30 40 EFEB Cc1ccc(NC2CCN(CC(=O)N[C@@](C)(C#N)C(C)C)CC2)cc1 69440247 CMKUMIGSVQCKBD-FQEVSTJZSA-N 342.487 2.926 30 40 EFEB C#CCOc1cccc(NC(=O)N(C)[C@@H]2[C@@H]3CCO[C@@H]3C2(C)C)c1 96420206 SIJQIFPUGZZPPK-BBWFWOEESA-N 328.412 2.976 30 40 EFEB C[C@H](C#N)Oc1ccc(CN[C@@H]2CCCN(c3cccnn3)C2)cc1 69840904 MTCOLNGUZUNJAS-NVXWUHKLSA-N 337.427 2.526 30 40 EFEB N/C(=N/Cc1ccnc(N2CCCCC2)c1)NCCc1cccs1 72272423 AIYYZAMIWMAYOJ-UHFFFAOYSA-N 343.500 2.780 30 40 EFEB CN(/C(N)=N/C[C@H](c1cccc(C(F)(F)F)c1)N(C)C)C1CC1 183891269 XXSSFUNMJPMGSW-CQSZACIVSA-N 328.382 2.717 30 40 EFEB C[C@H](CC#N)N(C)S(=O)(=O)c1ccc(Br)c(F)c1 96427919 FHFHRSRSVKHCAS-MRVPVSSYSA-N 335.198 2.511 30 40 EFEB COc1ccccc1NN=C(C(N)=O)c1nc2ccccc2s1 254762644 INYMIRYGLLYOTN-UHFFFAOYSA-N 326.381 2.606 30 40 EFEB CCOC(=O)[C@]1(CC#N)CN(C(=O)OC(C)(C)C)CCC1(F)F 169805780 VAENFZJIMIXIPC-AWEZNQCLSA-N 332.347 2.726 30 40 EFEB CCNc1oc(-c2ccc(S(=O)(=O)N(CC)CC)cc2)nc1C#N 12421033 GGSXRCJBMOIIJR-UHFFFAOYSA-N 348.428 2.676 30 40 EFEB C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](C(=O)CO)CC[C@@]12O 4416467 XKCAPZYNIKDWOX-VLWQACTDSA-N 346.467 2.811 30 40 EFEB COCc1cc(C)nc(SCC(=O)Nc2cccc(C)n2)c1C#N 6968621 HKLCQATVCUZCSD-UHFFFAOYSA-N 342.424 2.842 30 40 EFEB C#CCOc1ccccc1CN(C)C(=O)c1cccc(-n2cncn2)c1 95397585 OZNQKMDOWFGYIN-UHFFFAOYSA-N 346.390 2.552 30 40 EFEB N#Cc1ccccc1OCc1ccc(C(=O)NC2CCC(O)CC2)o1 48165938 UDXBHEVYESXPTE-UHFFFAOYSA-N 340.379 2.764 30 40 EFEB Cc1ccc(C(=O)[C@@H](C#N)C(=O)CCn2c(C)csc2=O)s1 102763720 KJJHQVHTWMIYAQ-NSHDSACASA-N 334.422 2.570 30 40 EFEB COc1cccc([C@@H]2[C@H](C#N)C(=O)Nc3nc4ccccc4n32)c1OC 20637887 HQGXUJFOTLFFHT-BLLLJJGKSA-N 348.362 2.735 30 40 EFEB N#Cc1ccc(CN2CCCN(c3ccc([N+](=O)[O-])cn3)CC2)cc1 12783007 FSLJOGBOOPMDSJ-UHFFFAOYSA-N 337.383 2.574 30 40 EFEB C=CCN(CC=C)C(=O)[C@H]1CCC(=O)N(C)[C@@H]1c1ccccc1F 57355163 LFFUVAJUXWMXLN-MAUKXSAKSA-N 330.403 2.936 30 40 EFEB C=CCNC(=O)[C@H](C)SCc1ccc(C(=O)N2CCCC2)cc1 65591297 RZBVULISPIPNDX-AWEZNQCLSA-N 332.469 2.847 30 40 EFEB Cc1nn(C)c(C)c1CN[C@H]1CCCN(c2ccc(C#N)cc2F)C1 68991277 YVBVHOGBXFXCFP-INIZCTEOSA-N 341.434 2.806 30 40 EFEB C=CCNC(=O)c1ccccc1NC(=O)COc1ccc(F)cc1 22614255 KKTUYHPYSDBSAM-UHFFFAOYSA-N 328.343 2.759 30 40 EFEB CCS(=O)(=O)N(C)c1cccc(C(=O)Nc2cccc(C#N)c2)c1 225965619 SQMBBFQKPIPXJK-UHFFFAOYSA-N 343.408 2.596 30 40 EFEB CC(C)[C@H](/C(O)=N/c1nc(C2CC2)n[nH]1)N1Cc2ccccc2C1=O 95480211 KBLNAFZWFKGTJQ-CQSZACIVSA-N 339.399 2.951 30 40 EFEB N#Cc1ccc(OC[C@]23COC[C@H]2CN(Cc2ccsc2)C3)nc1 96109093 WCUYVQYWAMBWAZ-AEFFLSMTSA-N 341.436 2.542 30 40 EFEB C=C(C)[C@H]1OCC[C@H]1CNC(=O)N1CCc2c(cccc2OC)C1 281799696 MMRVTDCCDLKTRS-KBXCAEBGSA-N 330.428 2.744 30 40 EFEB C#CCCC1(CCC(=O)N[C@@H](C(=O)O)c2cc(F)ccc2F)N=N1 1616032321 TYPKBFMBMGCPLI-CQSZACIVSA-N 335.310 2.562 30 40 EFEB C#Cc1cccc(NC(=O)N2CCOC[C@@H]2c2c(C)nn(C)c2C)c1 95983601 SZBASBMPBKMWGH-QGZVFWFLSA-N 338.411 2.624 30 40 EFEB N#Cc1cnc(N2CCC[C@@H](c3nncn3C3CC3)C2)c(Cl)c1 96490442 BSYGFVFFBCDPSV-GFCCVEGCSA-N 328.807 2.917 30 40 EFEB CSCc1nnc(SCC(=O)[C@H](C#N)c2nc(C)cs2)o1 22133228 DDZKNOWLDQUUHV-QMMMGPOBSA-N 340.455 2.666 30 40 EFEB O/C(COc1ccc(F)cc1F)=N\c1nc(-c2ccccn2)n[nH]1 53526785 GYPLXRSATHSZLB-UHFFFAOYSA-N 331.282 2.812 30 40 EFEB N#Cc1ccccc1CN1C(=O)N[C@]2(CCCc3ccccc32)C1=O 3364549 UXLCAGLJPHJPKL-FQEVSTJZSA-N 331.375 2.842 30 40 EFEB Cc1nn(CC(=O)c2cccc(C(F)(F)F)c2)c(=O)c(C#N)c1C 27944531 LFSYMGPNIPKFNW-UHFFFAOYSA-N 335.285 2.634 30 40 EFEB CN(C)C(=O)COC(=O)c1ccccc1Sc1ccccc1C#N 3351991 BXAOYMVXVOWAOK-UHFFFAOYSA-N 340.404 2.954 30 40 EFEB C=CCN1C(=O)/C(=C\c2cccc(OCC(=O)O)c2)SC1=S 13388274 HBEQAAFPIZBXET-XYOKQWHBSA-N 335.406 2.537 30 40 EFEB Cc1ccc2c(c1)C(=O)N(CCCC(=O)Oc1ccccc1C#N)C2=O 22567718 KLTCMSWQDYKYLH-UHFFFAOYSA-N 348.358 2.849 30 40 EFEB COC(=O)C[C@@H]1S/C(=N\c2ccccn2)N(c2ccccc2)C1=O 5243227 JPMPAEDEEGLBSB-HDRCJFCASA-N 341.392 2.781 30 40 EFEB CCc1nnc(S)n1/N=C/c1cc(Br)ccc1OC 6684824 CWWJKZAMNVFZAU-VGOFMYFVSA-N 341.234 2.783 30 40 EFEB N#CC1(NC(=O)[C@@H]2CCCN(C(=O)c3ccc(Cl)cc3)C2)CCC1 68924368 SBVGVBOFURJVGJ-CQSZACIVSA-N 345.830 2.755 30 40 EFEB N#CCC[C@H](C#N)Cn1cnc2c(NCc3ccccc3)ncnc21 71905338 LOENBXFVTTUMKP-OAHLLOKOSA-N 331.383 2.882 30 40 EFEB CCCCc1ccnc(NS(=O)(=O)Cc2ccc(C#N)cc2)n1 95939347 NIANGWNZMMKEIB-UHFFFAOYSA-N 330.413 2.633 30 40 EFEB Cc1c(B2OC(C)(C)C(C)(C)O2)cnn1COCC[Si](C)(C)C 306145237 UEFVJNWHTVUKGX-UHFFFAOYSA-N 338.333 2.803 30 40 EFEB Cc1csc2ncnc(N3CC[C@H](Oc4ccc(C#N)cn4)C3)c12 568603590 BOBSQWGSBOBGDG-ZDUSSCGKSA-N 337.408 2.924 30 40 EFEB COc1ccccc1OCCCN1C(=O)/C(=N\O)c2cccc(C)c21 46084776 MMINYFPRBQYXFF-JZJYNLBNSA-N 340.379 2.998 30 40 EFEB CCN(c1ccc(F)cc1)S(=O)(=O)c1ccc(C#N)cc1[N+](=O)[O-] 96421220 JCRIWAVJKVITDR-UHFFFAOYSA-N 349.343 2.821 30 40 EFEB CCO[C@@H]1C[C@@H](Nc2nc3ncccc3cc2C#N)C12CCOCC2 596194014 IDBLMUZAFSKEGI-HZPDHXFCSA-N 338.411 2.888 30 40 EFEB CC#CCCNC(=O)N1CCC[C@@H]2CN(C(=O)OC(C)(C)C)CC[C@H]21 1615572363 XGEQDXSUSULPOV-HZPDHXFCSA-N 349.475 2.831 30 40 EFEB Cc1ccc(-n2c(C)cc(C(=O)CN3CCOC[C@H]3C#N)c2C)cc1 76093245 PVPSABFMOLJLHI-GOSISDBHSA-N 337.423 2.810 30 40 EFEB COc1ccc(/C=N/c2c(C)n(C)n(-c3ccccc3)c2=O)cc1O 187169 CNVPOLJIKONRCF-UDWIEESQSA-N 337.379 2.949 30 40 EFEB COCCN(CCOC)C(=O)c1ccccc1-c1ccccc1C#N 29489320 BYEUPNZAGGYLJK-UHFFFAOYSA-N 338.407 2.960 30 40 EFEB N#Cc1ccccc1OCC(=O)OCC(=O)c1c[nH]c2ccccc12 6790580 GIKDTDJMINGYGS-UHFFFAOYSA-N 334.331 2.844 30 40 EFEB O=C1CCCC2=C1C1(O[C@H]3C=CC=CN23)C(=O)c2ccccc2C1=O 972835 MWSNOSJXWPAOIL-INIZCTEOSA-N 333.343 2.553 30 40 EFEB N#CCCN(C[C@@H]1CCOC1)C(=O)c1ccc([N+](=O)[O-])c(Cl)c1 97162530 RAAPMWJDRREWRH-NSHDSACASA-N 337.763 2.641 30 40 EFEB Cc1cccc(NC(=O)[C@H](C#N)C(=O)CCc2nc(C3CC3)no2)c1 102708228 MZMQYZDJIDSDNU-CQSZACIVSA-N 338.367 2.536 30 40 EFEB N#C[C@H](C(=O)/C=C/c1ccco1)C(=O)N(CC(F)(F)F)C1CC1 102758111 GLCUYEZOOZXRGA-BTDICHCPSA-N 326.274 2.555 30 40 EFEB N#C[C@H](NC(=O)CCNc1ccccc1[N+](=O)[O-])c1ccccc1F 65589838 TWHUPKODZBAYBM-HNNXBMFYSA-N 342.330 2.917 30 40 EFEB N#Cc1ccc(S(=O)(=O)Nc2ccnn2Cc2ccsc2)cc1 66250106 TUWHUPRYCDDMAY-UHFFFAOYSA-N 344.421 2.665 30 40 EFEB O=C1C[C@@H](c2ccco2)CC2=C1[C@H](c1cccc(O)c1)n1ncnc1N2 9484270 SDWXIVZXZNLMEG-SGTLLEGYSA-N 348.362 2.992 30 40 EFEB CCOCCCNC(=O)C1CCN([C@H](C)c2ccc(C#N)cc2)CC1 96411338 PMUONXVTGPFDER-MRXNPFEDSA-N 343.471 2.874 30 40 EFEB CCC(CC)c1cc(C(=O)N2CCN([C@H](C#N)C(C)C)CC2)on1 96423654 DKMHVPROWYMSLK-MRXNPFEDSA-N 332.448 2.884 30 40 EFEB COC(=O)CCCS(=O)(=O)/N=C(O)/C=C/c1ccc(Cl)cc1 71907976 ZTYQEJZAGKKANG-RMKNXTFCSA-N 345.804 2.593 30 40 EFEB C=CCO[C@@H](C)/C(O)=N/c1nc2ccc(Br)cn2n1 84098608 AWEDRBJIAULUFI-QMMMGPOBSA-N 325.166 2.671 30 40 EFEB N#Cc1csc(CN2CCN(Cc3nccn3C(F)F)CC2)c1 92614606 ZTWMSJXVSPCGEO-UHFFFAOYSA-N 337.399 2.529 30 40 EFEB C[C@H]1CN(C)CCN1C(=O)c1occc1COc1cccc(C#N)c1 89938278 BBVZNVSIYQUSOL-AWEZNQCLSA-N 339.395 2.506 30 40 EFEB O=c1sc2c(n1C[C@H]1CO1)SC[C@@H]1COc3ccccc3[C@H]21 35053041 CVHMRDCNMUHILY-OUJBWJOFSA-N 333.434 2.555 30 40 EFEB COCC1(C/N=C(/O)Nc2ccc(C)c(S(C)(=O)=O)c2)CCC1 330031785 DGEJZHIOMOINCR-UHFFFAOYSA-N 340.445 2.541 30 40 EFEB CC[C@@H](CC#N)NC(=O)[C@H](NC(=O)OC(C)(C)C)c1ccccc1O 585089293 BDRNPACYFXPLKZ-SWLSCSKDSA-N 347.415 2.766 30 40 EFEB CC1CCN(C(=O)[C@@H](C)N2CCC(c3ccc(C#N)cn3)CC2)CC1 600840217 AIZMVIWVXIWHBW-MRXNPFEDSA-N 340.471 2.780 30 40 EFEB C[C@H]1CCc2c(sc(NC(=O)CSc3ncn[nH]3)c2C#N)C1 15923230 PDJOHLRFTROLDZ-QMMMGPOBSA-N 333.442 2.593 30 40 EFEB CC(=O)/C(=C/n1ccc(=O)[nH]c1=S)C(=O)Nc1ccc(Cl)cc1 5601753 JZJLNVHBMKQUJM-WQLSENKSSA-N 349.799 2.628 30 40 EFEB COCc1cccc(C(=O)[C@@H](C#N)C(=O)NCc2ccc(C)cc2)c1 101162192 KIPZJJQSAIRTHY-GOSISDBHSA-N 336.391 2.780 30 40 EFEB C#CCN(Cc1ccc(F)cc1)C(=O)c1ccc(S(C)(=O)=O)cc1 58289822 OSEYIXBMLQWUAC-UHFFFAOYSA-N 345.395 2.505 30 40 EFEB C[C@]12C[C@H](O)[C@]3(F)[C@H](CCC4=CC(=O)C=C[C@@]43C)[C@@H]1CCC(=O)O2 104062282 XUYWZQUKJIPOPA-ORFNEHOJSA-N 334.387 2.653 30 40 EFEB COc1cc(C#N)cc(Cl)c1OCC(=O)NCc1ccccc1 6126707 NZVPRGBCDDHBON-UHFFFAOYSA-N 330.771 2.915 30 40 EFEB CN(C)/C=N/c1ccn(-c2ncc(C(F)(F)F)cc2Cl)c(=O)n1 5197822 RSNBZNAKLDLMAT-FBCYGCLPSA-N 345.712 2.521 30 40 EFEB C[C@H](c1nc(C2CC2)no1)N1CCN(Cc2cccc(C#N)c2)CC1 69386640 ADRJSHKKMBPIIB-CQSZACIVSA-N 337.427 2.697 30 40 EFEB C=CCO[C@H](C)C(=O)Nc1ccc(Cc2nnc3ccccn23)cc1 71894397 ZAAOIKALGAMVCY-CQSZACIVSA-N 336.395 2.850 30 40 EFEB C=C(C)COc1cc(CN[C@H]2CCN(C(C)=O)C[C@H]2C)ccc1OC 84714816 FSNPAUAPJVYGEU-QAPCUYQASA-N 346.471 2.997 30 40 EFEB Cc1sc(NC(=O)c2ccccc2)c(/C=N/NC(N)=S)c1C 9942970 HTIFDANJRAZDHS-CAOOACKPSA-N 332.454 2.784 30 40 EFEB N#Cc1cccc(C(=O)NC[C@](O)(c2ccccc2)C(F)(F)F)c1 70636350 VALVUMASUPRLFQ-INIZCTEOSA-N 334.297 2.738 30 40 EFEB OCCn1cc([C@H]2C/C(=N\O)c3ccccc32)c(-c2ccncc2)n1 75629584 MRAWBDDTYCKKAS-KDCJFMNISA-N 334.379 2.651 30 40 EFEB Cc1cc(Cn2cc(C#N)c(=O)c3cc(Br)ccc32)no1 69623073 UQPDEDSQFIBEGS-UHFFFAOYSA-N 344.168 2.980 30 40 EFEB CCn1nnnc1-c1cccc(NC(=O)NCc2cccc(C#N)c2)c1 96435081 AFROARZLAZTYNR-UHFFFAOYSA-N 347.382 2.553 30 40 EFEB C=C[C@](C)(CCOC)C(=O)NCCc1ncc(-c2ccccc2)[nH]1 1644450524 LNVOPKPRRASZQS-LJQANCHMSA-N 327.428 2.964 30 40 EFEB CCN(CC)CCN(CCOC)c1nc(C(F)(F)F)ccc1C#N 75107030 ZQHPSTRYKJPYAU-UHFFFAOYSA-N 344.381 2.767 30 40 EFEB C[C@H](Oc1ccc(F)cc1Cl)C(=O)N[C@]1(C#N)CCSC1 79045101 VFLIKWNXRMOYHG-XPTSAGLGSA-N 328.796 2.762 30 40 EFEB CCN(CC)S(=O)(=O)c1ccc(N/N=C/[C@H]2CC=CCC2)nc1 8165014 OUFDNAXDXOLNFM-QCUKBLKESA-N 336.461 2.866 30 40 EFEB C=CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCCC 4066679 OGYLETPHJYKUOK-MRXNPFEDSA-N 346.452 2.997 30 40 EFEB Cc1cc(C)c(C#N)c(N2CCN(c3nc(C)cc(C)c3C#N)CC2)n1 25571345 AKPYERSUOWPHNM-UHFFFAOYSA-N 346.438 2.780 30 40 EFEB CC#CCCNC(=O)Nc1cccn(Cc2ccc(F)cc2)c1=O 95467140 CRMYAZRWMPFHCC-UHFFFAOYSA-N 327.359 2.571 30 40 EFEB N#Cc1ccc(C(=O)N2CC[C@@H](OCCCc3ccccc3)C2)nc1 95408984 SULNNFXXUWOHBG-GOSISDBHSA-N 335.407 2.817 30 40 EFEB COc1ccc(C)cc1N1CC(=O)C(c2nc3ccccc3n2C)=C1N 5182948 DTGKKPIERBCDFG-UHFFFAOYSA-N 348.406 2.607 30 40 EFEB CC/N=C(\NCC)SCc1cc([N+](=O)[O-])cc2c1OCOC2 6535357 RMGUTVFKGGMXQW-UHFFFAOYSA-N 325.390 2.680 30 40 EFEB Cc1cc(=O)oc2cc(OCC(=O)NC3(C#N)CCCCC3)ccc12 7129973 CRXOGEOAMFCFSH-UHFFFAOYSA-N 340.379 2.823 30 40 EFEB Cc1n[nH]c2ncc(NC(=O)C(C)(C)Oc3ccc(C#N)cc3)cc12 90417023 SGBQWVZNIUHHMC-UHFFFAOYSA-N 335.367 2.934 30 40 EFEB N#CCCN(Cc1cccnc1)C(=O)C1=NO[C@H](c2ccccc2)C1 69617744 CKIXPBRWNVAEJP-SFHVURJKSA-N 334.379 2.841 30 40 EFEB Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N[C@H](C)c1cccs1 17842408 IJDSANOBHGGFNN-GFCCVEGCSA-N 329.425 2.735 30 40 EFEB Cc1cc(N(CCC#N)C(=O)CSc2nncn2C)ccc1Cl 9688033 JJXUHAKCYYCXOM-UHFFFAOYSA-N 349.847 2.816 30 40 EFEB COC(=O)[C@@H](NCc1cccc(-n2cccn2)c1)c1cccc(C#N)c1 83031730 ABYBVGWSXNZTSN-IBGZPJMESA-N 346.390 2.748 30 40 EFEB CN(C)C(=O)Cc1ccc(NCCOc2ccc(CC#N)cc2)cc1 96414791 ZLTOVFPFXSSJSW-UHFFFAOYSA-N 337.423 2.874 30 40 EFEB N#Cc1cccc(N[C@H]2CO[C@]3(CCCN(Cc4ccncc4)C3)C2)n1 96048320 ZNLYYYAVMFWZJG-UYAOXDASSA-N 349.438 2.584 30 40 EFEB CCNC(=O)C[C@@H]1S/C(=N\c2ccc(Cl)cc2)N(CC)C1=O 17991707 SZPDIDVXMXQKPT-ZNZSVTJWSA-N 339.848 2.818 30 40 EFEB C=C(C)C[C@@H]1N(c2ccccc2C)C(=O)[C@H]2[C@@H](C(=O)O)[C@H]3C=C[C@]21O3 4200214 INFSPPRSFZBLBY-YNIGFRRXSA-N 339.391 2.701 30 40 EFEB N#CCc1ccc(NC(=O)CNc2ccccc2N2CCCC2=O)cc1 12517531 DKJZDOBNAHUIEL-UHFFFAOYSA-N 348.406 2.930 30 40 EFEB C=CCSC/C(O)=N/c1nc(-c2ccc(OC)cc2OC)n[nH]1 58174871 WULXKGJBWDXHNU-UHFFFAOYSA-N 334.401 2.996 30 40 EFEB C=CCCO[C@H](C)C(=O)N1CCCN(Cc2ccc(OC)cc2)CC1 58393777 UNJMGFVNEZBOAT-QGZVFWFLSA-N 346.471 2.711 30 40 EFEB N#Cc1ccc(OCCOC(=O)Cc2ccccc2[N+](=O)[O-])cc1 11468589 KXMORPPNKTWCQU-UHFFFAOYSA-N 326.308 2.631 30 40 EFEB COC(=O)c1cc(OCc2ccccc2C#N)cc(C(=O)OC)c1 3573592 DTJBJAFBLJKCAG-UHFFFAOYSA-N 325.320 2.710 30 40 EFEB C=CC[C@H]1N(c2ccccc2Cl)C(=O)[C@H]2[C@@H](C(=O)O)[C@H]3C=C[C@]21O3 4174141 WUUOXQDEXRFYJX-VPKNTQAGSA-N 345.782 2.656 30 40 EFEB CCOC(=O)c1cc[n+](CC(=O)C23CC4CC(CC(C4)C2)C3)cc1 4764548 ZQGASEYMYVVLIZ-UHFFFAOYSA-N 328.432 2.936 30 40 EFEB N#Cc1cn[nH]c1NC(=O)c1nc2ccccc2cc1Br 1557134919 FEJAYDYSJUUPOG-UHFFFAOYSA-N 342.156 2.844 30 40 EFEB N#Cc1cccc(Cl)c1NCCc1ccc(S(N)(=O)=O)cc1 78601740 YVVZTQOEGCUZCE-UHFFFAOYSA-N 335.816 2.514 30 40 EFEB Cc1cc(C)c(C#N)c(N2CCN(Cc3csc(C)n3)CC2)n1 73350013 CJZIQPGYRSMDRG-UHFFFAOYSA-N 327.457 2.657 30 40 EFEB CN(/C(N)=N/CC1(c2ccc3c(c2)OCCO3)CCCC1)C1CC1 195559278 YVYOXZHZAFKKFW-UHFFFAOYSA-N 329.444 2.679 30 40 EFEB O=C1[C@H]2[C@@H]3C=C[C@H]([C@@H]4C[C@H]34)[C@H]2C(=O)N1/N=C/c1ccccc1Cl 222251543 UZVXTCIYZHORKC-JHLZTKAKSA-N 326.783 2.727 30 40 EFEB COc1cccc([C@H](NC(=O)c2cc(C#N)c[nH]2)c2cccnc2)c1 95406912 FMMMZAGLBAPDQA-SFHVURJKSA-N 332.363 2.809 30 40 EFEB C=CCNC(=S)N/N=C/c1ccc(-c2ccccc2C(=O)O)o1 2053776 VMCZYFBQGKCMSM-VCHYOVAHSA-N 329.381 2.629 30 40 EFEB N#Cc1cccc(C(=O)NC[C@@H](c2ccoc2)N2CCSCC2)c1 245015277 LUCAEIUDFGQEGQ-KRWDZBQOSA-N 341.436 2.671 30 40 EFEB CC/N=C1/S[C@H](CC(=O)Nc2ccc(OCC)cc2)C(=O)N1CC 100633163 SKECBXQERBMIIX-IAFNSTAXSA-N 349.456 2.754 30 40 EFEB C=C1CC[C@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@@H]1O5 139885419 WJBLNOPPDWQMCH-DBOLQNLKSA-N 339.435 2.513 30 40 EFEB in-vitro N#Cc1c(NC(=O)Nc2ccc([N+](=O)[O-])cc2)sc2c1CCNC2 40542900 WRDVTGILOAKKNH-UHFFFAOYSA-N 343.368 2.818 30 40 EFEB COC(=O)C(=NNc1c(Cl)cc(Cl)cc1Cl)C(=O)OC 320487 LQBMDDKBENAOHE-UHFFFAOYSA-N 339.562 2.761 30 40 EFEB C[C@H](CC#N)N(C)S(=O)(=O)/C=C/c1cccc(Br)c1 103496284 UZSSGRRDABQXHM-MXMFLMJRSA-N 343.246 2.984 30 40 EFEB Cc1csc(-c2ccc(C(=O)[C@@H](C#N)C(=O)NC(C)C)cc2)n1 103735812 LURZGJQDCFDZSJ-CQSZACIVSA-N 327.409 2.966 30 40 EFEB COc1ccc(C(=O)[C@@]2(C)N(O)[C@H](C)C(c3ccccc3)=[N+]2[O-])cc1 7813392 PKIIXIJXLRUQSM-YJYMSZOUSA-N 340.379 2.687 30 40 EFEB N#CC1(NC(=O)c2cc(-c3cccnc3)nc3onc(C4CC4)c23)CC1 95399384 HYJOMKXQHASMSV-UHFFFAOYSA-N 345.362 2.948 30 40 EFEB COc1cccc(/C=C/C(=O)c2ccc3c(c2)NC(=O)CO3)c1OC 5335720 NIZHENBEDNAKDA-SOFGYWHQSA-N 339.347 2.931 30 40 EFEB N/C(Cc1ccc([N+](=O)[O-])cc1)=N\OC(=O)CCc1ccccc1 4888212 OFYDRJHFAADHIZ-UHFFFAOYSA-N 327.340 2.586 30 40 EFEB C#CCN1CCC(C(=O)N[C@@H](C)c2nc(C(C)(C)C)cs2)CC1 69897810 DMOIENYFUXGRIC-ZDUSSCGKSA-N 333.501 2.963 30 40 EFEB C=CCNc1nnc(SCc2nc3c(C)cccc3c(=O)[nH]2)s1 9723649 WIFKYVAFUGEFOO-UHFFFAOYSA-N 345.453 2.973 30 40 EFEB Cc1ccc(-c2nc(CO/N=C(\N)[C@@H](C)n3ccnc3)cs2)o1 72286208 MHWADGFZAPDNCX-LLVKDONJSA-N 331.401 2.958 30 40 EFEB C=CCN1C(=O)CC[C@]12CCCN(C(=O)c1cccnc1)[C@H]2CC 96052465 NGNUAPVAWKUTSH-LPHOPBHVSA-N 327.428 2.643 30 40 EFEB N#C[C@H](NC(=O)CC1(N2CCOCC2)CCCC1)C1CCCCC1 96451401 ZELRLVDMZGZHNV-KRWDZBQOSA-N 333.476 2.610 30 40 EFEB CSc1nc2n(n1)[C@@H](c1cccc(O)c1)C1=C(C[C@@H](C)CC1=O)N2 14165081 CLJFBMGSKJUARJ-PSLIRLAXSA-N 342.424 2.974 30 40 EFEB C/N=C1/S/C(=C\c2cn(C(C)=O)nc2-c2ccccc2)C(=O)N1C 12364773 YCLWBTANIRFGDN-DNSBCFGZSA-N 340.408 2.742 30 40 EFEB COCCn1/c(=N/C(=O)c2ccc(C#N)cc2)sc2ccccc21 100872462 AQDAWBKCIRYUJF-ZZEZOPTASA-N 337.404 2.962 30 40 EFEB C[C@H](NC(=O)c1cccc(Cl)c1Cl)/C(O)=N/c1ncn[nH]1 52555490 YASKERIUSSZMHU-LURJTMIESA-N 328.159 2.518 30 40 EFEB C=CCSc1nc2c(c(=O)[nH]1)[C@H](c1ccc(C)cc1)CC(=O)N2 4944178 RFVCJLBCTOBNPC-LBPRGKRZSA-N 327.409 2.831 30 40 EFEB N#Cc1ccnc(SC[C@@H](O)COc2cccc3[nH]ccc23)c1 84490449 PVCCTSZPNUUSDY-ZDUSSCGKSA-N 325.393 2.967 30 40 EFEB C=CCNC(=O)CN1CCN(C(c2ccccc2)c2ccccc2)CC1 22586029 QHOIEGQNGGJUFY-UHFFFAOYSA-N 349.478 2.696 30 40 EFEB CC(=O)c1cccc(S(=O)(=O)/N=C(\O)c2ccc3c(c2)CCO3)c1 48560921 XVDMXWPGBHIHTA-UHFFFAOYSA-N 345.376 2.518 30 40 EFEB N#Cc1ccc(N2CCC(Nc3ccc([N+](=O)[O-])c(C#N)c3)CC2)nc1 97144773 QATUZMYQBTVWFL-UHFFFAOYSA-N 348.366 2.814 30 40 EFEB N#CCc1cccc(C(=O)N[C@@H](CC(=O)O)c2ccc(F)cc2)c1 95960082 MIHCMBKDWCKCQZ-INIZCTEOSA-N 326.327 2.838 30 40 EFEB C=CCNS(=O)(=O)c1cc(C(=O)O)ccc1NC1CCCCC1 217436838 IXNXEUDHPWOZSS-UHFFFAOYSA-N 338.429 2.594 30 40 EFEB Cc1ccc(S(=O)(=O)[C@@H]2[C@@H](c3ccccc3)[C@@]2(C#N)C=O)cc1 242437331 BZJSWOFGLCEHBZ-KZNAEPCWSA-N 325.389 2.644 30 40 EFEB N#Cc1ccnc(O[C@@H]2CCCN(C(=O)Cc3ccccc3F)C2)c1 575606355 OCIYNBDKKSHEIR-MRXNPFEDSA-N 339.370 2.705 30 40 EFEB CN(C)C=Nc1ncc2c3ccccc3n(CCN(C)C)c2c1C#N 13115952 YITHKOBKHNYAFH-UHFFFAOYSA-N 334.427 2.844 30 40 EFEB CCOc1ccc(Br)cc1C(=O)/C=C(\O)C(=O)OC 100969413 OGMRPKLBUDYYGZ-XFFZJAGNSA-N 329.146 2.645 30 40 EFEB C=C[C@@]1(O)CCN(S(=O)(=O)c2ccccc2)c2cc(OC)ccc21 384076 HRDURTWVXBTWLH-GOSISDBHSA-N 345.420 2.668 30 40 EFEB COCCn1c(SCC(=O)Nc2cccc(C#N)c2)nc(C)c1C 32893897 PPMWVVFRXXCNCV-UHFFFAOYSA-N 344.440 2.749 30 40 EFEB N#Cc1cc2c(N)c(C(=O)Nc3cccnc3Cl)sc2nc1N 32931544 DZUYSJCHYOJZNU-UHFFFAOYSA-N 344.787 2.633 30 40 EFEB COc1ccc(CN(C)CC(=O)Nc2oc(C)c(C)c2C#N)cc1F 36646754 MAIQHHXPBSWSLR-UHFFFAOYSA-N 345.374 2.986 30 40 EFEB C=CCNC(=O)CCn1nc(C(F)(F)F)c(Br)c1C 28234303 UFPIIUOOWPSHQT-UHFFFAOYSA-N 340.143 2.665 30 40 EFEB C[C@@H](OC(=O)c1cc[nH]n1)C(=O)/C=C1/N(C)c2ccccc2C1(C)C 46349887 VAQCLXYDBJZSCM-PBSOMRJOSA-N 339.395 2.836 30 40 EFEB C[C@@](C#N)(NC(=O)COc1cc2ccccc2cc1C(=O)O)C1CC1 13050123 ZCTUEPHIUJPWKO-IBGZPJMESA-N 338.363 2.725 30 40 EFEB N#CC1(NC(=O)COC(=O)C2(c3ccc(Cl)cc3)CC2)CCCC1 5014525 DLTJBXPJKKQMFO-UHFFFAOYSA-N 346.814 2.867 30 40 EFEB N#Cc1c(N)n(-c2ccc3cn[nH]c3c2)c2nc3ccccc3nc12 6316010 CDMQAUXDGQTHOW-UHFFFAOYSA-N 325.335 2.904 30 40 EFEB CCOc1ccc(C(=O)/C=C/c2cnc(N3CCOCC3)nc2)cc1 65606764 QNQZXVFYYPFNMT-FPYGCLRLSA-N 339.395 2.608 30 40 EFEB C=C(C)COc1cccc(NC(=O)C(=O)NCc2csc(C)n2)c1 65613884 YHIQZEJDYAVPIC-UHFFFAOYSA-N 345.424 2.661 30 40 EFEB C=CCn1c(C)nnc1SCC(=O)Nc1ccc(OCC)cc1 6649713 UDEPWTIMCNBXHD-UHFFFAOYSA-N 332.429 2.902 30 40 EFEB C=CCN1C(=O)/C(=C/c2ccc(-c3ccccc3)o2)C(=O)NC1=S 4723750 DNLDEXGPOLRTGA-SDNWHVSQSA-N 338.388 2.759 30 40 EFEB CC(C)(CNC(=O)C(=O)Nc1ccc(C#N)cc1)c1ccc(F)cc1 71799739 WEPYONOTYNWSHP-UHFFFAOYSA-N 339.370 2.730 30 40 EFEB C[C@H](C#N)CSc1ccccc1NCC(=O)NC(=O)NC(C)(C)C 69706339 PPAPLXFOKRALRL-GFCCVEGCSA-N 348.472 2.975 30 40 EFEB N#Cc1ccc(C(F)(F)F)nc1N[C@@H]1CCO[C@]2(CCOC2)C1 95458046 VEWYVXWQOHGTLY-BXUZGUMPSA-N 327.306 2.722 30 40 EFEB O=[N+]([O-])c1cccc(CO/N=C/c2ccc(N3CCOCC3)o2)c1 408595025 VIUBTDKBEYDLLA-GZTJUZNOSA-N 331.328 2.575 30 40 EFEB N#Cc1cnc2c(Cl)cccc2c1N1CC[C@@H](N2CCCC2=O)C1 567162676 HCNFSPCSSXKARL-CYBMUJFWSA-N 340.814 2.961 30 40 EFEB N#Cc1c(N2CCN(c3ccccn3)CC2)nsc1-c1cccnc1 46088213 JKHRCBLVAJOKMM-UHFFFAOYSA-N 348.435 2.798 30 40 EFEB CC[C@H](CO)NC(=O)Cc1ccc(N[C@@H]2CCC[C@H](C#N)C2)cc1 193098500 ZDRWHMMOQSZYHM-LZLYRXPVSA-N 329.444 2.610 30 40 EFEB N#CCc1cccc(C(=O)OC[C@@H]2CC(=O)N(Cc3ccccc3)C2)c1 96442638 IPOZXWAXWRKATM-GOSISDBHSA-N 348.402 2.958 30 40 EFEB C[C@@H]1CCN(c2ccc(F)cc2F)CCN1c1ccnc(C#N)n1 1615571050 FDTGMVZJYHUPTI-GFCCVEGCSA-N 329.354 2.732 30 40 EFEB C=CCNc1nnc(SCC(=O)Nc2ccccc2OC)s1 5785620 QFPHYXFUWFJSTK-UHFFFAOYSA-N 336.442 2.875 30 40 EFEB CC(=O)O/N=C1C(=C/c2ccccc2OC(C)=O)/N2CCC/1CC2 13756536 IIZBVAFXCYXRCZ-QOOZPXINSA-N 328.368 2.598 30 40 EFEB Cc1cc(C)n2nc(CCCNc3ncccc3C#N)c(C#N)c2n1 51999157 XQABKHJMGALAKQ-UHFFFAOYSA-N 331.383 2.529 30 40 EFEB N#C[C@@H](C(=O)CCc1cc(F)ccc1F)C(=O)Nc1ccccn1 103717424 SIEASLCALYPVAX-ZDUSSCGKSA-N 329.306 2.640 30 40 EFEB C[N+]1(Cc2ccccc2F)CCN(/C=C/C(=O)C(F)(F)F)CC1 3189950 RKYPDOMRCQWWDB-VOTSOKGWSA-N 331.333 2.733 30 40 EFEB Cc1ccccc1C1(CNC(=O)C(=O)N(C)c2cccc(C#N)c2)CC1 71185391 AQQGQAJGOGHPOA-UHFFFAOYSA-N 347.418 2.678 30 40 EFEB C#CCOc1ccc(N(C)C(=O)c2c(O)nnc(CC)c2CC)cc1 95411730 JVMRNZHHWQGSAY-UHFFFAOYSA-N 339.395 2.596 30 40 EFEB CS(=O)(=O)Nc1ccccc1CNc1ncc(C#N)cc1Cl 65552647 NFXPRWYNWHIBRX-UHFFFAOYSA-N 336.804 2.590 30 40 EFEB CC/N=C(\NCC)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1 66243626 QAIOVCAQZFAJAW-KBPBESRZSA-N 336.455 2.514 30 40 EFEB C[C@H](O/N=C/c1ccc(OC(F)F)cc1)C(=O)NCC(F)(F)F 15315024 IXEAFOJDVGGQOF-IOVQKJTJSA-N 340.248 2.706 30 40 EFEB CN(C)C(=O)CCNc1c(C#N)cnc2ccc(OC(F)F)cc12 91453313 QNZBVPIBHDYKPK-UHFFFAOYSA-N 334.326 2.598 30 40 EFEB CCNC(=O)[C@@H]1CCCN(c2ccc(C#N)cc2C(F)(F)F)C1 89977384 XYDIBBKYYQVRTA-GFCCVEGCSA-N 325.334 2.930 30 40 EFEB CN(C)c1ncc(C/N=C(/O)[C@@H]2C[C@@]23CCOc2ccccc23)n1C 329746963 ZBPDXHHGMLUWNP-HNAYVOBHSA-N 340.427 2.683 30 40 EFEB COC(=O)c1ccc(Oc2c(N)cc(C#N)n2C[C@@H]2CCCO2)cc1 225887298 XDUPCTZESDMOCW-HNNXBMFYSA-N 341.367 2.700 30 40 EFEB C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N1CCc2c(cccc2OC)C1 281799701 MMRVTDCCDLKTRS-KSSFIOAISA-N 330.428 2.744 30 40 EFEB C=CCSC1=N[C@@H]2CS(=O)(=O)C[C@H]2N1c1ccc(Cl)cc1 13736168 HINGMBCZQDGFGH-CHWSQXEVSA-N 342.873 2.601 30 40 EFEB N#Cc1ccccc1/C=C/C(=O)NCCN1CCc2ccccc2C1 30317881 UTPDGQMUBVQFIN-MDZDMXLPSA-N 331.419 2.746 30 40 EFEB CC1=CC(=O)[C@H](C(=O)/C=C/c2ccc(Br)cc2)C(=O)O1 22200980 UUHNHXIWFJXSJD-GBXSZLQWSA-N 335.153 2.677 30 40 EFEB COc1ccccc1[C@@H](NC(=O)c1cccc(C#N)c1)c1nccn1C 22750133 XJULQNZMJKVBHO-GOSISDBHSA-N 346.390 2.820 30 40 EFEB COc1ccc(C(=O)[C@]2(C)N(O)[C@H](C)C(c3ccccc3)=[N+]2[O-])cc1 7813394 PKIIXIJXLRUQSM-BFUOFWGJSA-N 340.379 2.687 30 40 EFEB C=C(C)CSc1nnc(-c2cc(-c3ccc(F)cc3)n[nH]2)n1N 9110545 YAOBGPSRYFJDQV-UHFFFAOYSA-N 330.392 2.856 30 40 EFEB N#Cc1ccc(CN2C(=O)N[C@]3(CCCc4ccccc43)C2=O)cc1 2622656 SQSHXJGGUXNCLB-FQEVSTJZSA-N 331.375 2.842 30 40 EFEB Cc1cc(=O)oc2cc(NC(=O)COc3ccc(C#N)cc3)ccc12 14115531 FAKXFDPOXGKUOV-UHFFFAOYSA-N 334.331 2.991 30 40 EFEB Cc1c(C=Nn2c(O)nc3ccccc3c2=O)c2ccccc2n1C 409356296 GLEUPDMWMMIZOJ-UHFFFAOYSA-N 332.363 2.784 30 40 EFEB CC(C)c1nnnn1CC(=O)Nc1cc(C(C)(C)C)sc1C#N 91207856 HYCBAJBALGJKFN-UHFFFAOYSA-N 332.433 2.666 30 40 EFEB CCOCCCNC(=O)c1occc1COc1cccc(C#N)c1 69773930 UNDOYUCVWRXYLI-UHFFFAOYSA-N 328.368 2.887 30 40 EFEB CCn1c(-c2ccncc2)nn(CN(CCC#N)C2CC2)c1=S 69921370 MAIJXPDWBYTPBR-UHFFFAOYSA-N 328.445 2.832 30 40 EFEB CCn1cnnc1[C@H]1CCCN(C(=O)Nc2ccc(CC#N)cc2)C1 95985634 WNROZGXPCNGNHE-HNNXBMFYSA-N 338.415 2.776 30 40 EFEB Cc1nnc(S)n1/N=C/c1ccc(-c2ccc(C(=O)O)cc2)o1 408858131 MLPWZWTWJJTFLG-LZYBPNLTSA-N 328.353 2.716 30 40 EFEB CS(=O)(=O)N(CCOc1ccc(C#N)cc1F)Cc1ccccc1 188115648 ZVZAYWMDURGRME-UHFFFAOYSA-N 348.399 2.538 30 40 EFEB COC[C@@]1(C#N)[C@H](c2ccc(F)cc2)[C@@H]1S(=O)(=O)c1ccccc1 218448626 JAPSKVJVPSFZDR-SQNIBIBYSA-N 345.395 2.922 30 40 EFEB C#CCN1CCC(C(=O)Nc2c3c(nn2-c2ccccc2)CCC3)CC1 63474278 HDICNKILNYBEIK-UHFFFAOYSA-N 348.450 2.645 30 40 EFEB N#Cc1cc(N)c(Cc2ccccc2)n1CC(=O)N1CCCCCC1 225859538 KNTOUZBFJREFES-UHFFFAOYSA-N 336.439 2.935 30 40 EFEB O=C(/C=C/c1cnc(N2CCOCC2)nc1)c1ccc(Cl)s1 59404731 GMLLRJQLVFKZOP-OWOJBTEDSA-N 335.816 2.924 30 40 EFEB COc1ccccc1[C@H](C#N)NC(=O)[C@@H](C)N1CCc2ccccc2C1 96412382 JEUAWJXYHBJMDS-BEFAXECRSA-N 349.434 2.823 30 40 EFEB COC(=O)[C@@H](C#N)c1nc2ccccc2nc1N1C[C@@H](C)C[C@H](C)C1 5954883 ORUOZITUZVUTOH-IHRRRGAJSA-N 338.411 2.892 30 40 EFEB COc1cc(C#N)ccc1OCC(=O)c1[nH]c(C)c(C(C)=O)c1C 5169816 RJIDQZFHSQKTCK-UHFFFAOYSA-N 326.352 2.976 30 40 EFEB N#Cc1nccnc1N[C@H]1CCN(c2ccccc2OC(F)F)C1 72286884 RRQOOGMNOVMYHG-NSHDSACASA-N 331.326 2.640 30 40 EFEB Cc1nc(NS(=O)(=O)c2cccs2)sc1SCC#N 66253610 UWNHESZBMPZLOK-UHFFFAOYSA-N 331.469 2.930 30 40 EFEB S=c1[nH]nc(-c2n[nH]c3c2CCC3)n1/N=C/C=C/c1ccco1 9358954 QNHXZESVEAJTLD-JJJMAJKISA-N 326.385 2.960 30 40 EFEB C#Cc1cccc(N/C(N)=N\Cc2ccc(OC)c(OC)c2OC)c1 69514381 LYNCIXDIUANVNS-UHFFFAOYSA-N 339.395 2.621 30 40 EFEB Cc1nc(C)n(C[C@@H]2CCCN2CCCOc2ccc(C#N)cc2)n1 69510920 FYMAPXGEILEVIG-SFHVURJKSA-N 339.443 2.700 30 40 EFEB C[C@H](Cc1ccc(F)c(Br)c1)C(=O)NC1(C#N)CC1 95421497 MCIGLDUOAQEQKV-SECBINFHSA-N 325.181 2.939 30 40 EFEB C=CCOc1ccc(/C=N/NC(=S)NCC)cc1Br 33740610 KAUJHUGYAXLXGC-CXUHLZMHSA-N 342.262 2.832 30 40 EFEB N#CC1(C#N)[C@@H](c2ccc(F)cc2)[C@H]1S(=O)(=O)c1ccccc1 218365840 QDFNBEBNDYVNPA-JKSUJKDBSA-N 326.352 2.799 30 40 EFEB COc1ccccc1[C@H]1C(C(C)=O)=C(O)C(=O)N1CCCOC(C)C 40357820 ODJVRCMHLNKZQA-KRWDZBQOSA-N 347.411 2.795 30 40 EFEB COc1ccc(C2=NO[C@H](C/N=C(/O)CN3CCC[C@H]3C)C2)cc1F 330032866 SMOPNJJEUASXKH-OCCSQVGLSA-N 349.406 2.768 30 40 EFEB CC(C)(NC(=O)COc1ccccc1C#N)c1ccc([N+](=O)[O-])cc1 96456506 PHSXFVXHKVXHQI-UHFFFAOYSA-N 339.351 2.897 30 40 EFEB N#Cc1ccc(N2C[C@]3(CCN(Cc4ccccn4)C3)CC2=O)cc1 96238834 LOGUQJHCAGOQSB-HXUWFJFHSA-N 332.407 2.582 30 40 EFEB CC(C)(C)n1cc(/C=C/C(=O)c2cc(Br)no2)nn1 585135847 FWUDCOJYOMHBIE-SNAWJCMRSA-N 325.166 2.680 30 40 EFEB C/C=C1\C[N@+]2(CC)CC[C@]34c5cccc(O)c5N[C@H]3[C@H](C=O)[C@H]1C[C@H]42 585153192 HCWGCPNDPRYCOT-LAGUBREHSA-O 339.459 2.828 30 40 EFEB biogenic,in-vitro Cn1ncc2c1CCC[C@H]2NC(=O)CCSc1ccc(C#N)cc1 69515968 LXRYEAWLIDNXQH-MRXNPFEDSA-N 340.452 2.968 30 40 EFEB CCOC/C(O)=N/S(=O)(=O)c1ccc(F)c(C(F)(F)F)c1 71883896 UQEPSUBIWVSWNA-UHFFFAOYSA-N 329.271 2.526 30 40 EFEB O=c1[nH]nc(-c2ccccc2)n1/N=C\c1c(O)ccc2ccccc12 5837135 DURPQMOKNMDKQS-NDENLUEZSA-N 330.347 2.979 30 40 EFEB C=CC[C@H]1N([C@H](C)c2ccccc2)C(=O)[C@@H]2[C@H](C(=O)O)[C@H]3C=C[C@]21O3 12660102 YWYCUWTWYARELT-ZPLNJUFRSA-N 339.391 2.559 30 40 EFEB Cc1nc2n(n1)[C@H](c1ccc([N+](=O)[O-])cc1)C1=C(C[C@H](C)CC1=O)N2 14608141 XKKCBXKWRJJXIO-XXFAHNHDSA-N 339.355 2.763 30 40 EFEB COc1ccc(Br)cc1/C=N\N1C(=O)CSC1=S 15924483 NMPQXMMUYCTSIY-ACAGNQJTSA-N 345.243 2.652 30 40 EFEB Cc1cccc(N2CCN(C(=O)[C@@H](C)Oc3ccc(C#N)cc3)CC2)c1 16281192 SZCVCDMOSBCIRS-QGZVFWFLSA-N 349.434 2.983 30 40 EFEB CCOC(=O)[C@@H](C)N1C(=O)S/C(=C/c2ccc(C#N)cc2)C1=O 4472152 ALJFHALVNUNMHY-SEEODLKFSA-N 330.365 2.546 30 40 EFEB O=C(CCCCCNC(=O)C12CC3CC(CC(C3)C1)C2)C[N+](=O)[O-] 102157839 SCMVKOHRDRQQOC-UHFFFAOYSA-N 336.432 2.725 30 40 EFEB Cc1csc(C2=C(N)N([C@H](C)CCc3ccccc3)CC2=O)n1 12322905 WDQMLTPFNNWPBY-CYBMUJFWSA-N 327.453 2.985 30 40 EFEB CC1=CC(=O)C(C(C)C)=C/C1=N\S(=O)(=O)c1cccc([N+](=O)[O-])c1 4754989 DABJZCXXCYQTQS-BMRADRMJSA-N 348.380 2.836 30 40 EFEB Cc1nc(-c2ncccn2)sc1C(=O)NCC#Cc1ccccc1 56329113 NONGDJRBWOOBQO-UHFFFAOYSA-N 334.404 2.690 30 40 EFEB N#CCN(Cc1ccccc1)S(=O)(=O)c1cccc2ncccc12 58247001 RGPQWXLWIDMZJK-UHFFFAOYSA-N 337.404 2.949 30 40 EFEB O=S(=O)(/N=C(\O)Cc1cccc(F)c1F)c1cncc(Cl)c1 95460289 GCMYILQYAYMBMW-UHFFFAOYSA-N 346.742 2.901 30 40 EFEB C=C(C)COc1cccc(NC(=O)C(=O)N[C@H](C)c2cccnc2)c1 65620697 KVPUMNZGDQBFKB-CQSZACIVSA-N 339.395 2.852 30 40 EFEB COc1ccc(/C=N/NS(=O)(=O)c2cc(C)ccc2C)cc1OC 5505261 QWNUVVHGIGIWIR-WOJGMQOQSA-N 348.424 2.633 30 40 EFEB C=CCn1cnnc1S[C@H](C)C(=O)Nc1cc(C)ccc1OC 7634140 YHMFEQFBFREHFF-GFCCVEGCSA-N 332.429 2.900 30 40 EFEB C[C@H](NC(=O)C(=O)Nc1ccc(F)c(C#N)c1)c1ccc(F)cc1F 69352096 UPURMMYKTJQUEL-VIFPVBQESA-N 347.296 2.791 30 40 EFEB C=C(Cl)CN1CCCN(C(=O)CCc2ccc(OC)cc2)CC1 69437584 MTTXTOUEXBTSCT-UHFFFAOYSA-N 336.863 2.915 30 40 EFEB N#C[C@H](C(=O)CN1CCCCCCC1=O)c1nc2ccccc2o1 71803555 ODVIFPVHMJDJHI-CYBMUJFWSA-N 325.368 2.797 30 40 EFEB Cc1ccc(S(=O)(=O)OCCN(C)C(=O)OC(C)(C)C)cc1 97756575 LHPTXGAYGSHWTC-UHFFFAOYSA-N 329.418 2.567 30 40 EFEB C=CCc1cc(/C=C2/NC(=O)N(CCC)C2=O)cc(OCC)c1O 409250882 YVSHMLBSKKXPIW-GXDHUFHOSA-N 330.384 2.822 30 40 EFEB C[C@@H]1CN(c2ccc(NC(=O)N(C)CCC#N)cc2F)C[C@@H](C)O1 75572830 GVKLZLXSQFZZQL-CHWSQXEVSA-N 334.395 2.817 30 40 EFEB O=C1NC(=S)N(c2ccccc2)C(=O)[C@H]1/C=N/c1ccc(F)cc1 408742019 UIHHMOCZUFXVPD-FVOVHSBVSA-N 341.367 2.592 30 40 EFEB Cc1ccc(S(=O)(=O)[C@H]2[C@H](c3cccc(F)c3)[C@@]2(C#N)CO)cc1 225656430 HESFGOWNIWIOSN-OKZBNKHCSA-N 345.395 2.576 30 40 EFEB CN(Cc1ccccc1)c1nn(-c2cccc([N+](=O)[O-])c2)nc1C#N 256048119 QVGGACRGGPWGGR-UHFFFAOYSA-N 334.339 2.684 30 40 EFEB COC(=O)c1ccc(NC(=S)N/N=C/c2ccc(F)cc2)cc1 134388 XSSJJHLOHVJOOH-VCHYOVAHSA-N 331.372 2.933 30 40 EFEB C=C(C)CSc1nnc2n(CCCOC)c(=O)c3ccccc3n12 12046771 XTNWPPZTKYNCNF-UHFFFAOYSA-N 344.440 2.749 30 40 EFEB COC1(OC)[C@@H](/C=C\c2ccc(C)cc2)C(C#N)(C#N)C1(OC)OC 4568257 GYTCFYIQKPCWCT-SNGWPZLWSA-N 342.395 2.650 30 40 EFEB CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)OC(=O)c1ccc2ccccc2n1 5848269 PZLAGFUPGRDBPE-BFUOFWGJSA-N 339.395 2.835 30 40 EFEB Cc1ncnc(N(C)CC2CCN(c3ncccc3C#N)CC2)c1F 2086945970 NDBIVZZBNPSBSC-UHFFFAOYSA-N 340.406 2.544 30 40 EFEB CC(=O)Nc1cccc(NCC(=O)NC2(C#N)CCCCCC2)c1 40050413 AJDAWXRTTISDRB-UHFFFAOYSA-N 328.416 2.790 30 40 EFEB CCOC(=O)C1=C(N)OC2=C(C(=O)CC(C)(C)C2)[C@H]1c1cccnc1 333598 JHVYXRCJWGBQQE-CQSZACIVSA-N 342.395 2.572 30 40 EFEB CC(=O)Nc1ccccc1NOC(=O)c1ccccc1NC(C)=O 1577986 CAYMRKHOOWOGMU-UHFFFAOYSA-N 327.340 2.787 30 40 EFEB COc1cc(/C=N/N2CCN(C)CC2)ccc1OCc1ccccc1 3225808 QBUPPQRUKGDZOQ-RCCKNPSSSA-N 339.439 2.856 30 40 EFEB Cn1cc(/C=C/C(=O)N(Cc2ccc(C#N)cc2)CC(F)(F)F)cn1 58228512 ZRZXVGCZCUOUJK-VOTSOKGWSA-N 348.328 2.896 30 40 EFEB COc1ccc([C@H](NS(=O)(=O)c2cccc(C#N)c2)C2CC2)cc1 12915477 ZQBYBDCSJHQPSI-GOSISDBHSA-N 342.420 2.996 30 40 EFEB Cc1nn2c(N)c(C#N)cnc2c1-c1ccc(Br)cc1 13633831 LWDVKZPKYFSLFK-UHFFFAOYSA-N 328.173 2.921 30 40 EFEB C=CCCC(=O)NCC(=O)Nc1ccc(Br)cc1C 65551858 OKSMTMXGLHGLSD-UHFFFAOYSA-N 325.206 2.778 30 40 EFEB C=CCn1c(COc2ccccc2F)nnc1S[C@H]1CCOC1=O 6609812 AVSJUTSTGZOANG-ZDUSSCGKSA-N 349.387 2.590 30 40 EFEB O=S(=O)(N/N=C1/C[C@H]2C=CC[C@@H]12)c1ccc(Br)cc1 5675221 WHAKSTRHLYVUCR-PCZPHVEJSA-N 341.230 2.679 30 40 EFEB CC(C)(C#N)C(=O)NCCOc1ncc(C(F)(F)F)cc1Cl 96423099 NKSQPEMKFPMYLG-UHFFFAOYSA-N 335.713 2.799 30 40 EFEB COc1ccc(CCC(=O)N[C@H](C#N)CC(C)C)c(OC)c1OC 69462685 WJGOGWKFNCBSTE-AWEZNQCLSA-N 334.416 2.699 30 40 EFEB C=CCOc1ccc(C(=O)N2C[C@H](CC)[C@@H](N(C)C)C2)cc1OC 89948522 HHDARRCWMPWOKD-HOCLYGCPSA-N 332.444 2.672 30 40 EFEB Cc1nc(C)n(C[C@@H]2CCCN(CCOc3ccc(C#N)cc3)C2)n1 69952127 CKBWNQCELTUBQA-GOSISDBHSA-N 339.443 2.558 30 40 EFEB CN(Cc1nc2ccccc2[nH]1)C(=O)c1c(F)cc(C#N)cc1F 531503364 LMZJVHWNJGQQAS-UHFFFAOYSA-N 326.306 2.985 30 40 EFEB N#Cc1nc(-c2ccc(Br)o2)oc1N1CCC[C@H](O)C1 72427581 GIFVKFWHSUXPMU-QMMMGPOBSA-N 338.161 2.530 30 40 EFEB CN1C[C@H](NC(=O)CCc2ccc(C#N)cc2)CC[C@@H]1C(F)(F)F 583618467 ZCZLFAROZJHCAF-HUUCEWRRSA-N 339.361 2.632 30 40 EFEB C=CCOC[C@@H]1CC[C@@H]2[C@@H]1OCCN2C(=O)c1ccc2[nH]ccc2c1 96082471 SZKJTHAZSIGYHR-QXAKKESOSA-N 340.423 2.990 30 40 EFEB N#Cc1cccc(N[C@H]2CO[C@@]3(CCN(Cc4cccs4)C3)C2)n1 96047654 GZTTUWWIPOZCAS-QAPCUYQASA-N 340.452 2.860 30 40 EFEB COC[C@@H]1CN(c2ccc(C#N)c(Cl)c2)C[C@H]1c1cnn(C)c1 585655457 FMBLGWGQBUPOJV-HOCLYGCPSA-N 330.819 2.812 30 40 EFEB CN(C)c1ccc([C@@H]2CCCN2Cc2ccc(C#N)cc2F)nn1 591616796 SJPUSYNYHTUBJB-KRWDZBQOSA-N 325.391 2.890 30 40 EFEB NC(N)=Nc1nc(-c2ccc(NC(=O)c3ccccc3)cc2)cs1 32771489 MIWBHWQKTPLOLT-UHFFFAOYSA-N 337.408 2.967 30 40 EFEB COc1ccc(/C=N/n2cnnc2)cc1Oc1nc(Cl)ncc1F 2312324 ISIYJVKHYVUUMF-DENHBWNVSA-N 348.725 2.544 30 40 EFEB CC(=O)Nc1ccc(/C=N/NS(=O)(=O)c2cc(C)ccc2C)cc1 3322248 POIXSGFUTFCRTR-WOJGMQOQSA-N 345.424 2.574 30 40 EFEB Cc1sc2nc(-c3cccnc3)nc(-n3cnc(C#N)n3)c2c1C 12972402 YXGIPTHWSJHHIU-UHFFFAOYSA-N 333.380 2.823 30 40 EFEB CSC[C@@H](C)/C(O)=N/S(=O)(=O)c1ccccc1OC(F)F 95394269 FCAQHJDWHSRGLZ-MRVPVSSYSA-N 339.385 2.932 30 40 EFEB C#CCNC(=O)c1cccc(S(=O)(=O)Nc2cccc(Cl)c2)c1 14141106 MFGUPQINUKDFMX-UHFFFAOYSA-N 348.811 2.504 30 40 EFEB N#Cc1ncn(CC(=O)Nc2cc(Cl)c(Cl)cc2Cl)n1 14143046 IAXDKMXRNGMUDS-UHFFFAOYSA-N 330.562 2.749 30 40 EFEB C=CCCO[C@H](C)C(=O)N1CCC(C(=O)O)(c2ccccc2)CC1 95424104 ZFFQIEVXISAFPD-OAHLLOKOSA-N 331.412 2.613 30 40 EFEB C#CCNC(=O)CSc1nc2c(n1-c1ccccc1)CCCC2 7247924 KRJVPHTYGIKZBH-UHFFFAOYSA-N 325.437 2.593 30 40 EFEB C[C@H]1CN(S(=O)(=O)c2cccc(C#N)c2)[C@@H](c2ccccc2)CO1 110633302 ROHVOLUCKBEXMW-KBXCAEBGSA-N 342.420 2.709 30 40 EFEB N#Cc1ccc(OCCCN2CCO[C@H](c3nccs3)C2)cc1 97199958 GGOGLBVXAIJRFT-INIZCTEOSA-N 329.425 2.857 30 40 EFEB N#Cc1c(NCCOc2ccc3c(c2)CCC(=O)N3)nc2ccccn12 97238149 SAAZMMNWAOGQCR-UHFFFAOYSA-N 347.378 2.582 30 40 EFEB C=CCn1ncc(CN2[C@H]3CC[C@@H]2Cc2c3cnc3cc(C)nn23)c1C 72336952 XFQKICOBUAJGBL-AEFFLSMTSA-N 348.454 2.990 30 40 EFEB Cc1cc(N2CCN(c3cc(C#N)c4ccccc4n3)CC2)nc(C)n1 96412864 MJDZVQGDVQHYEZ-UHFFFAOYSA-N 344.422 2.840 30 40 EFEB N#C[C@H]1C[C@@H]2CC3(CC[C@@H]2CN1C(=O)c1ccccc1)OCCO3 5808680 XIPRMSHMVONOPL-BRWVUGGUSA-N 326.396 2.584 30 40 EFEB C=CCn1c(N2CCC(C(=O)NCC3CC3)CC2)nc2ccccc21 12116489 XKPQFHHLKQQULM-UHFFFAOYSA-N 338.455 2.965 30 40 EFEB COC(=O)COc1ccc2c(c1)O/C(=C\c1ccccc1F)C2=O 8990666 HBHSTBOCWHLFKN-PXNMLYILSA-N 328.295 2.994 30 40 EFEB N#C[C@@H](C(=O)NC[C@H]1CCCO1)C(=O)c1cc2c(F)cccc2s1 103502349 VDNHUAMXWQBVPK-ZYHUDNBSSA-N 346.383 2.658 30 40 EFEB N#CC1(C#N)[C@]23CCCC[C@@H]2C[C@]2(CCCCC2=O)[C@@]1(C#N)C(=N)O3 102686822 WZHIALLOUWXHNU-HQJJXPTPSA-N 336.395 3.000 30 40 EFEB CCCCCCCCCCS(=O)(=O)c1nc(NC(C)=O)n[nH]1 103764339 OKMHWINFYMWSLE-UHFFFAOYSA-N 330.454 2.678 30 40 EFEB CS(=O)(=O)c1ccc(Cl)c(C(=O)OCc2ccc(C#N)cc2)c1 3384677 WNOULICSJSKWPE-UHFFFAOYSA-N 349.795 2.972 30 40 EFEB N#CCn1c(CN2CCCc3ccccc32)nc2ccccc2c1=O 9113615 GZBCOELOQKHMDE-UHFFFAOYSA-N 330.391 2.873 30 40 EFEB N#Cc1nccnc1N1CCC([C@H](O)c2ccc(Cl)cc2)CC1 67373712 FEEPEEOGTHEWSN-MRXNPFEDSA-N 328.803 2.952 30 40 EFEB N#Cc1ccccc1CSCCNC(=O)COc1ccccc1 7281344 SFWFMNDJWPZCFH-UHFFFAOYSA-N 326.421 2.987 30 40 EFEB Cc1ccc(N=C[C@H]2C(=O)NC(=O)N([C@@H]3C[C@H]4CC[C@H]3C4)C2=O)cc1 408527556 OVHWNYTXEUQLTK-DARAHFNDSA-N 339.395 2.581 30 40 EFEB O=S(=O)(/N=C(\O)c1cccn1C1CC1)c1cncc(Cl)c1 97049105 FOKQLIBSQORCHN-UHFFFAOYSA-N 325.777 2.565 30 40 EFEB COc1ccc(C#N)cc1CN[C@@H](C)c1ccc(-n2cncn2)cc1 95984295 QQHCQFUUMOQESY-AWEZNQCLSA-N 333.395 2.998 30 40 EFEB CCOC(=O)c1sc(NC(=O)CN2CCC(C)CC2)c(C#N)c1C 409385464 MDBMHGOHARIBFW-UHFFFAOYSA-N 349.456 2.775 30 40 EFEB Cc1ccc(C(=O)N2CCC(/N=C(/O)c3ccsc3)CC2)c(O)n1 328862888 AZHQRMBZKRIAAH-UHFFFAOYSA-N 345.424 2.767 30 40 EFEB Cc1ccc(N2CCCC2)c(C(=O)NCCNc2ncccc2C#N)c1 96408390 CQQFKWYRTQLIPY-UHFFFAOYSA-N 349.438 2.704 30 40 EFEB CC(C)(C)OC(=O)N1CCC[C@H](C#CC(=O)NCCc2ccco2)C1 585121153 HJEOFGYXTABGJR-OAHLLOKOSA-N 346.427 2.589 30 40 EFEB CCn1c(C)cc(C(=O)CSc2nc(N)c(C#N)cc2C#N)c1C 60791850 VFEILYATGSFRHL-UHFFFAOYSA-N 339.424 2.820 30 40 EFEB N#CC1(C#N)[C@H]2CCCC[C@@]23OC(=N)[C@]1(C#N)[C@@H](c1ccccn1)O3 13800405 NOXTVQOPVZZGHA-KJWYOANISA-N 333.351 2.590 30 40 EFEB Cc1csc(-c2ccc(C(=O)[C@H](C#N)C(=O)NC(C)C)cc2)n1 103735816 LURZGJQDCFDZSJ-AWEZNQCLSA-N 327.409 2.966 30 40 EFEB COc1ccc(/C=C2\S/C(=N\N=C\c3ccco3)NC2=O)cc1 28295051 ZESSGKNUTUDZMM-WXYRWYTRSA-N 327.365 2.882 30 40 EFEB N#CCCN(Cc1cccnc1)S(=O)(=O)c1ccc2c(c1)CCC2 48332189 WMQUIRQTDJRBDW-UHFFFAOYSA-N 341.436 2.675 30 40 EFEB N#Cc1ccc(N[C@@H]2CCc3nnc(-c4ccc(F)cc4)n3C2)nc1 96002415 MEHYQVALXTUYCY-OAHLLOKOSA-N 334.358 2.778 30 40 EFEB N#Cc1cc2c(=O)n3ccccc3nc2n(-c2cccc(Cl)c2)c1=O 5152555 IIYAEXGQYLFAHR-UHFFFAOYSA-N 348.749 2.524 30 40 EFEB N#Cc1ccc(C(F)(F)F)nc1NCc1cccnc1-n1cncn1 71908974 YSPVZDSOJASMMW-UHFFFAOYSA-N 345.288 2.560 30 40 EFEB C#CCN1CCC(C(=O)N2CCC(Cc3ccc(F)cc3)CC2)CC1 69530211 HWUAWWVOCBQQQE-UHFFFAOYSA-N 342.458 2.952 30 40 EFEB C#Cc1cccc(N(Cc2ccco2)C(=O)c2ccn(C)c(=O)c2)c1 69662497 LVFJFWHKUGXHGR-UHFFFAOYSA-N 332.359 2.807 30 40 EFEB CC(C)N(C)S(=O)(=O)/N=C(\O)[C@H](C)CCc1ccccc1F 95404954 GQKNYAHNXKUHTK-GFCCVEGCSA-N 330.425 2.936 30 40 EFEB C=CCN1C(=O)N/C(=C/c2cc(Cl)c(OC)c(OCC)c2)C1=O 409146229 KEMCUMHRWHKTLL-XYOKQWHBSA-N 336.775 2.826 30 40 EFEB N#C[C@H](NC(=O)CNC(=O)c1ccsc1)c1cccc(Cl)c1 97162744 IYIKWXAJUXBJLX-ZDUSSCGKSA-N 333.800 2.512 30 40 EFEB C[C@@H](CS(=O)(=O)NCc1cc(C#N)ccc1F)c1ccccc1 89904110 SNIHCAGKIXHALY-ZDUSSCGKSA-N 332.400 2.920 30 40 EFEB C=CCN(Cc1ccc(C#N)cc1)C(=O)c1[nH]ncc1Br 78929001 FIDAZQPKEGXXFB-UHFFFAOYSA-N 345.200 2.872 30 40 EFEB CCCCCCCCNC(=O)c1c(O)n2ccc(C)cc2nc1=O 226822138 OOEJNOIUBYKDFJ-UHFFFAOYSA-N 331.416 2.799 30 40 EFEB C=C(Br)CSc1nnc(-c2ccc(C)cc2)n1N 48833727 MVFGUSYXVHRDCB-UHFFFAOYSA-N 325.235 2.968 30 40 EFEB COCCCN/C(=N/[C@@H](C)c1cccs1)NCC[C@@H]1CCCO1 75583308 FJDCCHBKVMYBCN-GJZGRUSLSA-N 339.505 2.950 30 40 EFEB CC(=O)N1CC[C@H](CN(C)c2ccc(Br)cc2C#N)C1 97083955 FEKFFHUNHSXVSY-GFCCVEGCSA-N 336.233 2.625 30 40 EFEB C=C[C@H](O)C#CC#CCCCCCCC/C=C\[C@@H](O)COC(C)=O 31162124 QOFRZLPEVGHKCQ-TVUWTRKXSA-N 332.440 2.751 30 40 EFEB biogenic,in-vitro O=C1C[C@H](C(=O)Nc2ccc(F)c(Cl)c2)C2=C(CCCC2=O)N1 100418195 CXBKRNMOWLQZSD-VIFPVBQESA-N 336.750 2.561 30 40 EFEB CN(C)c1ccc(/C=N/Nc2nnc(Cc3ccccc3)c(O)n2)cc1 8997127 RGQSRXVSQVEQLJ-DEDYPNTBSA-N 348.410 2.680 30 40 EFEB CCOCCC/N=C(\NCc1ccccc1)NCc1nccs1 75583181 HZTFLXUCERSJHN-UHFFFAOYSA-N 332.473 2.805 30 40 EFEB CCOC(=O)c1c(NC(=O)C[n+]2ccccc2)sc2c1CCCC2 4129298 YOTGQQJOLGZTGV-UHFFFAOYSA-O 345.444 2.730 30 40 EFEB COc1ccc(/C=N/N2CCOCC2)cc1OCc1ccccc1 3248184 GPEDSNPAMPROKO-XSFVSMFZSA-N 326.396 2.940 30 40 EFEB Cc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)OCC#N)c2)cc1 3351462 YDMKZZPIUVHMRG-UHFFFAOYSA-N 344.392 2.501 30 40 EFEB C[C@H](C/C(O)=N/S(=O)(=O)c1cccc2nsnc12)C1CC1 64667534 MIKFPMSIWZWKKH-MRVPVSSYSA-N 325.415 2.773 30 40 EFEB CC(=O)C1=C(O)C(=O)N(CCc2cnc[nH]2)[C@H]1c1ccc(Cl)cc1 4626061 MVUHCOSEKJCPPS-HNNXBMFYSA-N 345.786 2.590 30 40 EFEB C[C@@H](C(=O)N(CCC#N)c1ccccc1)N(C)CCc1ccncc1 95454727 FFQUYNNXWYWPIF-KRWDZBQOSA-N 336.439 2.891 30 40 EFEB Cc1ccc(C[C@H](C)NS(=O)(=O)Cc2cccc(C#N)c2)s1 71915784 IUOJFPYHTQHQHE-LBPRGKRZSA-N 334.466 2.979 30 40 EFEB CC/N=C(/NCc1noc(C)n1)NCc1ccc(C)cc1OC(C)C 97021920 DFBNTPQFIJUZSU-UHFFFAOYSA-N 345.447 2.729 30 40 EFEB C#CCOCCC(=O)NCc1cccc(C(=O)Nc2ccccc2)c1 95974986 USZALYGVACNVSO-UHFFFAOYSA-N 336.391 2.595 30 40 EFEB C[C@H](OC[C@H]1CCCCO1)/C(O)=N/S(=O)(=O)C1CCCCC1 75126166 ZRALEIHEZHMKNP-QWHCGFSZSA-N 333.450 2.580 30 40 EFEB C#Cc1cccc(N(C)Cc2csc(N(CCOC)C(C)=O)n2)c1 72962413 JJYWADSGLKTCJU-UHFFFAOYSA-N 343.452 2.760 30 40 EFEB N#Cc1cccc(C(=O)N[C@@H]2CCCc3c2cnn3-c2ccncc2)c1 71195719 JQLUPMGRRACVDJ-GOSISDBHSA-N 343.390 2.946 30 40 EFEB N#Cc1cccc(N[C@@H]2CO[C@@]3(CCN(Cc4cccs4)C3)C2)n1 96047655 GZTTUWWIPOZCAS-YJBOKZPZSA-N 340.452 2.860 30 40 EFEB C=CCOC[C@]12CCCO[C@@H]1CCN(C(=O)c1cccc(C)n1)C2 96039654 QOTQUTGGJMFADN-IEBWSBKVSA-N 330.428 2.604 30 40 EFEB O=C1ON=C(c2ccc(Cl)c([N+](=O)[O-])c2)/C1=C/c1cccnc1 12374782 YWONEIZZUVKGAU-WDZFZDKYSA-N 329.699 2.988 30 40 EFEB COc1cc(C#N)ccc1OCC(=O)N1CCC[C@H]1c1cc(C)no1 53235525 LXMWBQBRUAFVPD-AWEZNQCLSA-N 341.367 2.606 30 40 EFEB COc1ccc(OC)c([C@@H]2[C@H]3CCCC[C@]3(O)CCN2CC#N)c1 33652721 QMJFUVFWXGMIAN-QRQLOZEOSA-N 330.428 2.895 30 40 EFEB C=CCSc1nnc(NC(=O)COc2ccc(OC)cc2)s1 7594533 AFMRQYANFCWWME-UHFFFAOYSA-N 337.426 2.842 30 40 EFEB COc1ccc(C(=O)OCC(=O)N(CCC#N)c2ccccc2)cc1 3219512 MBNBZDPSPOIUFM-UHFFFAOYSA-N 338.363 2.799 30 40 EFEB Cn1cc(Cl)cc1C(=O)N1CCN(Cc2ccc(C#N)cc2)CC1 27103340 ZVYWZAZCEOCAKN-UHFFFAOYSA-N 342.830 2.508 30 40 EFEB C[C@H](Oc1ccc(C#N)cc1)C(=O)N1CCC(N2CCCCC2)CC1 58213562 JXBGNUXMALFZQW-INIZCTEOSA-N 341.455 2.802 30 40 EFEB CN(C)S(=O)(=O)c1ccc(CNc2cccc(F)c2C#N)s1 48332344 JXRSJZHLOPFGDT-UHFFFAOYSA-N 339.417 2.621 30 40 EFEB COc1ccccc1-n1cc(C(=O)c2ccccc2O)cc(C#N)c1=O 2644216 JVRJLHNYMKILHW-UHFFFAOYSA-N 346.342 2.654 30 40 EFEB CN1CCN(Cc2ccccc2CNCc2ccc(C#N)cc2)CC1 48783128 RELSVWIDJLNGRT-UHFFFAOYSA-N 334.467 2.595 30 40 EFEB COc1ccc([C@@H]2NC(=O)NC3=C2C(=O)CC(C)(C)C3)cc1OC 5231362 GUDHMBKCNFNONV-INIZCTEOSA-N 330.384 2.701 30 40 EFEB N#Cc1cccnc1NC[C@H]1CCN(c2ncnc3ccsc23)C1 65474014 UDVCOXIWBUHOSE-GFCCVEGCSA-N 336.424 2.896 30 40 EFEB C#CCCN1CCN(C(=O)c2csc(-c3ccccc3F)n2)CC1 65512791 AYYVWZMBPYRYOW-UHFFFAOYSA-N 343.427 2.730 30 40 EFEB CCOc1ccc(C#N)cc1NC(=O)N1CC[C@@H](N2CCCC2)C1 66161029 NSNLXQGKEJEWIE-OAHLLOKOSA-N 328.416 2.659 30 40 EFEB CCO[C@@H](C)/C(O)=N/S(=O)(=O)c1ccc(F)c(C(F)(F)F)c1 71883904 SQAXLVCCQDNAIG-ZETCQYMHSA-N 343.298 2.915 30 40 EFEB C=CCNc1nc(C(=O)OCC(=O)N2CCCCCCC2)cs1 19140704 LHMYMUIXJQNYCX-UHFFFAOYSA-N 337.445 2.691 30 40 EFEB COc1ccc(-c2nsc(NC(=O)c3cc(C#N)cn3C)n2)cc1 84314395 KMQVYYMKCTUTPC-UHFFFAOYSA-N 339.380 2.676 30 40 EFEB COC(=O)c1cccc(/N=C/c2ccc(N3CCOCC3)o2)c1C 409011943 PFNZZLUARLJSNA-XDHOZWIPSA-N 328.368 2.962 30 40 EFEB CC(=O)N[C@H]1CCCN(Cc2cccn2Cc2ccccc2C#N)C1 189664414 AVFQZFFTKPCVNH-IBGZPJMESA-N 336.439 2.509 30 40 EFEB COc1ccccc1OCCN1C(=O)/C(=N\O)c2ccc(Cl)cc21 46084658 FMTAMBIRJUUDCU-MNDPQUGUSA-N 346.770 2.953 30 40 EFEB Cn1ncc(/C(O)=N/S(=O)(=O)C2CCCC2)c1-c1ccccc1 96491252 UZKBEDMOEQZTFS-UHFFFAOYSA-N 333.413 2.664 30 40 EFEB C#CCCCC(=O)Nc1nccc(I)c1C 585130822 CTBSVCYMARPZPO-UHFFFAOYSA-N 328.153 2.737 30 40 EFEB N#CCc1ccc(OC/C(O)=N/S(=O)(=O)c2cccs2)cc1 64665680 SZQMSETVMGTESN-UHFFFAOYSA-N 336.394 2.538 30 40 EFEB Nc1nc2c(c(=O)[nH]1)[C@H](c1ccccc1Cl)C1=C(CCCC1=O)N2 17071620 DQXUQBMZBCBYRP-GFCCVEGCSA-N 342.786 2.570 30 40 EFEB CC(=N\O)/C(=N/NS(=O)(=O)c1ccc(C)cc1)c1ccc(C)cc1 19203560 WPUGNAJXMKVPJS-VEHOVBPFSA-N 345.424 2.836 30 40 EFEB O=S(=O)(N/N=C\c1cccc(Br)c1)c1ccccc1 30826576 RSBSJVPEAMDONA-GDNBJRDFSA-N 339.214 2.762 30 40 EFEB Cc1ccc2[nH]c3c(=O)n(/N=C/c4ccc([N+](=O)[O-])cc4)cnc3c2c1 499697 GUSYTVZAZQINHJ-AWQFTUOYSA-N 347.334 2.977 30 40 EFEB Cn1c(Nc2ccccc2)c(/C=N/c2ccccc2)c(=O)n(C)c1=O 104317009 RATIBZWAMRLVSZ-DEDYPNTBSA-N 334.379 2.578 30 40 EFEB CN1C(=O)[C@H](CC(=O)Nc2ccccc2)S/C1=N/c1nccs1 100261613 XTDKHDWWQQUMSJ-IRPICPOESA-N 346.437 2.733 30 40 EFEB O=C1CCCC(O)=C1[C@@H](c1ccc(O)c(O)c1)C1C(=O)CCCC1=O 101674154 PXLAOQDFNFMDJT-KRWDZBQOSA-N 344.363 2.685 30 40 EFEB N#Cc1cc(NS(=O)(=O)c2cccc(C(=O)O)c2)ccc1Cl 10514789 HUPFRDJHMVREEX-UHFFFAOYSA-N 336.756 2.711 30 40 EFEB CC/N=C1/S[C@H](CC(=O)N[C@H](C)c2ccccc2)C(=O)N1CC 13482132 AMSMDYHRNCZFJL-ZQXLEQPTSA-N 333.457 2.594 30 40 EFEB N#Cc1ccc(NS(=O)(=O)c2ccc3c(c2)OCCCO3)cc1 7056116 ZMAUWGOIEIKGGB-UHFFFAOYSA-N 330.365 2.520 30 40 EFEB COc1ccccc1[C@H](C#N)NC(=O)c1ccc2c(c1)nc(C)n2C 68358166 QSBOQEUFIHTYAO-INIZCTEOSA-N 334.379 2.885 30 40 EFEB N#Cc1cccc(CNC(=O)NCCOc2ccc(F)cc2F)c1 69568822 XFZNHNAVOJDLHW-UHFFFAOYSA-N 331.322 2.715 30 40 EFEB COc1ccc(C#N)cc1NC(=O)NC[C@H](O)c1ccccc1F 69780412 YOTBKZMILBKILN-HNNXBMFYSA-N 329.331 2.561 30 40 EFEB Fc1cnc(NN=Cc2ccccc2Cl)nc1N1CCOCC1 408729990 MNANSOSHNQXJFC-UHFFFAOYSA-N 335.770 2.552 30 40 EFEB CCN1C(=O)C(CC(=O)O)=C(C(=O)c2cccc(C)c2)[C@@H]1SC 62716326 RZRLZFLAOHUMPD-KRWDZBQOSA-N 333.409 2.500 30 40 EFEB Cc1ccc(S(=O)(=O)[C@@H]2[C@H](c3cccc(F)c3)[C@]2(C#N)C=O)cc1 218570107 RNWORIGFUVXEMI-KSZLIROESA-N 343.379 2.783 30 40 EFEB COc1ccccc1OCCCN1C(=O)/C(=N\O)c2ccccc21 46085072 RUISIHJALRWGCW-ZPHPHTNESA-N 326.352 2.689 30 40 EFEB C=CCO[C@@H](C)C(=O)N[C@@H]1CCN(c2ccccc2OC(F)F)C1 96408153 BBOQRUIUULNWDX-QWHCGFSZSA-N 340.370 2.574 30 40 EFEB C/C=C1\C[N@+]2(CC)CC[C@]34c5cccc(O)c5N[C@@H]3[C@H](C=O)[C@H]1C[C@H]42 254624444 HCWGCPNDPRYCOT-FHJPBLMNSA-O 339.459 2.828 30 40 EFEB biogenic,in-vitro CC[C@]1(C)NC(=O)N(/N=C/c2ccc(N3CCCCC3)s2)C1=O 8340838 XMESNUTWPJZWMH-KTZOAPACSA-N 334.445 2.793 30 40 EFEB C[C@H](NC(=O)CSc1ncc(C#N)c(N)n1)c1ccccc1Cl 7046944 BQXZWXJFZUUTSN-VIFPVBQESA-N 347.831 2.553 30 40 EFEB Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N[C@H]1CCCC[C@@H]1C 40510985 UYGDCFKNRFIZRZ-SJCJKPOMSA-N 339.443 2.845 30 40 EFEB CCN(CC#N)CC(=O)N(C)Cc1ccc2cc(OC)ccc2c1 103701800 QYONWKUEPZFIBQ-UHFFFAOYSA-N 325.412 2.652 30 40 EFEB CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)Cc1cccc(F)c1 47011617 KJWBIIXMVWIDPF-UHFFFAOYSA-N 339.414 2.830 30 40 EFEB N#Cc1ccc(OCC(=O)Nc2ccc(NC(=O)C3CC3)cc2)cc1 12435778 HSNFKFUUJFGQGW-UHFFFAOYSA-N 335.363 2.924 30 40 EFEB Cc1nc(-c2ncccn2)sc1C(=O)N(CC#N)C1CCCC1 78207346 FVMYDJPUIICSEC-UHFFFAOYSA-N 327.413 2.817 30 40 EFEB CC/N=C(\NCc1ccccn1)NC[C@H]1CCO[C@H]1c1ccccc1 104202043 ORSQSEBRWONMRZ-MJGOQNOKSA-N 338.455 2.915 30 40 EFEB N#Cc1cccc(COc2cccc(CNCCCn3cncn3)c2)c1 47700402 BEFOKZKIEJFRSA-UHFFFAOYSA-N 347.422 2.909 30 40 EFEB CC(=O)c1cc(C#N)c(S[C@@H](C)C(=O)NCc2ccco2)nc1C 23223981 KCGMGAMRRCETNB-LBPRGKRZSA-N 343.408 2.854 30 40 EFEB COc1ccc(OC)c2c1CN(c1c(F)cc(C#N)cc1F)C[C@@H]2O 58201761 OPLUHXMAPSJCPL-AWEZNQCLSA-N 346.333 2.907 30 40 EFEB C[C@@H]1CC[C@@H](C)N1CCN1CCN(Cc2ccc(C#N)cc2)CC1 70036959 XLQYKAVTBNPIGZ-QZTJIDSGSA-N 326.488 2.549 30 40 EFEB CC(C)(C)OC(=O)CCNC1CCN(c2ccccc2C#N)CC1 71922037 QJYODOWAJGXMEM-UHFFFAOYSA-N 329.444 2.848 30 40 EFEB C=CCOc1ccc(C(=O)NCCn2c(C3CC3)n[nH]c2=S)cc1 72292906 WINZLDZOVLQZAJ-UHFFFAOYSA-N 344.440 2.813 30 40 EFEB C[C@@](C#N)(NC(=O)CN(CCc1ccc(F)cc1)C1CC1)C1CC1 72287010 SSQBCCIPKMTMJE-IBGZPJMESA-N 329.419 2.641 30 40 EFEB C#CCOc1ccccc1NC(=O)N1CCC(N2CC=CC2)CC1 188879766 ZMQRRUOEDSLELO-UHFFFAOYSA-N 325.412 2.567 30 40 EFEB Cc1cccc(S(=O)(=O)/N=C(\O)CSCc2ccncc2)c1 78442033 ZNKGZSPRZGUPJW-UHFFFAOYSA-N 336.438 2.969 30 40 EFEB N#Cc1cccc(CN2CC[C@]3(CCCN(c4ncccn4)C3)C2)c1 96216851 JYZFIAWWZZJQFG-HXUWFJFHSA-N 333.439 2.841 30 40 EFEB C#Cc1cccc(NS(=O)(=O)c2cc(C(=O)O)cc3c2CCC3)c1 55580029 RSYPDDHHVIJMGB-UHFFFAOYSA-N 341.388 2.656 30 40 EFEB Cc1ccc(S(=O)(=O)/N=C(\O)Nc2ccc(Cl)cn2)cc1 337674 XUHSSOLDKHJITJ-UHFFFAOYSA-N 325.777 2.758 30 40 EFEB C=CCN1C(=O)/C(=C/c2ccccc2OCC(=O)O)SC1=S 1581281 DTMDNGZSIMSHAK-WQLSENKSSA-N 335.406 2.537 30 40 EFEB COc1ccc(OC)c(N/C=C2\C(=O)Oc3ccccc3C2=O)c1 100642444 PXFBDHZSZSBPND-RAXLEYEMSA-N 325.320 2.802 30 40 EFEB CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)C2CCCC2)cc1 104308456 RIXSOXPSMQGPDR-MNDPQUGUSA-N 349.456 2.628 30 40 EFEB N#C[C@@H](C(=O)O)C(c1c(Cl)cccc1Cl)[C@@H](C#N)C(=O)O 1579513 YPZJRLVFKBMTMP-RNFRBKRXSA-N 327.123 2.526 30 40 EFEB in-vitro C=CCOc1ccc(/C=C2/SC(=S)N(CC(=O)O)C2=O)cc1 1828803 LPGLYVDAHHUSHO-XYOKQWHBSA-N 335.406 2.537 30 40 EFEB C=CCn1c(S[C@H](C)C(=O)NC(=O)NCC)nc2ccccc21 6907857 UKEHKYSBCYQLDP-LLVKDONJSA-N 332.429 2.549 30 40 EFEB CCCc1n[nH]c([C@@H]2CN([C@H](C)c3ccc(C#N)cc3)CCO2)n1 107056949 RKWIAHISZYOXOL-CJNGLKHVSA-N 325.416 2.763 30 40 EFEB C=CCN(Cc1cccs1)C(=O)Nc1ccc(-n2cncn2)nc1 48133165 ZGJZHEALWXZVFD-UHFFFAOYSA-N 340.412 2.944 30 40 EFEB N#Cc1cccc(C(=O)N2C[C@H]3CC[C@H]2[C@@H]3OCc2ccccn2)c1 107806857 KVQOVENHLASOLB-NZSAHSFTSA-N 333.391 2.773 30 40 EFEB CCc1nsc(N2CCCN(Cc3cc(C#N)cs3)CC2)n1 93871638 SVRGKGHHVZHEPQ-UHFFFAOYSA-N 333.486 2.746 30 40 EFEB Cc1nc(C(C)(C)C)[nH]c(=O)c1C(=O)N[C@H](C)c1cccc(C#N)c1 96446881 HSXMBVFBHCOKHK-LLVKDONJSA-N 338.411 2.739 30 40 EFEB CCOC(=O)C1=C(c2ccccc2)NC(=O)N[C@@H]1c1ccc(C#N)cc1 409371939 MYHYWNOONXQBKT-GOSISDBHSA-N 347.374 2.887 30 40 EFEB C[C@H](NC(=O)CC1(N2CCOCC2)CCCC1)c1cccc(C#N)c1 72542985 ZTDCZOVZBSWFOD-INIZCTEOSA-N 341.455 2.771 30 40 EFEB CSc1ccc(S(=O)(=O)N(CCC#N)CC(F)(F)F)cc1 190339969 QSCLEWVCLPXBAX-UHFFFAOYSA-N 338.376 2.875 30 40 EFEB N#Cc1ccc(N2CCC3(CC2)OCCc2ccsc23)nc1N 583704230 ZMXRTLOYISCBDX-UHFFFAOYSA-N 326.425 2.665 30 40 EFEB C=CCCC(=O)N1C[C@H](NC(=O)C(F)(F)F)CC[C@H]1C(F)(F)F 585086061 ICWNTUUZWXOMRV-BDAKNGLRSA-N 346.271 2.553 30 40 EFEB C#CCOc1ccc(NC(=O)NC[C@](C)(O)c2ccc(C)o2)cc1 76069957 MJQKXTXRIQHLCY-SFHVURJKSA-N 328.368 2.629 30 40 EFEB CCNC(=S)N/N=C/c1ccc(-c2ccc(C)cc2[N+](=O)[O-])o1 6954123 MPNXJYXKJRBISN-RQZCQDPDSA-N 332.385 2.981 30 40 EFEB CCOc1ccccc1/C=N/N=c1\[nH]n2cnnc2c2ccccc12 1250657 OOMJJJHQNNNKLW-YBFXNURJSA-N 332.367 2.544 30 40 EFEB CCn1cc(S(=O)(=O)/N=C(\O)Cc2c(C)cccc2C)nc1C 97147612 WMMFFLXOERRDFI-UHFFFAOYSA-N 335.429 2.716 30 40 EFEB N#Cc1nc(-c2cccnc2)oc1N1CCN(c2ccccc2)CC1 35672208 DAXASIJUQVEOFU-UHFFFAOYSA-N 331.379 2.935 30 40 EFEB C[C@@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)N1CCC(O)CC1 27536909 ADPJOXXDUPQKNS-LBPRGKRZSA-N 347.484 2.672 30 40 EFEB CC(=O)c1cccc(O[C@H](C)C(=O)[C@@H](C#N)c2cc(C)nc(C)n2)c1 58267753 TYXOVUKULYOIQG-DYVFJYSZSA-N 337.379 2.940 30 40 EFEB CCCC(=O)C1=C(N[C@H](C)C(=O)O)C[C@H](c2ccccc2)CC1=O 101549131 VMAFENFKCPWJBE-OCCSQVGLSA-N 329.396 2.819 30 40 EFEB C[C@@]1(C(=O)OCC(=O)Nc2sccc2C#N)CC1(Cl)Cl 3336929 FZUGHHVJZXEVSQ-NSHDSACASA-N 333.196 2.685 30 40 EFEB CCn1nc(C)c(/C(O)=N/S(=O)(=O)[C@@H](C)CC(C)C)c1Cl 95404985 SJSPBZWDTAAKND-VIFPVBQESA-N 335.857 2.934 30 40 EFEB CCOC(=O)c1sc2nc(CSCCC#N)[nH]c(=O)c2c1C 2654636 FYNRIQZZPBKQCZ-UHFFFAOYSA-N 337.426 2.617 30 40 EFEB COc1c(Br)cc(C#N)cc1I 26508587 JUHRAQKDTZXGBD-UHFFFAOYSA-N 337.942 2.934 30 40 EFEB N#Cc1ccc(NC[C@H]2CCN(c3ncnc4ccsc34)C2)nc1 65464578 RFWQZJXMXGXEPQ-CYBMUJFWSA-N 336.424 2.896 30 40 EFEB O=C(O)/C=C1/CN([C@@H](C(=O)C2CC2)c2ccccc2F)CC[C@H]1S 115376504 ZWUQVNSJSJHFPS-IKTMDDPPSA-N 349.427 2.861 30 40 EFEB in-vitro Cc1nc2cc(NS(=O)(=O)c3ccc(C#N)cc3)ccc2n1C 83577605 CJHSLYXOAUAMOV-UHFFFAOYSA-N 326.381 2.554 30 40 EFEB COc1ccc([C@H]2C3=C(CCCC3=O)Nc3[nH]nc(O)c32)cc1OC 18195518 KRUTVRXPKDNSDW-AWEZNQCLSA-N 341.367 2.697 30 40 EFEB N#Cc1cccc(NC(=O)CSCc2nc(N)c3ccccc3n2)c1 72275811 MMACMFVUKYPHOU-UHFFFAOYSA-N 349.419 2.956 30 40 EFEB C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@]2(O)[C@H](O)CO 6067499 XNFSGLNHLVHCFT-RMWFXKKMSA-N 348.483 2.603 30 40 EFEB biogenic,in-vitro Cc1nn(C)c(C)c1C[C@@H](C)/C(O)=N/S(=O)(=O)c1cccs1 76756587 XGTALMMATFCQGV-SECBINFHSA-N 341.458 2.622 30 40 EFEB CS(=O)(=O)Cc1ccc(CNc2snc(Cl)c2C#N)cc1 44977078 RUZNQUQTTZYCLW-UHFFFAOYSA-N 341.845 2.825 30 40 EFEB C=CCN1C(=O)/C(=C\c2ccc(OCC(=O)O)cc2)SC1=S 17376408 ASNZDYIZUXJCBX-XYOKQWHBSA-N 335.406 2.537 30 40 EFEB COc1ccccc1[C@@H]1C(C(C)=O)=C(O)C(=O)N1c1ccc(O)cc1 80282 FYANWOCGCLVZDD-QGZVFWFLSA-N 339.347 2.890 30 40 EFEB CC/C(Nc1ccc(N)cc1)=C1\C(=O)CC(C)(C)[C@@H](C(=O)OC)C1=O 100157917 SIYJZWRSNPISCE-UGEDRFTOSA-N 344.411 2.702 30 40 EFEB CCOC(=O)[C@H](NC=C1C(=O)c2ccccc2C1=O)c1ccccc1 100937693 HEABORBHPZNNJQ-QGZVFWFLSA-N 335.359 2.844 30 40 EFEB COc1ccc(-c2c(C#N)c(N)n(-c3ccccc3)c(=O)c2C#N)cc1 3077516 STFRBCNWDSUSNG-UHFFFAOYSA-N 342.358 2.839 30 40 EFEB CCN1C(=O)/C(=N\N=C2\C(=O)N(CC)c3ccccc32)c2ccccc21 3358852 OCGCAHXIBYVJAU-QGFZOGOGSA-N 346.390 2.613 30 40 EFEB CCc1noc(C)c1C(=O)O[C@@H](C)C(=O)Nc1cccc(C#N)c1 5167750 KDWROSVTEZPGHD-NSHDSACASA-N 327.340 2.601 30 40 EFEB C=CCO[C@@H](C)C(=O)N[C@H](C(=O)OC)c1ccccc1C(F)(F)F 65575232 ASPPIHCQDMMKGI-GWCFXTLKSA-N 345.317 2.627 30 40 EFEB C=CCNC(=O)CN(Cc1ccc(OC(F)F)c(OC)c1)C1CC1 14140668 VAJPXDYNFAKGGI-UHFFFAOYSA-N 340.370 2.563 30 40 EFEB C=CCN1CC[C@@]2(CN(Cc3ccco3)C[C@H]2c2nccs2)C1=O 306132004 KVLIIEJUUGHHAB-YJBOKZPZSA-N 343.452 2.740 30 40 EFEB N#Cc1ccc(NCC[S@@](=O)Cc2ccccc2)c([N+](=O)[O-])c1 71893757 CRZXNKDNVDRPJD-QHCPKHFHSA-N 329.381 2.827 30 40 EFEB N#Cc1ccc(CN2CCS(=O)(=O)C[C@H]2c2ccccc2)c(F)c1 71911998 YNUNJVLFBXKDMB-SFHVURJKSA-N 344.411 2.669 30 40 EFEB Cc1nc2n(n1)[C@@H](c1ccccc1[N+](=O)[O-])C1=C(C[C@@H](C)CC1=O)N2 22608063 PTXSXZYJBXUNTQ-ABKXIKBNSA-N 339.355 2.763 30 40 EFEB Cc1ccccc1N1C(=O)CN(C(=O)C#Cc2ccccc2)C[C@@H]1C 14884609 FMZFHXTWXWYZHC-KRWDZBQOSA-N 332.403 2.610 30 40 EFEB CN(C(=O)CSCC#N)[C@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O 190436835 HEGMUBVEOAIYKE-JSGCOSHPSA-N 345.251 2.667 30 40 EFEB N#Cc1cc(N2CCCN(C3CCOCC3)CC2)c2ccccc2n1 96429539 IDWRWKGUEHQASO-UHFFFAOYSA-N 336.439 2.798 30 40 EFEB N#CCCN(C(=O)Nc1ccc(Cn2ccccc2=O)cc1)C1CC1 96434172 KPHSCKDAAMOQID-UHFFFAOYSA-N 336.395 2.807 30 40 EFEB CC(C)(C#N)C(=O)N1CCO[C@H](c2ccc(Br)cc2)C1 49035814 MOHJNRMCHNCEIS-ZDUSSCGKSA-N 337.217 2.899 30 40 EFEB c1ccc(C/N=C(\NCC[C@@H]2CCCO2)NCc2ccccn2)cc1 75583250 SYAZECUSDHTSKP-IBGZPJMESA-N 338.455 2.886 30 40 EFEB Cc1ccc(CC(=O)N2CCN([C@H](C#N)C3CCCCC3)CC2)cn1 57235468 BUPUUZWGYPCPDQ-LJQANCHMSA-N 340.471 2.549 30 40 EFEB CC1=C/C(=N/NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC(C)(C)C1 4428322 WQVJFQXHHQHFRS-VBKFSLOCSA-N 337.401 2.995 30 40 EFEB CCN(CC)CCC[C@@H](C)NC(=S)N/N=C(\C)c1ccccn1 6274529 JDELQHHBOGXZLZ-DUHXBFFASA-N 335.521 2.780 30 40 EFEB Cc1ccc(NC(=O)C[C@@H]2S/C(=N\Cc3ccco3)NC2=O)cc1 21224269 IVVALVHEOWTMJF-AWEZNQCLSA-N 343.408 2.704 30 40 EFEB Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N1CC[C@H]2CCCC[C@@H]2C1 52895175 XDUZWTSIYHKMOP-HZPDHXFCSA-N 341.455 2.835 30 40 EFEB O=S(=O)(/N=C(\O)CCc1cscn1)c1cccc2cnccc12 78701826 WUZKGJHTSFTDLP-UHFFFAOYSA-N 347.421 2.969 30 40 EFEB COc1ccc(OCCS(=O)(=O)Cc2cccc(C#N)c2)cc1 78758087 XVKGBBUTOWZISP-UHFFFAOYSA-N 331.393 2.561 30 40 EFEB Cc1[nH]c2ccccc2c1/C=N\N1C(=O)[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@H]34)[C@@H]2C1=O 100386591 IKZCSAPFNLJAJB-LBWMHUJISA-N 345.402 2.863 30 40 EFEB CN(CCc1nccs1)[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O 97048494 WPDNRICLNQKONF-MRXNPFEDSA-N 340.452 2.685 30 40 EFEB C#CCN(Cc1ccc(F)cc1)C(=O)c1ccc(Cn2cncn2)cc1 58283045 QSLZHCUPYBNKNF-UHFFFAOYSA-N 348.381 2.741 30 40 EFEB C[C@H]1CN(c2ccc(CNCc3ccc(C#N)cc3)cn2)C[C@H](C)O1 48713425 AEJYQJSBFODXBM-HOTGVXAUSA-N 336.439 2.857 30 40 EFEB C[C@@H]1CC(=O)c2c(OCC(=O)NC3(C#N)CCCC3)ccc(F)c21 8748017 NNBHFXLUGNKJBP-LLVKDONJSA-N 330.359 2.847 30 40 EFEB N#Cc1ccc(/C=C2\CS(=O)(=O)c3c(F)cccc3C2=O)cc1 96925156 HLNHQLXFXQMPLP-MDWZMJQESA-N 327.336 2.751 30 40 EFEB Cc1cc(F)c(C(=O)N2CCc3c(sc(N)c3C#N)C2)cc1F 89735382 MFFSOQDGNHQMAS-UHFFFAOYSA-N 333.363 2.987 30 40 EFEB Cc1cccc(N=C[C@H]2C(=O)NC(=O)N([C@@H]3C[C@H]4CC[C@H]3C4)C2=O)c1 408527367 NKPXGNQJHOPWCJ-DARAHFNDSA-N 339.395 2.581 30 40 EFEB C#CCOc1ccc(/C=C2/C(=O)N(CC)C(=S)N2C)cc1Cl 409050568 XCBMIHCCLOILBE-RAXLEYEMSA-N 334.828 2.772 30 40 EFEB C#CCOc1ccc(NC(=O)N[C@H]2CCC[C@H]([S@](=O)CC)C2)cc1 78577754 FHNJETLKEHLXLI-IIOOSLMMSA-N 348.468 2.900 30 40 EFEB N#C[C@@]1(c2ccccn2)CCCN(C(=O)c2noc3c2CCCC3)C1 606445963 NHESBRDISVMQKF-IBGZPJMESA-N 336.395 2.646 30 40 EFEB N#CCCn1ncc2c(N3CCC[C@@H]3Cc3ccccc3)ncnc21 65519975 KZAVBGATQCSYOW-MRXNPFEDSA-N 332.411 2.951 30 40 EFEB C[C@@H]([C@@H]1C[C@H]2CC[C@H]1C2)N1CC(=O)C(c2nc3ccccc3[nH]2)=C1N 102281959 NIVUXOQOVIGZAB-XUXIUFHCSA-N 336.439 2.900 30 40 EFEB CN(/N=C/c1ccc(Cl)cc1)C1=NS(=O)(=O)c2ccccc21 49425 ZQKAJTXYMXLPJR-LICLKQGHSA-N 333.800 2.755 30 40 EFEB CC(C)(C)c1noc(CN2CCN(Cc3ccc(C#N)cc3)CC2)n1 22956038 SYJYNUKLIHDQKY-UHFFFAOYSA-N 339.443 2.557 30 40 EFEB CO[C@H](C)/C(O)=N/S(=O)(=O)c1ccc(F)c(C(F)(F)F)c1 78796538 DPZKAGVHRKZACQ-ZCFIWIBFSA-N 329.271 2.525 30 40 EFEB Cc1cccc(N2CCN(C(=O)COc3ccccc3C#N)CC2)c1 12543572 NYCWPNOULQKYDW-UHFFFAOYSA-N 335.407 2.594 30 40 EFEB C=CCNC(=S)NNC(=S)Nc1cccc(C(F)(F)F)c1 9189538 SFOYZGFKQVYQHN-UHFFFAOYSA-N 334.392 2.557 30 40 EFEB C[C@]1(C(=O)NC(=S)Nc2ccccc2C#N)CC1(Cl)Cl 3258901 RZXIPUDWKDPPBQ-GFCCVEGCSA-N 328.224 2.955 30 40 EFEB N#Cc1ccc(NC(=O)COC(=O)Cc2ccc(Cl)cc2)cc1 3308511 OGADAYBNAGWHEY-UHFFFAOYSA-N 328.755 2.936 30 40 EFEB O/C(Cc1ccc(-n2cccn2)cc1)=N\c1nc(-c2ccccn2)n[nH]1 48302446 NIHIZCLACIGQDM-UHFFFAOYSA-N 345.366 2.883 30 40 EFEB CC(C)[C@@](C)(C#N)NC(=O)COC(=O)c1ccccc1C(F)(F)F 3535160 WEHGXGWYMQQBCD-OAHLLOKOSA-N 342.317 2.917 30 40 EFEB CON/C=N\C(=O)c1c(OC)ccnc1Oc1ccc(Cl)cc1 13144277 LSDTYEWBYNLNKO-UHFFFAOYSA-N 335.747 2.855 30 40 EFEB CCNC(=S)N/N=C/c1c(C)nn(-c2ccc(C)cc2)c1Cl 13146319 CUMRZWQKTZRDJM-GIJQJNRQSA-N 335.864 2.960 30 40 EFEB CC[C@@H](C)Oc1cc(C)ccc1CN/C(=N/C)NCC1(C)COC1 97021948 AFYGJBQLFZFGTQ-OAHLLOKOSA-N 333.476 2.874 30 40 EFEB N#C[C@H](C(=O)NC1CC1)C(=O)[C@@H]1C[C@@H]1c1cccc(C(F)(F)F)c1 110585882 SOACJDFEQJYOHK-MCIONIFRSA-N 336.313 2.796 30 40 EFEB C=CCCO[C@@H](C)C(=O)NCc1nc(-c2ccc(Cl)cc2)no1 72286048 WRQIOUSIKDKFQN-NSHDSACASA-N 335.791 2.987 30 40 EFEB Cc1cc(C)c(C#N)c(S[C@@H](C)C(=O)NC(=O)NCC(C)C)n1 14131397 KJPZINGJOJLISM-LBPRGKRZSA-N 334.445 2.533 30 40 EFEB N#CC1(C#N)C(C#N)(C#N)C12C(=O)N(Cc1ccccc1)c1ccccc12 4776639 SJTGMJANHDWXIX-UHFFFAOYSA-N 349.353 2.552 30 40 EFEB Cc1nnc([C@@H](C)N2CCCN(Cc3ccc(C#N)cc3)CC2)o1 71819430 IEUMKUQOAVYORI-CQSZACIVSA-N 325.416 2.519 30 40 EFEB N#Cc1cccc(S(=O)(=O)Nc2nnc(CC3CCCC3)s2)c1 89780771 RBLVCNMNWSOCGC-UHFFFAOYSA-N 348.453 2.943 30 40 EFEB Cc1ccccc1NC(=O)C[C@H]1S/C(=N\Cc2ccco2)NC1=O 21224356 VJWWPBKHHDCGRA-CQSZACIVSA-N 343.408 2.704 30 40 EFEB C=CCc1cc(/C=C2\SC(=O)N(C)C2=O)ccc1OCC(=O)OC 408816645 LYFNEBPCVCWXKX-ZROIWOOFSA-N 347.392 2.633 30 40 EFEB Cc1ccc(N2CCC[C@H](NCc3cn4ccccc4c3C#N)C2)nn1 69846407 LLUGSBXEADSGSM-KRWDZBQOSA-N 346.438 2.668 30 40 EFEB C/C(=N/NS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(C)cc1 17284228 YFSVTQHHCWZFMB-VBKFSLOCSA-N 333.369 2.606 30 40 EFEB C[C@@]1(C(=O)OCC(=O)Nc2ccccc2C#N)CC1(Cl)Cl 3279776 JCRBZQADAXYRGB-ZDUSSCGKSA-N 327.167 2.624 30 40 EFEB O=S(=O)(/N=C(\O)c1cccc2cn[nH]c12)c1ccc(Cl)cc1 48417844 AAYBNHOMAOTGEI-UHFFFAOYSA-N 335.772 2.910 30 40 EFEB O=C(O)COc1ccc(/C=C/C(=O)c2ccc([N+](=O)[O-])cc2)cc1 16405773 RCKDIFRIFWZYAM-XCVCLJGOSA-N 327.292 2.954 30 40 EFEB CCOC(=O)c1cnn([C@H]2CCCN(Cc3cc(C#N)cs3)C2)c1 97051918 LQGYDPVZRIWWDQ-HNNXBMFYSA-N 344.440 2.830 30 40 EFEB CCOC(=O)c1cc(C#N)c(S[C@@H](C)C(=O)N2CCCC2)nc1C 8735239 IFAHMIYKQNIESA-LBPRGKRZSA-N 347.440 2.541 30 40 EFEB N#Cc1ccc(NC(=O)NCC[S@](=O)Cc2ccccc2)cc1 69698302 KVJGVAYGXFQKOB-HSZRJFAPSA-N 327.409 2.629 30 40 EFEB CC(C)CNC(=O)N1CCC[C@@H](CC(=O)[C@H](C#N)c2ccccn2)C1 96422137 JWRHPOKLSCTLGG-JKSUJKDBSA-N 342.443 2.726 30 40 EFEB CC(C)N(C)Cc1cncc2c1CCN(C(=O)c1cccc(C#N)c1)C2 96189468 XYWCEMVVDFJISF-UHFFFAOYSA-N 348.450 2.992 30 40 EFEB C/N=C(/NCc1cccc(NC(=O)C(C)C)c1)NCc1ccccn1 75583221 MHHANOQSLGYRTI-UHFFFAOYSA-N 339.443 2.541 30 40 EFEB CC1(c2cccc([C@H]3CCC4(C=CC3=O)OCCO4)c2)OCCO1 5741801 SEBJLTAXUNJIRE-MRXNPFEDSA-N 330.380 2.652 30 40 EFEB COc1ccc(C(=O)C2=C(O)C(=O)N[C@@H]2c2ccccc2F)cc1 17014331 UPUNWXKGXNBTIE-OAHLLOKOSA-N 327.311 2.700 30 40 EFEB CCN(C[C@H](C)C#N)S(=O)(=O)c1ccccc1Br 40691214 DYLDVLACKRXSIR-SNVBAGLBSA-N 331.235 2.619 30 40 EFEB CCc1nnc(S)n1/N=C/c1c(C)nn(-c2ccccc2)c1C 20986798 CJTIYUGDUFTSQC-LICLKQGHSA-N 326.429 2.814 30 40 EFEB COc1ccc(C(=O)N[C@H](C#N)c2ccc(F)cc2F)c(OC)c1 79352437 BEQZSUGSBVPWDR-OAHLLOKOSA-N 332.306 2.977 30 40 EFEB CCCCC[C@H](C)NC(=O)CSc1nc(N)c(C#N)cc1C#N 23584648 MOHMYOBSKDJEIB-NSHDSACASA-N 331.445 2.584 30 40 EFEB O=C(/C=N/OCCOc1ccccc1F)Nc1cccc([N+](=O)[O-])c1 3378704 DMSBZBCEHUAWAJ-WOJGMQOQSA-N 347.302 2.754 30 40 EFEB CN(Cc1nc2ccccc2c(=O)[nH]1)Cc1cn2ccccc2c1C#N 12871916 BZRRBLNPBYYPDF-UHFFFAOYSA-N 343.390 2.679 30 40 EFEB Cc1nc(C)c(C(=O)N2CCCN(c3ccccc3C#N)CC2)s1 46849238 XVOIGHCHSBHJTP-UHFFFAOYSA-N 340.452 2.984 30 40 EFEB Cc1ccc(C)c(OCC/C(O)=N/S(=O)(=O)c2cccnc2)c1 48531689 FDEUHDAFBGXQGB-UHFFFAOYSA-N 334.397 2.813 30 40 EFEB C[C@@H](Oc1ccc(F)cc1F)c1ccnc2nc(/N=C/N(C)C)nn12 4084216 PABLIOQQYIEQCK-KTMXNEEYSA-N 346.341 2.764 30 40 EFEB C[C@@H]1CCN(S(=O)(=O)CC#N)[C@@H]1c1ccc(C(F)(F)F)cc1 95439834 PWRMCJFLJGJWNL-MFKMUULPSA-N 332.347 2.942 30 40 EFEB C[C@H](O/N=C/c1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(C#N)cc1 14738504 FYOOWCGCIVUCOU-MKFNJMOCSA-N 338.323 2.844 30 40 EFEB N#Cc1ccc(NC(=O)[C@@H]2CCCN2C(=O)c2cccs2)cc1 6778335 RZGZICHPGCATAM-AWEZNQCLSA-N 325.393 2.863 30 40 EFEB Cc1c(/N=N/c2ccccc2Cl)c(O)n(CCO)c(=O)c1C#N 6796111 FRIGPLRYPJHASO-VHEBQXMUSA-N 332.747 2.795 30 40 EFEB C[C@@H](Cn1cncn1)NCc1cccc(OCc2cccc(C#N)c2)c1 67504731 GSAKUQQRVPTAFI-INIZCTEOSA-N 347.422 2.907 30 40 EFEB CC(C)[C@](C)(C#N)NC(=O)CSc1nnc(C2CC2)n1C1CC1 7903127 LJXYUHURFPRYES-INIZCTEOSA-N 333.461 2.637 30 40 EFEB O=C1CSC(N/N=C/c2ccccc2OCc2ccc(F)cc2)=N1 17086138 LCZCGHKHOCLEOP-DJKKODMXSA-N 343.383 2.958 30 40 EFEB Cc1ccc(NC(=O)CCNC(=O)Nc2cccc(F)c2C#N)nc1 69653552 GTMKFNWZEXZMPY-UHFFFAOYSA-N 341.346 2.551 30 40 EFEB CC(=O)NC[C@@H]1CN(Cc2ccc(-c3ccccc3C#N)cc2)CCO1 71910683 KSJVZUHRSGEUAA-HXUWFJFHSA-N 349.434 2.562 30 40 EFEB Cc1ccc(S(=O)(=O)O[C@H]2CCN(Cc3ccccc3)C2)cc1 95628126 DFFINYKUAYHRBO-KRWDZBQOSA-N 331.437 2.975 30 40 EFEB Cc1ccc(N=C[C@H]2C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)cc1 408526519 CUBXUIQUEFHWPK-INIZCTEOSA-N 335.363 2.905 30 40 EFEB COc1cccc(COc2nn(Cc3ccccc3)c(N)c2C#N)c1 225839066 CQWKEJDHBLNABH-UHFFFAOYSA-N 334.379 2.973 30 40 EFEB C[C@@]1(C#N)CCN(C(=O)c2csc(=Nc3cc(F)cc(F)c3)[nH]2)C1 598420614 QSQFDZPNQLETQC-INIZCTEOSA-N 348.378 2.963 30 40 EFEB C[C@]12CCC(=O)C(OC(=O)c3ccc([N+](=O)[O-])cc3)=C1CCC2=O 5884812 SAYQQKWFZREFGC-KRWDZBQOSA-N 329.308 2.738 30 40 EFEB CCOC(=O)C1=C(N)OC2=C(C(=O)CCC2)[C@H]1c1ccc(C)cc1 4460595 XFXUXGOVHIPUKZ-OAHLLOKOSA-N 327.380 2.849 30 40 EFEB O=C1Nc2ccccc2/C1=N\N=C\c1cc(Cl)cc([N+](=O)[O-])c1O 4979737 UDZHAZXTWWZJJE-REZTVBANSA-N 344.714 2.729 30 40 EFEB C#CCn1/c(=N\C(=O)c2ccnn2C)sc2cc(SC)ccc21 101069354 QENSLSQVAMTPFM-FBMGVBCBSA-N 342.449 2.533 30 40 EFEB N#CC1(C#N)[C@H]2CCCC[C@@]23OC(=N)[C@@]1(C#N)[C@@H](c1ccccn1)O3 102681957 NOXTVQOPVZZGHA-DTTOXWODSA-N 333.351 2.590 30 40 EFEB COc1cc(CC(=O)Nc2ccc(C#N)cc2)cc(OC)c1OC 3279119 VPWUQBJCCHQPAB-UHFFFAOYSA-N 326.352 2.765 30 40 EFEB C=CCNC(=O)[C@H](C#N)c1nc2ccccc2nc1N1CCCCCC1 2284927 PAKZMZASZJSLLT-OAHLLOKOSA-N 349.438 2.920 30 40 EFEB N#CCN1CCN(Cc2ccc(Br)c3cccnc23)CC1 97048646 VDSARBINCQZSFB-UHFFFAOYSA-N 345.244 2.638 30 40 EFEB Cc1nc(NS(=O)(=O)c2ccccc2)sc1SCC#N 66253603 RQANXXLISCMTMU-UHFFFAOYSA-N 325.440 2.868 30 40 EFEB N#CCCN1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 66854722 HTZFDZGQIPASFL-UHFFFAOYSA-N 328.294 2.649 30 40 EFEB COc1cc(C#N)ccc1OCC(=O)N1CC[C@H]2CCCC[C@H]2C1 7017269 SXTLVHGZOIWAHI-CVEARBPZSA-N 328.412 2.984 30 40 EFEB Cc1nnc2ccc(C(=O)N(Cc3ccc(C#N)cc3)C(C)C)cn12 69392813 SZCYGESCZILVJQ-UHFFFAOYSA-N 333.395 2.960 30 40 EFEB CC(C)=N/N=C1/NC(=O)[C@H](CC(=O)Nc2cc(C)cc(C)c2)S1 8575396 NWQRNWOGSAYLGO-ZDUSSCGKSA-N 332.429 2.615 30 40 EFEB O=C1CC[C@@]2(c3ccc(F)cc3)SC[C@@H](/C(O)=N/n3cccc3)N12 85446970 FCVPYCAGYOUGOG-YOEHRIQHSA-N 345.399 2.938 30 40 EFEB COc1cc(/C=N/N=c2\[nH]c3ccccc3s2)cc([N+](=O)[O-])c1O 36287804 KSZAFFRWOCWNFB-LZYBPNLTSA-N 344.352 2.787 30 40 EFEB C=CCN1CCC[C@]12CCCN(S(=O)(=O)c1cccc(F)c1)C2 96214819 VOYDWUSWIKSHQL-QGZVFWFLSA-N 338.448 2.631 30 40 EFEB C[C@@H](C#N)CNC(=O)Nc1cccc(OCCN2CCCCC2)c1 95410916 MBYGXQDPYAUEPM-HNNXBMFYSA-N 330.432 2.832 30 40 EFEB C=CCN(C(=S)Nc1ccc(C)cc1)[C@@]1(C)CCS(=O)(=O)C1 575419899 AIXZYIMETKIACY-INIZCTEOSA-N 338.498 2.757 30 40 EFEB C=C(C)CN(CC)C(=O)C(=O)Nc1cccc(Br)c1 154702828 ZFQJDBQXYZKMIN-UHFFFAOYSA-N 325.206 2.812 30 40 EFEB CC(C)c1noc(CN2CCN(Cc3ccc(C#N)cc3F)CC2)n1 30693763 MKKALGDNNMSCDV-UHFFFAOYSA-N 343.406 2.522 30 40 EFEB C[C@@H](C(=O)Nc1cccc(C#N)c1)N1CCN(Cc2ccccc2)CC1 21822264 KYXXOABMPHIYGD-KRWDZBQOSA-N 348.450 2.703 30 40 EFEB COCc1cccc(C(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)c1 79310011 ZNUPAFAOSIXTFA-FQEVSTJZSA-N 349.434 2.683 30 40 EFEB C[C@H]1CN(C[C@H]2CCCN2C(=O)Nc2cccc(C#N)c2)C[C@@H](C)O1 106144240 SYPSXSGKQUTWJB-RVKKMQEKSA-N 342.443 2.664 30 40 EFEB Cc1ccc2c(c1)C(=O)N([C@H](C)C(=O)OCc1ccccc1C#N)C2=O 25082582 LFPRQWOKOANTSM-CYBMUJFWSA-N 348.358 2.595 30 40 EFEB CCOc1cccc2c1OCC(C(=O)N(CCC#N)CCC#N)=C2 58283101 NZBNMDJDECWODG-UHFFFAOYSA-N 325.368 2.517 30 40 EFEB O=C1[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@H]34)[C@H]2C(=O)N1/N=C/c1c[nH]c2ccccc12 100228397 KHLAISZHHLNBQU-NBSRDDMPSA-N 331.375 2.555 30 40 EFEB CCOCCN1CCN(C(=O)Nc2ccc(CC#N)cc2)C[C@H]1CC 97164628 WNMKACMYAFMLNR-GOSISDBHSA-N 344.459 2.717 30 40 EFEB CCc1nnc(NCc2ccc(C(=O)NC3CC3)cc2)c(C#N)c1CC 97227737 DAOJUIXOHZNBAZ-UHFFFAOYSA-N 349.438 2.977 30 40 EFEB COc1cc(/C=N/Nc2ccc(C(=O)O)cc2)cc(OC)c1OC 5531269 LRAQUOUTPLKULV-VCHYOVAHSA-N 330.340 2.857 30 40 EFEB O=c1c2ccccc2[nH]c(=S)n1/N=C/c1cccc([N+](=O)[O-])c1 9482394 MKGKAUFNNJKGNC-CXUHLZMHSA-N 326.337 2.849 30 40 EFEB N#C[C@@H](NC(=O)[C@H]1CCOC1)c1ccc(OCc2ccccc2)cc1 69516676 QBZRUEYOFKGOOG-PKOBYXMFSA-N 336.391 2.983 30 40 EFEB N#Cc1ccccc1Cn1cc([C@@H]2OCCN2c2ccc(F)cc2)nn1 216770810 XPAFOYCTMLQMFY-IBGZPJMESA-N 349.369 2.873 30 40 EFEB CCOC[C@]1(C#N)[C@@H](S(=O)(=O)CC)[C@@H]1c1cccc(Cl)c1 218388480 FIHVIQPACHMBLS-KKUMJFAQSA-N 327.833 2.787 30 40 EFEB CN(C)c1ccc([C@H]2CCCN2CCOc2ccccc2C#N)nn1 591626055 IHSNRGZDNXDHEZ-QGZVFWFLSA-N 337.427 2.630 30 40 EFEB CS(=O)(=O)c1cccc(OCc2cn3ccccc3c2C#N)c1 58281917 AHKSRVQTQLERPP-UHFFFAOYSA-N 326.377 2.793 30 40 EFEB C=CCN1C(=O)/C(=C/c2ccc(N3CCOCC3)o2)SC1=S 6022234 PCDHQHAURFJQAG-BENRWUELSA-N 336.438 2.503 30 40 EFEB N#Cc1c(NC(=O)[C@@H]2COc3ccccc3O2)sc2c1CCC2 3269141 RCCMUTOYWJGTIQ-AWEZNQCLSA-N 326.377 2.887 30 40 EFEB C#C[C@]1(O)CC[C@@H]2[C@@H]3C[C@@H]4O[C@@]45C[C@H](O)CC[C@]5(C)[C@H]3CC[C@]21C 4424222 ODMURDDTNPVMMD-AVFZXLMHSA-N 330.468 2.886 30 40 EFEB C=CCN1C(=O)c2ccc(C(=O)N(C)Cc3cccs3)cc2C1=O 31524397 LSKGSOOIOAEGPG-UHFFFAOYSA-N 340.404 2.802 30 40 EFEB N#C[C@@H](C(=O)[C@@H]1CC(=O)N(C2CCCC2)C1)c1nc2ccccc2o1 41544768 WCUWBPVHQRFRFM-OCCSQVGLSA-N 337.379 2.795 30 40 EFEB C=CCOc1ccc(CN[C@@H]2CCN(C(=O)C3CC3)C[C@H]2C)cc1 78898088 XEYKZEDUFODYJM-DNVCBOLYSA-N 328.456 2.988 30 40 EFEB CCOc1ccc(/C=N/N=c2\[nH]n3cnnc3c3ccccc23)cc1 1293513 GPUQJMMVDYTLRI-YBFXNURJSA-N 332.367 2.544 30 40 EFEB COc1ccccc1OCCN1C(=O)/C(=N\O)c2cc(C)ccc21 46085207 DDNINLFARKVNST-ZPHPHTNESA-N 326.352 2.608 30 40 EFEB C=CCOc1ccc(CN(C)S(=O)(=O)c2cccc(C#N)c2)cc1 3442496 UWVLTDZVFRLPEG-UHFFFAOYSA-N 342.420 2.944 30 40 EFEB C=CCn1c(SCC(=O)NC2CC2)nc2sc(C)c(C)c2c1=O 3470668 DQRWIQXTKGKGQB-UHFFFAOYSA-N 349.481 2.632 30 40 EFEB CN1CCN(Cc2ccc(CNCc3ccc(C#N)cc3)cc2)CC1 48783013 AVZDULPQDBETNO-UHFFFAOYSA-N 334.467 2.595 30 40 EFEB COC(=O)/C=C1\S/C(=N\c2ccccn2)N(c2ccccc2)C1=O 5243224 BPPORPUKGGMQNY-OHNCOSGTSA-N 339.376 2.906 30 40 EFEB N#Cc1ccc(NC(=O)[C@@H]2CCCN2C(=O)OCC(F)(F)F)cc1 65567785 VEKGMJHLJNEJDG-LBPRGKRZSA-N 341.289 2.660 30 40 EFEB Cc1cc(NS(=O)(=O)c2ccc3c(c2)CCCC3)n(CCC#N)n1 66247993 PAFGNHGPTIOJDJ-UHFFFAOYSA-N 344.440 2.785 30 40 EFEB N#CCCNC(=O)COC(=O)c1cc(-c2ccco2)nc2ccccc12 7062948 KCNIKXSSXJVPCJ-UHFFFAOYSA-N 349.346 2.681 30 40 EFEB COCc1ccc(C(=O)N2CCN([C@@H](C#N)c3ccccc3)CC2)cc1 16149836 GGYGOOGIDDVBRO-FQEVSTJZSA-N 349.434 2.856 30 40 EFEB Cc1ccc(S(=O)(=O)/N=C(\O)[C@H](C)OC[C@@H]2CCCO2)c(C)c1 69282755 KSUYQQSNOVLBIE-KBPBESRZSA-N 341.429 2.533 30 40 EFEB N#C[C@@H](NC(=O)c1ccc2c(c1)COCO2)c1ccc(F)cc1F 73426085 WANWXDQYJCCMMH-OAHLLOKOSA-N 330.290 2.826 30 40 EFEB CCc1nn(C[C@@H](O)c2ccccc2Cl)c(=O)c(C#N)c1CC 71880163 ZMXSFBDKJAOVDU-MRXNPFEDSA-N 331.803 2.627 30 40 EFEB Cc1ccccc1N=C[C@@H]1C(=O)NC(=O)N([C@H]2C[C@H]3CC[C@H]2C3)C1=O 408527591 OZMKJCUAAJCTGL-AYDFFVQHSA-N 339.395 2.581 30 40 EFEB C[C@]12CC(=O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@@]43C)[C@@H]1CC=C2C(=O)CO 77300860 XGGXLIOJOJRVKD-PKTBXOATSA-N 340.419 2.571 30 40 EFEB in-vitro COC(=O)[C@H](c1cccc(C#N)c1)N1CCC(OCC2CC2)CC1 83216411 APAUEIGNXFLCJU-SFHVURJKSA-N 328.412 2.663 30 40 EFEB Cc1c(CS(C)(=O)=O)cccc1NCCOc1ccc(C#N)cc1 96408697 XPIIXWCKUCTUOU-UHFFFAOYSA-N 344.436 2.902 30 40 EFEB N#Cc1ccc(C(=O)NC[C@@](O)(c2ccsc2)c2ccco2)cc1 253473884 ZLLNWHBTIMGWRX-GOSISDBHSA-N 338.388 2.879 30 40 EFEB CO[C@@H](C)CCOC(C)(C)COS(=O)(=O)c1ccc(C)cc1 255187167 BQWDGVGZKSUAIT-AWEZNQCLSA-N 330.446 2.921 30 40 EFEB Cc1ccc(CN(C)C)cc1NS(=O)(=O)c1cccc(C#N)c1 154045342 DBUMJCRRBANWTF-UHFFFAOYSA-N 329.425 2.729 30 40 EFEB CCCCCCCC(=O)N1CCN(Cc2noc(C3CC3)n2)CC1 101043780 CBDZOYGOIQUQPG-UHFFFAOYSA-N 334.464 2.952 30 40 EFEB C#CCSc1nnc(CC(OC)OC)n1-c1ccc(Cl)cc1 3189662 YGTNQDQPHQPVFB-UHFFFAOYSA-N 337.832 2.807 30 40 EFEB O=[N+]([O-])c1ccc(N/N=C/c2cc(Br)ccc2O)nc1 6615048 ZQIADEYGHBCJQP-GIDUJCDVSA-N 337.133 2.904 30 40 EFEB C=CCOC[C@@]12CCCO[C@H]1CCN(Cc1cccnc1OC)C2 107771362 PBGGRZCRGTXFQM-HKUYNNGSSA-N 332.444 2.664 30 40 EFEB C=CCCO[C@H](C)C(=O)NCc1ccc(OC[C@@H]2CCCO2)cc1 58282434 CGXNKSNLURKCNC-QAPCUYQASA-N 333.428 2.842 30 40 EFEB COC(=O)c1cc(C/N=C(/N)Nc2ccc(C)cc2)ccc1OC 72272496 KSLFQFTZFRNEFA-UHFFFAOYSA-N 327.384 2.717 30 40 EFEB CCCCS(=O)(=O)/N=C(\O)c1cc(C2CC2)n(C(C)(C)C)n1 48556227 CPAWRZRWLOLZQO-UHFFFAOYSA-N 327.450 2.950 30 40 EFEB CCNC(=O)COc1ccc(/C=C2/Oc3cc(O)ccc3C2=O)cc1 96189826 WBBHODFECQYENO-RQZCQDPDSA-N 339.347 2.523 30 40 EFEB N#C[C@H](NC(=O)[C@@H]1C[C@@H]1c1cccnc1)c1cnn(-c2ccccc2)c1 71890189 BOZUXYRDPMMBBI-QRVBRYPASA-N 343.390 2.752 30 40 EFEB C=CCc1cc(CNC(=O)N2CCC[C@H](OC)C2)cc(OC)c1OC 69739720 VOYNJVPQURDUPV-INIZCTEOSA-N 348.443 2.753 30 40 EFEB C#CCOc1ccc(NC(=O)N2CCCN(CC(F)F)CC2)cc1 95980561 AAQDFZOWGDQZOW-UHFFFAOYSA-N 337.370 2.503 30 40 EFEB N#Cc1cc([N+](=O)[O-])cnc1N1CC[C@H](COCc2ccccc2)C1 78465398 XAQSVEHWCPLVBW-HNNXBMFYSA-N 338.367 2.905 30 40 EFEB CN1CCC(Oc2ccc(N=C(O)[C@H]3C[C@H]4CC[C@H]3O4)cn2)CC1 328670655 GQRFDKONWTXREQ-OWCLPIDISA-N 331.416 2.710 30 40 EFEB C=CCOC[C@]12CCCO[C@H]1CCN(C(=O)Cc1cccs1)C2 96039669 LMPIVUKXTLLTTG-FUHWJXTLSA-N 335.469 2.891 30 40 EFEB Cn1cc(-c2cnc(-c3ccccc3)nc2)cc1C(=O)NCCC#N 96037628 IVUGLTGXXZSTCE-UHFFFAOYSA-N 331.379 2.793 30 40 EFEB COc1cc(OC)c(B2OC(C)(C)C(C)(C)O2)cc1Br 642814662 PZMHCUJQCLDWKR-UHFFFAOYSA-N 343.026 2.766 30 40 EFEB CCOCC[C@@H]1CCOC2(C1)CN(C(=O)c1cccc(C#N)c1)C2 575404175 LTAWSIOBGTUTIW-OAHLLOKOSA-N 328.412 2.606 30 40 EFEB CN(C)/C=N/c1cc(C(F)F)c(B2OC(C)(C)C(C)(C)O2)cn1 585669974 IEYABOYVBLVFGY-AWQFTUOYSA-N 325.168 2.540 30 40 EFEB Cc1cc([C@H]2CCCN2C(=O)[C@H](C)Oc2ccccc2C#N)on1 53401945 FDCGPYRZOBLKNU-DZGCQCFKSA-N 325.368 2.986 30 40 EFEB N#Cc1nc(C2CC2)oc1N1CCN(c2cnc3ccccc3n2)CC1 44978693 WBZVQUACNDHXDA-UHFFFAOYSA-N 346.394 2.693 30 40 EFEB N#Cc1cccnc1N1CCO[C@@H](c2noc(-c3ccccc3)n2)C1 95999702 MBAVENULXVZHIY-OAHLLOKOSA-N 333.351 2.581 30 40 EFEB N#CCNC(=O)Cc1csc(-c2ccc(OC(F)(F)F)cc2)n1 11865867 SNCLFDPXAVIVPJ-UHFFFAOYSA-N 341.314 2.891 30 40 EFEB CC(=O)c1ccc(S(=O)(=O)/N=C(\O)c2ccc3c(c2)CCO3)cc1 48472923 PNWOJDXNMHTTIF-UHFFFAOYSA-N 345.376 2.518 30 40 EFEB CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3C[C@H](O)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 118927619 BDQPONLPDKZVNG-SCUQKFFVSA-N 346.467 2.809 30 40 EFEB C/C(=N\N=C1/NC(=O)[C@H](CC(=O)O)S1)C12CC3CC(CC(C3)C1)C2 72433979 PRXGKFOECRVXLF-PKSKUXCISA-N 349.456 2.641 30 40 EFEB C=CCn1nc(-c2cccc(Br)c2)cc(C(=O)O)c1=O 225963371 UKBWTWQVIWLCET-UHFFFAOYSA-N 335.157 2.557 30 40 EFEB C[C@H]1CCCC[C@]12NC(=O)N(Cc1cn3ccccc3c1C#N)C2=O 40040801 AQEQVKRKBIRJKX-DJJJIMSYSA-N 336.395 2.812 30 40 EFEB N#CC1(C(=O)N2Cc3cc(-c4cc[nH]n4)ccc3[C@@H]2c2cnco2)CC1 96087058 MHLHXNOCEIEKAV-QGZVFWFLSA-N 345.362 2.800 30 40 EFEB Cc1cc(C(=O)[C@H](C#N)c2nc(-c3ccncc3)cs2)cc(=O)[nH]1 97370240 LLVIWLVHNOZQIV-ZDUSSCGKSA-N 336.376 2.692 30 40 EFEB CCOC(=O)/C(=N/Nc1ccccc1Cl)N1C[C@H](C)O[C@H](C)C1 3179830 ZLFSWGJKLUHBMU-KQIGDWRDSA-N 339.823 2.738 30 40 EFEB Cc1cc(C)n(-c2nncn2/N=C/c2cccc(Br)c2)n1 6189299 KZHINYRAQJBBSM-CAOOACKPSA-N 345.204 2.725 30 40 EFEB C=C(C)CNC(=O)N1CCCN(C(=O)c2ccc(Cl)cc2)CC1 156581601 PMFVLQFKKGVQLZ-UHFFFAOYSA-N 335.835 2.774 30 40 EFEB N/C(=N\OCC(=O)N1CCCc2ccccc21)c1ccc(Cl)cc1 21585755 GXOGAFBPLDHIKA-UHFFFAOYSA-N 343.814 2.956 30 40 EFEB N#Cc1ccc(/C=C2/CCn3c2nc2cc(C(=O)O)ccc2c3=O)cc1 12504976 NPRJNERRVKNNOW-ZROIWOOFSA-N 343.342 2.911 30 40 EFEB C=C(C)CN1CCC(NC(=O)N(C)C[C@H](C)c2nccs2)CC1 97086237 LDQDUHDIHXKITN-AWEZNQCLSA-N 336.505 2.929 30 40 EFEB CC1=NOC(=O)/C1=C/c1cccc(OS(=O)(=O)c2ccccc2)c1 409084975 YNTDVJAHRZGDCQ-LFIBNONCSA-N 343.360 2.770 30 40 EFEB C=CCSc1nnc(NC(=O)c2cnn(-c3ccccc3)n2)s1 14115853 BWNSCDUTEBHCRL-UHFFFAOYSA-N 344.425 2.649 30 40 EFEB N#Cc1cnc(Nc2ccc(O)c(CN3CCOCC3)c2)c(Cl)c1 71920560 ZPYBZENHASYBFC-UHFFFAOYSA-N 344.802 2.888 30 40 EFEB O=C(Cn1cc(/C=N/c2cccnc2)c2ccccc21)N1CCOCC1 408961249 LSFPCBZEDATERS-WSDLNYQXSA-N 348.406 2.646 30 40 EFEB CC(/N=C(/N)Nc1nc2ccccc2o1)=C1C(=O)CC(C)(C)CC1=O 17146113 HASQMKKXYQWNKO-UHFFFAOYSA-N 340.383 2.787 30 40 EFEB Cn1ncc2c1CCC[C@@H]2NC(=O)CCSc1ccc(C#N)cc1 69515974 LXRYEAWLIDNXQH-INIZCTEOSA-N 340.452 2.968 30 40 EFEB N#CCCn1ncc2c(NCCN3CCCc4ccccc43)ncnc21 97200088 RAAQCZHOFNKGIR-UHFFFAOYSA-N 347.426 2.605 30 40 EFEB COC(=O)[C@@H](CNC(=O)C(C)(C)C#N)Cc1ccc2ccccc2c1 79051465 APTLRARPMRYDKL-QGZVFWFLSA-N 338.407 2.837 30 40 EFEB Cn1cnc2cc(C(=O)[C@H](C#N)c3ccc(C(F)(F)F)cn3)cnc21 195576982 HGFWTTUPYXCXED-LLVKDONJSA-N 345.284 2.872 30 40 EFEB CC[C@H]1CCCCN1c1nn(-c2ccc([N+](=O)[O-])cc2)nc1C#N 256048718 VQERTKJVZDGBAR-LBPRGKRZSA-N 326.360 2.816 30 40 EFEB C#C[C@@]1(O)[C@H]2CCc3cc(OC)ccc3[C@@H]2CC[C@]1(C)C(=O)OC 5029359 RZOOJWWRPOWKMX-RAUXBKROSA-N 328.408 2.679 30 40 EFEB CC/N=C1/S[C@@H](CC(=O)Nc2cccc(C)c2C)C(=O)N1CC 16265589 GMZRKRVUKOWNLJ-YWMAMYRUSA-N 333.457 2.972 30 40 EFEB CCOc1ccccc1C(=O)N1CC[C@H](Oc2cc(C#N)ccn2)C1 238826556 DWXGNAWSGNUVEE-HNNXBMFYSA-N 337.379 2.645 30 40 EFEB C=CCN1CCC[C@@]12CCCN(C(=O)c1c(C)nc3ccccn13)C2 1565554485 SODBQGSQOBCOJP-HXUWFJFHSA-N 338.455 2.899 30 40 EFEB Cn1ccnc1C(=O)[C@@H](C#N)C(=O)c1ccc(N2CCCCC2)cc1 101989492 NRWDZRISQVGWDL-INIZCTEOSA-N 336.395 2.616 30 40 EFEB N#C[C@H](C(=O)NCc1ccco1)C(=O)c1ccc(Br)cc1 103502276 QUTJAWCYXOOKKK-ZDUSSCGKSA-N 347.168 2.681 30 40 EFEB C#CCOc1ccc(C[C@H]2SC(=S)N(CC)C2=O)cc1OCC 6953004 ONGUHCLYONMVKO-OAHLLOKOSA-N 349.477 2.889 30 40 EFEB CC[C@@H](C)/N=C(/N)NC[C@@H](c1ccc(OC)cc1)N1CCCCC1 58171451 MENIUUDJORKZGL-QAPCUYQASA-N 332.492 2.925 30 40 EFEB Cn1ccnc1[C@@H](NC(=O)c1cccc(C#N)c1)c1cccc(F)c1 29080075 VNDXFWDFOLWKQO-KRWDZBQOSA-N 334.354 2.950 30 40 EFEB O=C1[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)N1N=Cc1c(O)ccc2ccccc12 409410005 YEMOVMTVDIMIAD-DSIZOQBWSA-N 332.359 2.686 30 40 EFEB CCCS(=O)(=O)/N=C(\O)Cc1nc(-c2cccs2)oc1C 96416212 XHFYDHJFZMEWED-UHFFFAOYSA-N 328.415 2.950 30 40 EFEB N#Cc1cccc(-c2cnc(CNC(=O)c3onc4c3CCCC4)[nH]2)c1 597401913 NECBZAYEWORMBU-UHFFFAOYSA-N 347.378 2.745 30 40 EFEB N#CCCCOc1cccnc1NC(=O)COc1ccc(C#N)cc1 69617804 NNSZJWJWOOKWQZ-UHFFFAOYSA-N 336.351 2.653 30 40 EFEB O=C(O/N=C1\CCS(=O)(=O)c2sccc21)c1ccc(F)cc1 1393068 HENDMTCYEGNXJM-FOWTUZBSSA-N 339.369 2.626 30 40 EFEB CCCOc1c(Br)cc(/C=N/n2cnnc2)cc1OC 6399770 AOXYGXBGBNVOFH-REZTVBANSA-N 339.193 2.720 30 40 EFEB CCCN(CC(=O)NC(=O)NC1CCCC1)Cc1ccc(C#N)cc1 52825630 BNIKBUFNCFZEJN-UHFFFAOYSA-N 342.443 2.539 30 40 EFEB C[C@@]12CCC(=O)C(OC(=O)c3ccc([N+](=O)[O-])cc3)=C1CCC2=O 1619863 SAYQQKWFZREFGC-QGZVFWFLSA-N 329.308 2.738 30 40 EFEB N#Cc1c(NC[C@@H](O)c2cccc(OC(F)F)c2)nc2ccccn12 97082682 ATEDMCNDYZETJG-CQSZACIVSA-N 344.321 2.953 30 40 EFEB Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)NC1CCCCCC1 24842801 ZFCYOBJBEGVUAS-UHFFFAOYSA-N 339.443 2.989 30 40 EFEB O=C(CO/N=C/c1cccc([N+](=O)[O-])c1)N1CCc2ccccc21 3254559 DXTSTEXPTYBFGR-WOJGMQOQSA-N 325.324 2.535 30 40 EFEB C/C(O)=C1\C(=O)[C@H]2[C@@H]3c4c[nH]c5cccc(c45)C[C@@H]3C(C)(C)N2C1=O 100006436 CNZIQHGDUXRUJS-TYWXYPJRSA-N 336.391 2.828 30 40 EFEB in-vitro O=C1CCCC2=C1[C@@H](c1cc([N+](=O)[O-])ccc1Cl)n1ncnc1N2 5441839 JPIUEIKISYXEON-CQSZACIVSA-N 345.746 2.862 30 40 EFEB N#CCCN(C(=O)COc1ncnc2ccccc12)c1ccccc1 5505821 ZGVDKYXJQUNGSK-UHFFFAOYSA-N 332.363 2.955 30 40 EFEB CCN(CC)c1ccc(/C=N/Nc2ccc([N+](=O)[O-])cn2)c(O)c1 4739623 LDCBTNUWNIPQCW-VCHYOVAHSA-N 329.360 2.988 30 40 EFEB C#CCN1CCC(C(=O)N2CCn3cccc3[C@@H]2c2ccccc2)CC1 67214650 WMXFECGRABBTPT-NRFANRHFSA-N 347.462 2.765 30 40 EFEB Cc1ccc([C@H]2C[C@@H]2C(=O)NCCNc2ncccc2C#N)s1 69366840 AHMQHSPRRWGQFL-KBPBESRZSA-N 326.425 2.655 30 40 EFEB N#CCc1cccc(C(=O)NCc2nc(-c3ccc(F)cc3)n[nH]2)c1 69698006 UHHNJZYFZDBAPJ-UHFFFAOYSA-N 335.342 2.607 30 40 EFEB CCC(=O)N1CCC[C@H]1[C@H]1CCCN1CCOc1ccc(C#N)cc1 69668472 RBCGGIZIDHWPQT-MOPGFXCFSA-N 341.455 2.802 30 40 EFEB COc1ccc(OC)c([C@H]2C3=C(CCCC3=O)Nc3[nH]nc(O)c32)c1 18195555 LRNRSANGZINTIT-AWEZNQCLSA-N 341.367 2.697 30 40 EFEB CCOc1cc(/C=N/NCc2ccc(OC)c(OC)c2)ccc1O 20195802 NZOLRMLDAFBEKU-YBFXNURJSA-N 330.384 2.932 30 40 EFEB Cn1cc(/C=N/N2C(=O)[C@H]3[C@H]4C=C[C@@H](CC4)[C@H]3C2=O)c2ccccc21 409173958 QGCXUSQWQDUSBA-KKSKEVDBSA-N 333.391 2.709 30 40 EFEB CCOC(=O)c1sccc1NC(=O)CSc1ncccc1C#N 71326957 IKDKOXNEZGQEJU-UHFFFAOYSA-N 347.421 2.922 30 40 EFEB N#CC1(C#N)[C@@H](c2cccc(F)c2)[C@H]1S(=O)(=O)c1ccccc1 218369847 OBEVHQPPACZKQZ-JKSUJKDBSA-N 326.352 2.799 30 40 EFEB O=C1[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@@H]34)[C@H]2C(=O)N1/N=C/c1ccccc1Cl 222251606 UZVXTCIYZHORKC-ZFAMJERMSA-N 326.783 2.727 30 40 EFEB COCc1cc(C)nc(N/N=C\c2ccc([N+](=O)[O-])cc2)c1C#N 98087089 AHBPWXZVDFLHFM-NVMNQCDNSA-N 325.328 2.762 30 40 EFEB C=CCN1C[C@@H]2CN(Cc3ccoc3)CCC[C@]2(C(=O)OCC)C1 96055970 HFKWWBJILSKYNI-HKUYNNGSSA-N 332.444 2.543 30 40 EFEB Cc1csc(CN(C)S(=O)(=O)c2ccc(Cl)cc2C#N)n1 96428083 LQHSETDNPGWESE-UHFFFAOYSA-N 341.845 2.797 30 40 EFEB C=CCCC(=O)N1C[C@@H](NC(=O)C(F)(F)F)CC[C@H]1C(F)(F)F 585086063 ICWNTUUZWXOMRV-IUCAKERBSA-N 346.271 2.553 30 40 EFEB Cc1nc(C)n(C[C@H]2CCCN(Cc3cn4ccccc4c3C#N)C2)n1 69820189 MBMGCBJEQNNXRD-KRWDZBQOSA-N 348.454 2.932 30 40 EFEB Cc1ccc(C#N)c(N2CCC(COc3cc(C#N)ccn3)CC2)n1 1889101150 CUCRKGKYAURJND-UHFFFAOYSA-N 333.395 2.824 30 40 EFEB Cc1ccc(C)c(C(=O)NCC2CCN(c3nccnc3C#N)CC2)c1 206601590 SOTXJWBINBPESV-UHFFFAOYSA-N 349.438 2.612 30 40 EFEB COCCCNC(=O)[C@H](C#N)C(=O)c1sc2ccccc2c1C 103259696 BELRIKKWPQQVML-CYBMUJFWSA-N 330.409 2.685 30 40 EFEB N#Cc1cc(F)c(NC[C@@H](O)COc2ccc(F)c(F)c2)c(F)c1 78512345 NZQAGARKWYBPBF-SNVBAGLBSA-N 340.276 2.966 30 40 EFEB O=C1CCCC2=C1[C@@H](c1ccc(Br)cc1)NC(=S)N2 2601612 VNSNMWHUKAGNBJ-CYBMUJFWSA-N 337.242 2.975 30 40 EFEB C/N=C(/NCCc1ccc2c(c1)CCO2)N[C@H](C)c1ccc(C)o1 88791993 PBHGWERXGDFUFP-CQSZACIVSA-N 327.428 2.992 30 40 EFEB Cc1csc([C@H](C#N)C(=O)COC(=O)[C@]2(C)CC2(Cl)Cl)n1 6510262 VJVJEFKEKAUINF-PELKAZGASA-N 347.223 2.755 30 40 EFEB CN1C(=S)SC(C)(C)[C@H]1/[N+]([O-])=C\C=C\c1ccc([N+](=O)[O-])o1 4785330 XLGZOBVJNPYUNM-SUBRXADHSA-N 341.414 2.850 30 40 EFEB CC/N=C1/S[C@H](CC(=O)Nc2cc(C)ccc2C)C(=O)N1CC 7883621 FZQQDFYZVMVFJG-IAFNSTAXSA-N 333.457 2.972 30 40 EFEB O=C1CCCC2=C1[C@@H](c1cccc([N+](=O)[O-])c1)c1c(O)n[nH]c1N2 18195472 CKFURAYIPJFGTC-GFCCVEGCSA-N 326.312 2.588 30 40 EFEB O=C(O)c1cccc(-c2ccc(/C=N\N3C(=O)CSC3=S)o2)c1 409212695 RXMYZNQIOOXDPJ-APSNUPSMSA-N 346.389 2.839 30 40 EFEB C#CCOc1ccc([N+](=O)[O-])cc1/C=N/Nc1nc2ccccc2[nH]1 409181342 BMTUIPPLPQDNHC-WOJGMQOQSA-N 335.323 2.929 30 40 EFEB C=CCN(c1ccccc1OC)S(=O)(=O)c1cccc([N+](=O)[O-])c1 225002359 RYBQDRAZABDWIN-UHFFFAOYSA-N 348.380 2.985 30 40 EFEB OC(=Nc1ccc(OC2CCCC2)nc1)N1CCOCC(F)(F)C1 329558840 LOUAPINKSLRMBH-UHFFFAOYSA-N 341.358 2.916 30 40 EFEB Cc1ccc(C(=O)N[C@H]2CC[C@H](Oc3nccnc3C#N)CC2)cc1 252527624 DAESPMNQTNTNAI-WKILWMFISA-N 336.395 2.777 30 40 EFEB CC(C)/N=c1\ccccn1C(=O)C1CCN(c2ccc(C#N)cn2)CC1 101903562 ZTQQGNLIMGFVHP-FCDQGJHFSA-N 349.438 2.621 30 40 EFEB Cc1c([C@@H](C)NC[C@@H](O)c2ccncc2)cnn1-c1ccc(C#N)cc1 97233942 LTBONSGFEFCRHK-JLTOFOAXSA-N 347.422 2.832 30 40 EFEB COc1ccc([C@@H]2CCN(S(=O)(=O)c3ccccc3C#N)C2)cc1 58180172 FDALSCURDOXJIE-MRXNPFEDSA-N 342.420 2.745 30 40 EFEB Cc1nnc(N2CCC[C@H]2c2nnc3n2CCCCC3)c(C#N)c1C 44978615 MUQRKZUDKZGADW-HNNXBMFYSA-N 337.431 2.625 30 40 EFEB C[C@H](OCc1ccccc1)C(=O)NCCNc1cccc(F)c1C#N 48290859 XJEMPHYPWOSMTJ-AWEZNQCLSA-N 341.386 2.831 30 40 EFEB CC12C3[C@@H]4C5/C(=N/Nc6ccc([N+](=O)[O-])cc6[N+](=O)[O-])C([C@@H]1[C@H]53)[C@@H]42 104280724 XMICSROKPRPLRR-YZZNAKGJSA-N 326.312 2.659 30 40 EFEB N#CCOC(=O)c1nc(-c2cccs2)n(-c2ccc(F)cc2)n1 11367102 CWTHWSIOXPYOHN-UHFFFAOYSA-N 328.328 2.815 30 40 EFEB COc1ccc(CN(C)C(=O)COc2ccc(C#N)cc2)cc1OC 3334573 BORNXZIKMMVVBC-UHFFFAOYSA-N 340.379 2.613 30 40 EFEB C=CCNC(=O)NC(=O)CSc1nc2ccccc2n1CC(C)C 3518221 SIDZMFRWDKJQRJ-UHFFFAOYSA-N 346.456 2.796 30 40 EFEB COc1ccc(N2C[C@H](C(=O)Nc3ccccc3C#N)CC2=O)cc1 5060873 JQCOXEMGLWLODK-CQSZACIVSA-N 335.363 2.558 30 40 EFEB N#CC1(NC(=O)CCc2ccc(Br)cc2)CCOCC1 96451310 PJOVEYSPLSSGMA-UHFFFAOYSA-N 337.217 2.571 30 40 EFEB N#CCC[C@H](C#N)CN1C(=O)N[C@]2(CCCCc3ccccc32)C1=O 24981975 VWMVXQHEIIAREB-KUHUBIRLSA-N 336.395 2.604 30 40 EFEB CC/N=C(/NCCCCc1nc(C)cs1)N(C)Cc1cnn(C)c1 95959839 CVQXUHPUYWKRBK-UHFFFAOYSA-N 348.520 2.605 30 40 EFEB COc1nc(N/C(N)=N/C(=O)c2ccccc2)nc2ccc(C)cc12 15930255 QDUUPAGRUVNEDW-UHFFFAOYSA-N 335.367 2.514 30 40 EFEB CCN1CC[C@@H](NC(=O)C(C)(C)C#N)[C@@H]1c1cc(F)c(F)c(F)c1 97083289 UBLWYIUMKXVTOK-HIFRSBDPSA-N 339.361 2.905 30 40 EFEB CCSc1nc(N2CCOCC2)c2c(c1C#N)CC(C)(C)N(C)C2 19144420 JNZMHFFFQPMHBG-UHFFFAOYSA-N 346.500 2.668 30 40 EFEB N#CCN(CC#N)C(=O)c1cccc(COc2ccc(C#N)cc2)c1 79361674 UZMGSQSBQNXXQC-UHFFFAOYSA-N 330.347 2.627 30 40 EFEB C=C[C@](C)(CC)C(=O)N1CCN(C(=O)c2cccc(OC)c2)CC1 134923709 BBVJZRMOUHUFBG-LJQANCHMSA-N 330.428 2.582 30 40 EFEB N#Cc1cnc2ccccc2c1N1CCC[C@H](C(=O)NCC2CC2)C1 96429189 JFKQFQQSZYMMAU-HNNXBMFYSA-N 334.423 2.849 30 40 EFEB Cc1ccc([C@@H]2[C@@H](S(=O)(=O)c3ccc(C)cc3)[C@@]2(C#N)C=O)cc1 242620193 PXQUULOJWGSJQP-QRVBRYPASA-N 339.416 2.952 30 40 EFEB CCCCCCCCn1c(=O)c2c(nc3oc(C)c(C)n32)n(C)c1=O 96021404 CRPGCOFGFFDANC-UHFFFAOYSA-N 346.431 2.918 30 40 EFEB CCc1nnsc1C(=O)NCC#Cc1cccc(C(F)(F)F)c1 22702238 ABZSXIUXJDFYTF-UHFFFAOYSA-N 339.342 2.901 30 40 EFEB COc1ccc(/C=N\N=C2/NC(=O)[C@H](c3ccccc3)S2)cc1 9189501 OTGUKKVBBVQTHX-GZQZNAIASA-N 325.393 2.989 30 40 EFEB N#Cc1ccc(/C=C/C(=O)N(C[C@@H]2CCCO2)C[C@H]2CCCO2)cc1 58223096 CVIHUMYEMYKKFL-YWYHUBKPSA-N 340.423 2.758 30 40 EFEB Cc1noc(C(C)C)c1/C(O)=N/S(=O)(=O)N1CCc2ccccc21 75128411 NETUTDPVOJUKSZ-UHFFFAOYSA-N 349.412 2.719 30 40 EFEB CCCCOc1ccc(/C=N/Nc2nc(O)nnc2C)cc1OCC 11330456 CCYAUVWBVLQCIE-WOJGMQOQSA-N 345.403 2.909 30 40 EFEB N#Cc1c(F)cccc1S(=O)(=O)N[C@H](c1nccs1)C1CC1 95433241 UUQCBQAKVHWTSD-ZDUSSCGKSA-N 337.401 2.583 30 40 EFEB C=CCSc1nc2c(c(=O)[nH]1)[C@@H](c1ccc(F)cc1)CC(=O)N2 4944200 CMGQNKLOTSNIKO-LLVKDONJSA-N 331.372 2.661 30 40 EFEB COc1ccc(-c2nnc(S)n2N=Cc2ccc(O)c(O)c2)cc1 253616988 NHUXMEHLAZKHRC-UHFFFAOYSA-N 342.380 2.536 30 40 EFEB CCCN(C)C[C@@H]1CCN(C(=O)NCc2ccc(C#N)cc2F)C1 74128029 MCAKDAOXSGSGMV-HNNXBMFYSA-N 332.423 2.571 30 40 EFEB COc1cc([C@H]2C(C(C)=O)=C(C)Nc3ncnn32)ccc1OC(C)C 147771 CXUKJELZIOGKAN-KRWDZBQOSA-N 342.399 2.952 30 40 EFEB N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)[C@H]2CC=CCC2)CC1 24380994 XXEXZIRQFXZNJO-FUHWJXTLSA-N 327.403 2.891 30 40 EFEB N#Cc1cccc(N[C@H]2CO[C@@]3(CCCN(Cc4ccccn4)C3)C2)n1 107730732 LQDCYOSCNOXXFJ-QUCCMNQESA-N 349.438 2.584 30 40 EFEB O=[N+]([O-])c1ccc(/C=N/N2CCN(Cc3ccc(Cl)cc3)CC2)o1 25326331 QAHADONLVXKKFG-WOJGMQOQSA-N 348.790 2.993 30 40 EFEB COc1ccc(/C(O)=C2\C(=O)C(=O)N[C@H]2c2ccc(F)cc2)cc1 102801546 YRLFWACQJHRHTK-IDTYTIONSA-N 327.311 2.544 30 40 EFEB COc1ccc(C[C@@H](C)N(C)CC(=O)NC2(C#N)CCCC2)cc1 65608800 WZXVLUAQEWQUJM-OAHLLOKOSA-N 329.444 2.511 30 40 EFEB C[C@H]1C[C@@H](C)CN(C(=O)NC2CCN(c3ccc(C#N)cn3)CC2)C1 67470276 INVKQDQIYPUNHI-GASCZTMLSA-N 341.459 2.610 30 40 EFEB CN(CCOc1ccccc1)CC(=O)N(C)C1(C#N)CCCCC1 8471317 VAXZHFWJKYNEGU-UHFFFAOYSA-N 329.444 2.682 30 40 EFEB N#Cc1ccc(C(=O)N2C[C@@H](O)C[C@@H]2c2cc(F)ccc2F)cc1 91767242 LZZXIMOWDZDMMG-WMLDXEAASA-N 328.318 2.785 30 40 EFEB COc1cc(C#N)ccc1OCC(=O)Nc1cc(C(C)(C)C)no1 18260276 FDUFPDJCUIMSSY-UHFFFAOYSA-N 329.356 2.870 30 40 EFEB CCOC(=O)c1[nH]c2c(c1C)C(=O)/C(=C/c1cnn(CC)c1)CC2 95395403 LAGZNTWBWJFBIU-MDWZMJQESA-N 327.384 2.929 30 40 EFEB C=CCCO[C@@H](C)C(=O)N1CCC(C(=O)O)(c2ccccc2)CC1 95424103 ZFFQIEVXISAFPD-HNNXBMFYSA-N 331.412 2.613 30 40 EFEB N#Cc1cccc(NC(=O)NCCCNC(=O)c2cccs2)c1 75126290 FBXUKNGUMXSKTI-UHFFFAOYSA-N 328.397 2.561 30 40 EFEB CC1(C)OB(c2cccc([S@](=O)CC(F)(F)F)c2)OC1(C)C 514281033 KNYJTQMCRLEKHS-JOCHJYFZSA-N 334.168 2.656 30 40 EFEB CC(C)N(CC#CCNS(=O)(=O)c1ccc(Cl)cc1)C(C)C 75164549 FTABAJBHYVSQPL-UHFFFAOYSA-N 342.892 2.741 30 40 EFEB CCC(CC)[C@@H]1CCN(/C(=N\C)NCC2CCN(C(C)=O)CC2)C1 86746252 RRUSOSNEXPCVHJ-GOSISDBHSA-N 336.524 2.578 30 40 EFEB Cc1ccc(S(=O)(=O)/N=C2\S/C(=N\C(C)(C)C)N2C)cc1 4265359 YXJISZKDWOTEFU-BNXAACBSSA-N 325.459 2.873 30 40 EFEB CSc1nc(C)cc(N2CCN(Cc3ccc(C#N)cc3)CC2)n1 1888875970 WYSBPFIQYBOGAZ-UHFFFAOYSA-N 339.468 2.701 30 40 EFEB CSc1nc(Oc2ccc(F)cc2)cc(-n2ncc(C#N)c2N)n1 384914 BWZTWUFSQZLTGI-UHFFFAOYSA-N 342.359 2.769 30 40 EFEB N#C[C@H](C(=O)CCCOc1ccccc1F)C(=O)Nc1ccccn1 104055568 AVNVBCWRANGNGO-CYBMUJFWSA-N 341.342 2.727 30 40 EFEB N#Cc1cccc(NC(=O)Cn2cnc3ccc(Cl)cc3c2=O)c1 1098881 OCDOOSNITJEQJO-UHFFFAOYSA-N 338.754 2.560 30 40 EFEB COc1ccc(NC(=O)/C(O)=C/C(=O)c2ccc(OC)cc2)cc1 100761794 BGWCXVKTPNUSFV-BOPFTXTBSA-N 327.336 2.967 30 40 EFEB Cn1ccnc1[C@H](NC(=O)c1cccc(C#N)c1)c1cccc(F)c1 29080078 VNDXFWDFOLWKQO-QGZVFWFLSA-N 334.354 2.950 30 40 EFEB CS(=O)(=O)Oc1ccc2c(c1)O/C(=C\c1cccc(F)c1)C2=O 5180213 QYMNFIRTKKPNBR-NVNXTCNLSA-N 334.324 2.780 30 40 EFEB O=C(/N=C1\NCCS1)[C@H]1C[C@@H]1c1ccccc1Br 65522770 MDDRYIUGKFEPKV-ZJUUUORDSA-N 325.231 2.772 30 40 EFEB CC(=O)N1c2ccccc2C[C@H]1C(=O)[C@@H](C#N)c1nc2ccccc2o1 71855197 QKVRNEQOQJSVEB-PBHICJAKSA-N 345.358 2.982 30 40 EFEB N#Cc1cc([N+](=O)[O-])cn(CCCOc2cccc(Cl)c2)c1=O 71915105 SQOJCOUNFOPEQX-UHFFFAOYSA-N 333.731 2.751 30 40 EFEB N#C[C@@]1(NC(=O)c2ccnc(SCC(F)(F)F)c2)CCSC1 95396105 GSXMXOHHRJORAX-LBPRGKRZSA-N 347.387 2.865 30 40 EFEB COc1ccc(S(=O)(=O)/N=C(\O)c2ccccc2F)cc1OC 95385807 DWYGRJSLSPEIFV-UHFFFAOYSA-N 339.344 2.536 30 40 EFEB C#CCN(Cc1ccc(C)cc1)Cc1csc(CS(C)(=O)=O)n1 75648557 DNKBJDNKBSSLKW-UHFFFAOYSA-N 348.493 2.632 30 40 EFEB N#Cc1cccc(Cn2cc([C@@H]3OCCN3c3ccc(F)cc3)nn2)c1 216770927 RCDKZSSQBPROGZ-IBGZPJMESA-N 349.369 2.873 30 40 EFEB S[C@H]1N=C(c2ccccc2)N2[C@@H](S)N=C(c3ccccc3)N12 31614692 QABJPBWDVZHRSP-HOTGVXAUSA-N 326.450 2.853 30 40 EFEB Cc1cc(C)c(N2CC[C@H](Nc3ccn(CCC#N)n3)C2=O)c(C)c1 190976437 JVZMLIRTLGTDSX-INIZCTEOSA-N 337.427 2.939 30 40 EFEB N#C[C@@H](C(=O)c1ccnn1C1CCCC1)c1nnc2n1CCCCC2 96478768 IKYFBOVTEOWSJV-AWEZNQCLSA-N 338.415 2.806 30 40 EFEB CCO[C@H]1CCC[C@@H]1S(=O)(=O)Oc1ccc(C#N)cc1Cl 1615586810 ZTDQDVLJLJZAET-KBPBESRZSA-N 329.805 2.878 30 40 EFEB C=CCOC(=O)c1sc(NC(=O)c2ccc([N+](=O)[O-])cc2)nc1C 2693416 YUFSBGXUTOPVEN-UHFFFAOYSA-N 347.352 2.955 30 40 EFEB C=C(C)C[C@H]1N(c2ccccc2F)C(=O)[C@H]2[C@@H](C(=O)O)[C@H]3C=C[C@@]21O3 100634574 VSBXQTUZEZYYDS-FDQIELQPSA-N 343.354 2.532 30 40 EFEB N#Cc1cccc(NC(=O)Cn2nnc(-c3ccc(Cl)cc3)n2)c1 3423782 GVQIOZNAFCYJBC-UHFFFAOYSA-N 338.758 2.504 30 40 EFEB Cc1cc(NC(=O)CSc2nc3c(c(C)c2C#N)CCC3)n(C)n1 29450205 PQQYGBLLPMQUBS-UHFFFAOYSA-N 341.440 2.523 30 40 EFEB C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CNCCc4c[nH]cn4)[C@H]3C[C@@H]12 3984919 LIPXWZPIPQPEAZ-BFMVXSJESA-N 343.471 2.856 30 40 EFEB biogenic N#CC1(NC(=O)CSc2nc(-c3ccccc3F)n[nH]2)CCCC1 9447435 QZPGNRZMHOKJBP-UHFFFAOYSA-N 345.403 2.655 30 40 EFEB C=CC[C@H](C)NC(=O)Nc1cccc(S(=O)(=O)NC(C)(C)C)c1 116998818 IKYRKMIDESMNQL-LBPRGKRZSA-N 339.461 2.850 30 40 EFEB Cc1ccc([C@@H]2C[C@H]2C(=O)NCCNc2ncccc2C#N)s1 69366842 AHMQHSPRRWGQFL-ZIAGYGMSSA-N 326.425 2.655 30 40 EFEB C[C@H](NC(=O)NCCN(C)C(=O)OC(C)(C)C)c1ccc(C#N)cc1 71803921 OQJBECLBSXUWNB-ZDUSSCGKSA-N 346.431 2.785 30 40 EFEB CN1CCC2(CCCN2C(=O)CSCc2ccc(C#N)cc2)CC1 95454233 YHIUOQKXMVZHOW-UHFFFAOYSA-N 343.496 2.878 30 40 EFEB N#Cc1ccsc1N1CC[C@@H](Nc2ccc(F)c([N+](=O)[O-])c2)C1=O 95409167 XNQHWATZHFDVJA-GFCCVEGCSA-N 346.343 2.884 30 40 EFEB C=CCOc1ccc(C(=O)N2CCC[C@@H](n3nc(C)nc3C)C2)cc1 72235390 NXOCYFLZYBNJKW-QGZVFWFLSA-N 340.427 2.937 30 40 EFEB CN1C(=S)S[C@](C)(/[N+]([O-])=C\c2cccc([N+](=O)[O-])c2)C1(C)C 39369165 JVHRRIFYMPBRGR-FSEGOYHTSA-N 339.442 2.982 30 40 EFEB C=CCO[C@H]1CCN(C(=O)c2ccc(C)nc2)[C@H]1Cc1cccnc1 96200533 ZXBBBUANFYPQAI-OALUTQOASA-N 337.423 2.813 30 40 EFEB Cc1occc1C(=O)N1CC[C@@]2(CC(=O)N(c3cccc(C#N)c3)C2)C1 96238908 AFWZGBKZGOIHDO-HXUWFJFHSA-N 349.390 2.729 30 40 EFEB CCc1ccc([C@@H]2[C@@H](S(=O)(=O)c3ccc(C)cc3)[C@]2(N)C#N)cc1 242701676 WJAUWXCKIULOMZ-QRVBRYPASA-N 340.448 2.718 30 40 EFEB N#Cc1ccc(N2CCC(Nc3nc4ccccn4c3C#N)CC2)nc1 97238150 JDNMDFSEWRCXJU-UHFFFAOYSA-N 343.394 2.554 30 40 EFEB CC/C(Nc1ccccc1O)=C1\C(=O)CC(C)(C)[C@H](C(=O)OC)C1=O 100157767 VJNKLXMFIFUFRL-QZFKAFNDSA-N 345.395 2.826 30 40 EFEB COc1cc2c(cc1OC)[C@H]1Cc3ccc(C#N)cc3C(=O)N1CC2 338369 WDWNDEFEJZZVHY-QGZVFWFLSA-N 334.375 2.871 30 40 EFEB biogenic,in-vitro COc1cc(OC)cc(C2=N/C(=N\Nc3ccc(F)cc3)C(=O)O2)c1 12418269 WXXSOYBDQQKLHU-QNGOZBTKSA-N 343.314 2.572 30 40 EFEB N#Cc1cc(NCCC(=O)NCc2ccncc2)nc2ccccc12 72290370 RDSPIHZIYKMHOR-UHFFFAOYSA-N 331.379 2.620 30 40 EFEB COc1cccc2c1ccn2C/C(O)=N/c1nc([C@H]2CCCO2)n[nH]1 95480518 MIFRJWMOXJXNJJ-CQSZACIVSA-N 341.371 2.908 30 40 EFEB C=CCOc1ccc(/C=C/C(=O)N(CC)CC(=O)NC(C)C)cc1 12924396 DLFSOCQABLTEPM-FMIVXFBMSA-N 330.428 2.638 30 40 EFEB COc1c2c(cc3c1[C@H](Nc1ccccc1C#N)N(C)CC3)OCO2 4000500 CTFGTJIDRGRBCD-LJQANCHMSA-N 337.379 2.894 30 40 EFEB biogenic CN1C(=S)S[C@@H](/[N+]([O-])=C\C=C\c2ccc([N+](=O)[O-])o2)C1(C)C 4785529 ZBCYQLXJWJSPLI-SUBRXADHSA-N 341.414 2.850 30 40 EFEB Cc1n[nH]c(N/N=C/c2ccc(-c3ccccc3Cl)o2)nc1=O 15015594 RFJDITHRKMCNTL-CAOOACKPSA-N 329.747 2.833 30 40 EFEB O=C1C[C@@H](c2ccco2)CC2=C1[C@@H](c1ccc(O)cc1)n1ncnc1N2 19959860 IMIKMFTYEGJOOP-KPZWWZAWSA-N 348.362 2.992 30 40 EFEB C#CCn1cc(CN(C)Cc2ccc(Br)cc2OC)cn1 97081546 GNLJUERZYUWZKT-UHFFFAOYSA-N 348.244 2.919 30 40 EFEB Cc1cccc2c(C/C(O)=N/S(=O)(=O)c3ccccn3)c[nH]c12 97002753 DKPRJJTZJQRVRQ-UHFFFAOYSA-N 329.381 2.759 30 40 EFEB CCCCCCCNC(=O)[C@@H]1CCCN(c2ncnc3[nH]cnc23)C1 97957204 ITFFIRVBUDBJAQ-CQSZACIVSA-N 344.463 2.656 30 40 EFEB C/N=C(/NCc1nc(C)no1)N(C)Cc1ccc(C(F)(F)F)cc1 73775029 AQFZISVGAGDMEH-UHFFFAOYSA-N 341.337 2.604 30 40 EFEB N#CCCCCS(=O)(=O)N1CCN(CC2CC2)c2ccccc21 74977041 RWUVKOYOBNRNQO-UHFFFAOYSA-N 333.457 2.747 30 40 EFEB N#Cc1ccc(S(=O)(=O)Oc2ccc(-n3cccn3)cc2)cc1 75143618 ZPMCOQWQRMWXRR-UHFFFAOYSA-N 325.349 2.512 30 40 EFEB Cc1c(C#N)c(SC[C@@H]2CCCS(=O)(=O)C2)nc2c1CCC2 225438631 ZITXRIOOVOXZPM-LBPRGKRZSA-N 336.482 2.667 30 40 EFEB CC(C)(C)n1cnnc1S[C@H]1CCN(c2sccc2C#N)C1=O 83092175 SCKAEULWGSVHIN-NSHDSACASA-N 347.469 2.864 30 40 EFEB C=CCOC[C@H]1C[C@H]2[C@@H](C1)OCCN2Cc1ccc2c(c1)OCO2 96082748 WZSSLRDHKPLYIB-XYJFISCASA-N 331.412 2.597 30 40 EFEB C[C@@H](CC#Cc1cccnc1)OC(=O)c1ccc(N2CCNC2=O)cc1 585136060 OIQFZVASEGYTJB-HNNXBMFYSA-N 349.390 2.598 30 40 EFEB COCCN1CCC[C@@]12CCCN(C(=O)c1ccccc1C#N)CC2 585100675 SGJYNWSBHZXXBW-HXUWFJFHSA-N 341.455 2.665 30 40 EFEB CCOc1ccc2c(c1)/C(=N\Nc1cccc(C(=O)O)c1)C(=O)N2 5124128 IRAFWYZYASAPBU-UHFFFAOYSA-N 325.324 2.552 30 40 EFEB CC(C)(C)OC(=O)[C@@H]1C[C@H]1c1cncc(B2OC(C)(C)C(C)(C)O2)c1 202752863 RVDKFHWVRAVNPH-LSDHHAIUSA-N 345.248 2.826 30 40 EFEB C=CCn1c(C)cc(C(=O)CN2C(=O)NC(CC)(CC)C2=O)c1C 4308247 UPELBBZGAZDESD-UHFFFAOYSA-N 331.416 2.584 30 40 EFEB C#CCNC(=O)CCNC(=O)Nc1ccccc1SC(F)(F)F 50057535 URDONGWNPKSTRC-UHFFFAOYSA-N 345.346 2.560 30 40 EFEB COc1cc([C@@H]2C(C(C)=O)=C(C)Nc3ncnn32)ccc1OC(C)C 147769 CXUKJELZIOGKAN-QGZVFWFLSA-N 342.399 2.952 30 40 EFEB COc1ccc([C@@H]2CCCC[C@H]2OS(C)(=O)=O)c(OC)c1OC 1592171 MVTSVCQPUDYUPN-WCQYABFASA-N 344.429 2.715 30 40 EFEB C=CCn1c(-c2cccs2)nn([C@H]2CC(=O)[C@@H]3OC[C@H]2O3)c1=S 1089957 DBLFEAPCEZCRGX-DRCTWCGVSA-N 349.437 2.584 30 40 EFEB Cc1ccc(-n2nnnc2/C(=C/N(C)C)C(=O)c2cccs2)cc1 6923789 UNYGISOVMWYQLF-SDNWHVSQSA-N 339.424 2.818 30 40 EFEB C/C(=N\OCc1ccc([N+](=O)[O-])cc1)c1sc2ncnn2c1C 1403495 YIDVFEZUHNFUKW-RQZCQDPDSA-N 331.357 2.948 30 40 EFEB C[C@H]1CN(C(=O)C2CCN(c3ccc(C#N)cc3F)CC2)C[C@H](C)O1 58331894 LAZJFAUHCPDXLG-KBPBESRZSA-N 345.418 2.550 30 40 EFEB Cc1nc(CN(C)C(=O)Nc2cccc(C#Cc3ccccn3)c2)no1 96004855 LYCUSTUBFSOKDR-UHFFFAOYSA-N 347.378 2.837 30 40 EFEB CN(/N=C/C=C/c1ccccc1)C1=NS(=O)(=O)c2ccccc21 4307355 KHKGXAWBKTZWLA-CVUDBVLYSA-N 325.393 2.767 30 40 EFEB C=CCNC(=O)[C@H](C)OC(=O)c1ccc(OCC(C)C)c(OCC)c1 7833838 XTDARSWGQHZWGP-AWEZNQCLSA-N 349.427 2.968 30 40 EFEB CC(C)Oc1ccc(C#N)cc1NC(=O)N[C@@H](C)C(=O)NC(C)(C)C 70039518 BZBQKCPFEYSZIO-LBPRGKRZSA-N 346.431 2.770 30 40 EFEB COc1ccc(/C=N/NCc2ccc(OC)c(OC)c2)c(OC)c1 20195986 XNSOWZYHLVPOFB-UDWIEESQSA-N 330.384 2.845 30 40 EFEB Cc1cc(C2=NN/C(=N\C3CC3)SC2)c(C)n1C[C@@H]1CCCO1 8943577 GOQXDQJPLFOFEV-AWEZNQCLSA-N 332.473 2.843 30 40 EFEB CC(C)(C)c1nc(C#N)c(N2CCN(CCc3ccccn3)CC2)o1 72238468 QQJXRAPBRHBQDB-UHFFFAOYSA-N 339.443 2.603 30 40 EFEB Cc1nn(CCC(=O)N(CCC#N)c2ccccc2)c(C)c1[N+](=O)[O-] 78999917 IWSTXPDHSPPLSE-UHFFFAOYSA-N 341.371 2.745 30 40 EFEB Cc1cccc2[nH]cc(CC(=O)Nc3nc4n(c3C#N)CCS4)c12 78789203 LLIJNCSHWJEWAS-UHFFFAOYSA-N 337.408 2.831 30 40 EFEB N#Cc1ccc(F)c(CNC(=O)NCCOc2ncccc2Cl)c1 96473476 DMDZBEHDHTWMCZ-UHFFFAOYSA-N 348.765 2.624 30 40 EFEB C=CCN1CCN(C(=O)c2ccncc2F)Cc2ccc(C)nc21 96199064 VXIYBCUFMXDMAE-UHFFFAOYSA-N 326.375 2.573 30 40 EFEB N#C[C@@H](NC(=O)c1cn(Cc2cccs2)nn1)c1ccccc1F 79988338 ZKCCVPKCEIFCPI-CQSZACIVSA-N 341.371 2.522 30 40 EFEB COc1ccc(CNC(=S)N/N=C/c2ccc([N+](=O)[O-])cc2)cc1 346293 OVGRKJQWQZMEHW-WOJGMQOQSA-N 344.396 2.602 30 40 EFEB Cc1sc2nc(C)n(/N=C/c3ccc(O)cc3O)c(=O)c2c1C 295547 JVNCUAIMNOGJNV-REZTVBANSA-N 329.381 2.677 30 40 EFEB C#CCOc1c(Cl)cc(/C=N/NC(=S)NCC)cc1OCC 6154266 WXYYSZXKKYUQJY-VCHYOVAHSA-N 339.848 2.569 30 40 EFEB N#Cc1ccc(NC(=O)Cn2nc(C(F)(F)F)c3c2CCC3)cc1 303744 JOZMHWLTNWKEBD-UHFFFAOYSA-N 334.301 2.901 30 40 EFEB COc1cccc(C(=O)[C@@H](C#N)C(=O)Nc2ccc(F)cc2)c1OC 103501862 DKYWIDPFQOXNDG-CQSZACIVSA-N 342.326 2.804 30 40 EFEB Cc1cccc(NC[C@H]2CCN(Cc3cnc4ccc(C#N)cn34)C2)n1 92813152 QWOAYZQPAZAQBX-QGZVFWFLSA-N 346.438 2.843 30 40 EFEB CCOC(=O)C1=C(N)OC2=C(C(=O)CCC2)[C@@H]1c1ccc(C)cc1 4460592 XFXUXGOVHIPUKZ-HNNXBMFYSA-N 327.380 2.849 30 40 EFEB CN(Cc1ccc(F)cc1)C(=O)COC(=O)c1ccc(C#N)cc1 6638556 PHIQYJDEPYDKKY-UHFFFAOYSA-N 326.327 2.513 30 40 EFEB Cc1ccc(NCC(=O)N[C@](C)(C#N)C(C)C)cc1C(=O)NC(C)C 66471759 AGEGOYPXACYKAE-LJQANCHMSA-N 344.459 2.600 30 40 EFEB C#CCN(C(=O)CCn1nc(C)c([N+](=O)[O-])c1C)C1CCCCC1 69451623 KJOVIHDXGJMLSS-UHFFFAOYSA-N 332.404 2.593 30 40 EFEB CCc1nnc(Sc2nc(-c3ccncc3)n[nH]2)c(C#N)c1CC 95411907 WSVCPHXLHYZSKI-UHFFFAOYSA-N 337.412 2.804 30 40 EFEB N#C[C@@H](C(=O)c1cscn1)c1nc2cc(Cl)ccc2c(=O)[nH]1 72270922 CBHOPHGTBARQSU-VIFPVBQESA-N 330.756 2.523 30 40 EFEB CC1CCC(N2C[C@H](C(=O)[C@@H](C#N)c3ccccn3)CC2=O)CC1 67001587 OJMYKYVKWPEACL-KNIAUWFNSA-N 325.412 2.685 30 40 EFEB N#Cc1ccc(NC[C@H]2CCN(c3cnc4ccccc4n3)C2)nc1 65474043 FJMSZSBFISAARQ-OAHLLOKOSA-N 330.395 2.835 30 40 EFEB Cc1ccc(OCCN2C(=O)/C(=N\O)c3cc([N+](=O)[O-])ccc32)cc1 46084751 PWMUZPWFEGESDS-VLGSPTGOSA-N 341.323 2.507 30 40 EFEB c1csc(CC/N=C(/NCc2nc(C3CC3)no2)N2CCCC2)c1 96443083 ALIOAFWGZJIEOY-UHFFFAOYSA-N 345.472 2.793 30 40 EFEB N#Cc1cc(C(F)(F)F)ccc1NCCNC(=O)c1cccnc1 96466540 MSSKGWAGQDZPEA-UHFFFAOYSA-N 334.301 2.814 30 40 EFEB CC[C@@H]1CCCCN1c1nn(-c2ccc([N+](=O)[O-])cc2)nc1C#N 256048717 VQERTKJVZDGBAR-GFCCVEGCSA-N 326.360 2.816 30 40 EFEB Cc1nc2n(n1)[C@H](c1ccc([N+](=O)[O-])cc1)C1=C(C[C@@H](C)CC1=O)N2 14608142 XKKCBXKWRJJXIO-JDNHERCYSA-N 339.355 2.763 30 40 EFEB CC[C@@H](OCCN[C@H](C(N)=O)c1ccc(C#N)cc1)c1ccccc1 593181701 DNWSRBQKNMCBRQ-MOPGFXCFSA-N 337.423 2.842 30 40 EFEB C=CCN1CCOCC2(CCN(C(=O)[C@@]3(C)CC=CCC3)CC2)C1 1614930303 OQMPNPSPSNMPAV-IBGZPJMESA-N 332.488 2.860 30 40 EFEB N#Cc1cccc(OCC(=O)NCc2cccc(CN3CCCC3)c2)c1 52590886 AKFJCXVHBAPWCE-UHFFFAOYSA-N 349.434 2.849 30 40 EFEB C#Cc1cccc(N(C)C(=O)c2cc(OC)c(OC)cc2OC)c1 103032782 GCCZTMRABQWTAZ-UHFFFAOYSA-N 325.364 2.970 30 40 EFEB C#CCOc1ccc(NC(=O)NC[C@@](C)(O)c2ccsc2)cc1 77704484 FKSUWIDQSPZHOG-QGZVFWFLSA-N 330.409 2.789 30 40 EFEB COc1nc2ccccc2nc1[C@H](C#N)S(=O)(=O)c1ccccc1 3137161 KWJCPGWFDAZIJD-HNNXBMFYSA-N 339.376 2.677 30 40 EFEB CC/N=C(/NCCc1cccnc1)NC[C@H]1CCO[C@H]1C(C)(C)C 95963223 NTJBUEYRTPAWNI-IAGOWNOFSA-N 332.492 2.630 30 40 EFEB NC(=O)c1ccccc1NC(=O)C(F)(F)C(F)(F)C(F)(F)F 2309612 FXXJKAANBXQSDH-UHFFFAOYSA-N 332.175 2.557 30 40 EFEB CC[C@H]1CN(C(=O)C(C)C)CC[C@@H]1NCc1ccc(OC)c(C#N)c1 84736297 KGUXUSYLTOJUGY-WMZOPIPTSA-N 343.471 2.940 30 40 EFEB N#Cc1c[nH]c(C(=O)Nc2ccc(-n3nncc3C(F)(F)F)cc2)c1 95407087 BEEFKTRSTIWSSE-UHFFFAOYSA-N 346.272 2.738 30 40 EFEB CC(=O)N1CCC[C@H]1C(=O)N[C@@H](C#N)c1ccc(C(C)(C)C)cc1 95453849 NGGKACAXWDIUTP-IRXDYDNUSA-N 327.428 2.676 30 40 EFEB Cc1nnc(SCC(=O)Nc2sc3c(c2C#N)CCCC3)o1 4998593 GJDBHPPACVPCBO-UHFFFAOYSA-N 334.426 2.921 30 40 EFEB C#CCOc1ccc(N(C)C(=O)c2cnn(-c3ccncc3)c2C)cc1 90560247 KBLVKGDUKNYBKN-UHFFFAOYSA-N 346.390 2.864 30 40 EFEB C=CCN1CNc2c(c(=O)[nH]c(=S)n2-c2cccc(Cl)c2)C1 19939135 QLBWTKNMHDGAIS-UHFFFAOYSA-N 334.832 2.919 30 40 EFEB CCN(CC)C(=O)CSc1nc(O)c(C#N)c(-c2ccccc2)n1 7995177 JYDJFHITOBSFHL-UHFFFAOYSA-N 342.424 2.681 30 40 EFEB C=C(C)CNC(=S)Nc1nc2c(cc1C(=O)OCC)CCCC2 8691075 UAYKOODCZWRVOR-UHFFFAOYSA-N 333.457 3.000 30 40 EFEB CCOc1cc(/C=C2/S/C(=N/C)N(C)C2=O)cc(Cl)c1O 408929244 IPMDIZLFYIYANS-KTWKVWFASA-N 326.805 2.976 30 40 EFEB CC1=C(C(=O)N2CCN(C(=O)C3=C(C)CCC3)[C@@H](C#N)C2)CCC1 585128275 XRCZSUKWPIJLQA-HNNXBMFYSA-N 327.428 2.550 30 40 EFEB N#C[C@@H](C1CCCCC1)N1CCN(C(=O)CCc2nccs2)CC1 57235659 WWCBTONYXFCJCF-INIZCTEOSA-N 346.500 2.692 30 40 EFEB CCn1nc(C)c([C@@H]2C(C(=O)OC)=C(C)NC3=C2C(=O)CCC3)c1C 5728154 PCKJWPDDPIEAOC-GOSISDBHSA-N 343.427 2.661 30 40 EFEB O=S(=O)(/N=C(\O)[C@@H]1C[C@H]1c1ccccc1F)N1CCCCC1 84502105 IONAOWGXQDDYRR-QWHCGFSZSA-N 326.393 2.616 30 40 EFEB N#Cc1cccc(S(=O)(=O)Nc2cccc(Br)n2)c1 35678991 UMPYKMGWJGYZOC-UHFFFAOYSA-N 338.186 2.517 30 40 EFEB Cc1nn(CCC#N)c(C)c1CCC(=O)N1CCO[C@@H]2CCCC[C@H]21 46490299 FJOUHHCUADRQRK-QZTJIDSGSA-N 344.459 2.516 30 40 EFEB N#CCn1c(COC(=O)CCc2ccccc2)nc2ccccc2c1=O 6375550 KIZFXKUJKAMFDM-UHFFFAOYSA-N 347.374 2.596 30 40 EFEB COc1ccc(NC(=O)Cn2cc(Nc3ncccc3C#N)cn2)cc1 301516005 FKQTUBPTRDYEKS-UHFFFAOYSA-N 348.366 2.541 30 40 EFEB C=CCSc1ncc(Cl)c(C(=O)Nc2ccc(C(N)=O)cc2)n1 8916616 SQZAKTLEBCBPCI-UHFFFAOYSA-N 348.815 2.759 30 40 EFEB CN(C)CCN(Cc1cccc(C#N)c1)C(=O)c1ccc2[nH]ncc2c1 89314280 IVILHWASTFRBIN-UHFFFAOYSA-N 347.422 2.639 30 40 EFEB CN(Cc1ccc(C(=O)NC2CC2)cc1)C(=O)c1cc(C#N)cs1 84075082 FDZNVTCWMTVZNA-UHFFFAOYSA-N 339.420 2.784 30 40 EFEB O=C1Nc2ccccc2S(=O)(=O)N1CC#Cc1ccc(Cl)cc1 84583005 DCMOQNYRUSAZPP-UHFFFAOYSA-N 346.795 2.928 30 40 EFEB C=C(C)C[C@H]1N(c2ccc(C)cc2)C(=O)[C@@H]2[C@H](C(=O)O)[C@H]3C=C[C@]21O3 4852392 LCWYHMXNOPUHCS-XFEYQPKCSA-N 339.391 2.701 30 40 EFEB N#C[C@@H](C(=O)NC1CC1)C(=O)[C@H]1C[C@H]1c1cccc(C(F)(F)F)c1 102759711 SOACJDFEQJYOHK-MELADBBJSA-N 336.313 2.796 30 40 EFEB C[C@H]1CN(C(=O)CON=C2c3ccccc3-c3ccccc32)CCO1 10859001 SSHCBBHKMCTLGV-AWEZNQCLSA-N 336.391 2.683 30 40 EFEB Cn1c(CN2CC[C@@H](CNc3ccc(C#N)cn3)C2)nc2ccccc21 65512455 KTIILDPHGXFXJN-INIZCTEOSA-N 346.438 2.774 30 40 EFEB C=CCn1c(C)cc(C(=O)CN2CCN(c3nccs3)CC2)c1C 65593356 SFPJPTNBEFWOCV-UHFFFAOYSA-N 344.484 2.752 30 40 EFEB O=C1Nc2ccccc2/C1=N\NC(=S)Nc1ccccc1Cl 6576250 OCTKAPNTFKBIIO-UHFFFAOYSA-N 330.800 2.983 30 40 EFEB N#Cc1cnc(NCCNC(=O)Cc2ccc(F)cc2)c(Cl)c1 69512096 YDOGMLIEWVFBQY-UHFFFAOYSA-N 332.766 2.517 30 40 EFEB N#Cc1cc(NCc2ccnc(N3CCOCC3)c2)nc2ccccc12 72290329 KFZFTNRWHCJIHK-UHFFFAOYSA-N 345.406 2.950 30 40 EFEB N#Cc1cc(NC(=O)c2ccsc2)ccc1N1CCC(O)CC1 75180795 LOTPIXFXOANTHO-UHFFFAOYSA-N 327.409 2.833 30 40 EFEB CCc1ccc([C@H]2C(C(=O)OC)=C(N)OC3=C2C(=O)CCC3)cc1 409135191 VOGVYUXKKCWJOB-OAHLLOKOSA-N 327.380 2.713 30 40 EFEB CCNC(=S)N/N=C\c1cc(Br)cc(Cl)c1O 409371790 HZUMHQKGGNJIND-RZNTYIFUSA-N 336.642 2.626 30 40 EFEB COC(=O)CSc1ccc2c(c1C#N)C(=O)c1ccccc1C2=O 3845274 JPHVQLRMQKIKKZ-UHFFFAOYSA-N 337.356 2.599 30 40 EFEB biogenic C[S@](=O)CCNC(=O)Nc1ccccc1C#Cc1ccccc1 96446063 PGCLEHDXWZKHSJ-HSZRJFAPSA-N 326.421 2.586 30 40 EFEB O=S(=O)(/N=C(\O)[C@@H]1CCCN1Cc1ccccc1)c1ccccc1 95447834 IEPOKUAPGFLINT-KRWDZBQOSA-N 344.436 2.996 30 40 EFEB N#CCCCCN1CCNC(=O)[C@H]1c1ccccc1C(F)(F)F 96006562 BBEXWNYOXDYFGJ-CQSZACIVSA-N 325.334 2.872 30 40 EFEB CC(C)S(=O)(=O)c1ccc(C(=O)N2CCC[C@H](CC#N)C2)cc1 597913326 KNPZEYNUWCEOJY-CQSZACIVSA-N 334.441 2.635 30 40 EFEB N#Cc1ccc(CNC[C@@H](c2cccc(F)c2)N2CCOCC2)cc1 71834583 LKDFJAPTUBMIQJ-FQEVSTJZSA-N 339.414 2.860 30 40 EFEB CCN1C(=O)/C(=C\C(=O)OC)S/C1=N\c1ccc(F)c(F)c1 18191036 TXBRWVZSUKNUQX-LNUOCBTKSA-N 326.324 2.605 30 40 EFEB N#C[C@H](C(=O)c1ccc(OC(F)(F)F)cc1)C(=O)N1CCCC1 103502662 SOHRYLFWFCFVOC-GFCCVEGCSA-N 326.274 2.530 30 40 EFEB CCc1ccc(/C(O)=N/S(=O)(=O)c2ccc(F)cc2[N+](=O)[O-])o1 79072725 BROBMGMAHXRUOE-UHFFFAOYSA-N 342.304 2.583 30 40 EFEB COC(=O)c1ccc(NC(=S)N(CCC#N)C[C@@H]2CCCO2)cc1 4217847 SJLMNHODUCODJP-HNNXBMFYSA-N 347.440 2.565 30 40 EFEB CC(=O)c1cccc(O[C@H](C)C(=O)[C@H](C#N)c2cc(C)nc(C)n2)c1 58267752 TYXOVUKULYOIQG-CXAGYDPISA-N 337.379 2.940 30 40 EFEB CC/C(Nc1ccc(N)cc1)=C1/C(=O)CC(C)(C)[C@H](C(=O)OC)C1=O 100157920 SIYJZWRSNPISCE-MDJJKAFGSA-N 344.411 2.702 30 40 EFEB CCCCCCCCCCN(CCOCCO)C(=O)/C=C\C(=O)O 100924204 RBQAIQLRSIQVRF-KHPPLWFESA-N 343.464 2.605 30 40 EFEB N#Cc1cccc(CNCc2ccc(N3CCOCC3)c(F)c2)c1 48748770 BOLKBXRRHXNDEQ-UHFFFAOYSA-N 325.387 2.824 30 40 EFEB CCO/N=C/c1ccc(OC)c(Oc2nc(OC)cc(OC)n2)c1 4106783 VETQGMUCQNFNMK-LICLKQGHSA-N 333.344 2.665 30 40 EFEB C[C@@H](Oc1cccc(C#N)c1)C(=O)NCc1cc(F)ccc1[N+](=O)[O-] 65489925 VACSFCKONVNJRJ-LLVKDONJSA-N 343.314 2.689 30 40 EFEB CCCCCCOc1ccc(/C=N/Nc2nc(=O)[nH]nc2C)cc1 4422708 KDCAMIRJZGUDRF-LDADJPATSA-N 329.404 2.878 30 40 EFEB N#Cc1ccc([C@@H]2[C@@H](C(=O)O)CC(=O)N2CCc2ccccc2)cc1 69493755 MHRAEHAOQNBWQS-PKOBYXMFSA-N 334.375 2.775 30 40 EFEB N#Cc1ccc(C(=O)NCC(=O)N(Cc2cccs2)C2CC2)cc1 69462444 UORKLVWMFAPZHV-UHFFFAOYSA-N 339.420 2.541 30 40 EFEB CN(CC(=O)N[C@@H](c1ccccc1)c1ccco1)c1ccc(C#N)cn1 96456285 IUWNZMASJDRARR-FQEVSTJZSA-N 346.390 2.888 30 40 EFEB C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N1CCO[C@@H](Cc2ccccc2)C1 280609848 AEBBKTCEMQIFLK-QYZOEREBSA-N 344.455 2.621 30 40 EFEB N#CCCN(Cc1ccccn1)C(=O)Nc1ccc([N+](=O)[O-])cc1 75105192 YDRKGBGGAJPNCK-UHFFFAOYSA-N 325.328 2.938 30 40 EFEB CC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=N\Nc1ccc(C#N)cc1 13574746 WUSOVFPCMHJUTC-SILNSSARSA-N 348.322 2.657 30 40 EFEB C[C@H]1CCc2c(sc(NC(=O)CN3C[C@H](C)O[C@@H](C)C3)c2C#N)C1 19902711 NGUCHHJHPKUYRS-AVGNSLFASA-N 347.484 2.792 30 40 EFEB C[C@@H](Cc1cccs1)NC(=O)C(=O)Nc1cc(Cl)ccc1C#N 38566310 ZJKPHUWUVSUEOT-JTQLQIEISA-N 347.827 2.959 30 40 EFEB COc1ccc([C@@H]2CCN(S(=O)(=O)c3cccc(C#N)c3)C2)cc1 58180141 CYPKZEXTROZQET-MRXNPFEDSA-N 342.420 2.745 30 40 EFEB N#Cc1cccc(NC(=O)CSc2nncn2-c2ccccc2)c1 3323328 IUTHQKKFSPMOIA-UHFFFAOYSA-N 335.392 2.870 30 40 EFEB C/C(=N\NC(N)=S)c1ccc(NC(=O)c2ccc(F)cc2)cc1 4503157 HURYHTHNBDKPEU-KEBDBYFISA-N 330.388 2.635 30 40 EFEB Cc1csc([C@@H](C#N)C(=O)COC(=O)[C@@]2(C)CC2(Cl)Cl)n1 6510263 VJVJEFKEKAUINF-QPUJVOFHSA-N 347.223 2.755 30 40 EFEB N#C[C@H](C(=O)Cc1ccccc1)c1nc(N)nc(Nc2ccccc2)n1 69570496 PKPJSNNHHRWBSW-OAHLLOKOSA-N 344.378 2.616 30 40 EFEB Cc1c(C(=O)N[C@]2(C#N)CCSC2)cnn1-c1ccccc1Cl 69699523 SYXDCYDVDULKES-INIZCTEOSA-N 346.843 2.963 30 40 EFEB N#Cc1ccc(NC(=O)[C@H]2CC(=O)N(CCc3ccccc3)C2)cc1 8757223 YDTHONBTKGENPE-KRWDZBQOSA-N 333.391 2.588 30 40 EFEB CC1(C)[C@@H]2CC[C@@]13CS(=O)(=O)N(C(=O)c1cccc(C#N)c1)[C@@H]3C2 183812933 BYVYNZQLSWUGKJ-RKVPGOIHSA-N 344.436 2.539 30 40 EFEB C[C@@H](NCCc1ccc(S(C)(=O)=O)cc1)c1cccc(C#N)c1 195550632 LCPAWMZYEPHCCO-CQSZACIVSA-N 328.437 2.855 30 40 EFEB CN(C)CCN(Cc1cccc(C#N)c1)C(=O)c1ccc(F)cc1O 94068037 QDBABYARYIBNHE-UHFFFAOYSA-N 341.386 2.607 30 40 EFEB CC[C@@H]1CCCCN1c1nn(-c2cccc([N+](=O)[O-])c2)nc1C#N 256046892 IRYFABPSPOEBTJ-GFCCVEGCSA-N 326.360 2.816 30 40 EFEB C=CCN1C(=O)/C(=C\c2ccc(O)c(OCC)c2)C(C(=O)OC)=C1C 14009150 TZBTXFBRYCYIMV-UVTDQMKNSA-N 343.379 2.650 30 40 EFEB N#Cc1ccc(N2C[C@@H]3[C@H](CCN3c3nccc4occc34)C2)nc1 1889179524 HGLXYXRAIGTFGN-GDBMZVCRSA-N 331.379 2.810 30 40 EFEB CCN(CC)CCCN1C(=O)C(O)=C(C(C)=O)[C@H]1c1ccccc1 22063550 UGGLAEKPPBRULI-QGZVFWFLSA-N 330.428 2.703 30 40 EFEB Cc1cc(C(=O)N2CCN(c3cc(C#N)ccn3)CC2)sc1C 30936449 OXQRXIKHBUBYHC-UHFFFAOYSA-N 326.425 2.594 30 40 EFEB O=C(O)/C=C1/CN([C@H](C(=O)C2CC2)c2ccccc2F)CC[C@@H]1S 100058477 ZWUQVNSJSJHFPS-UKGUVBINSA-N 349.427 2.861 30 40 EFEB in-vitro COc1ccc(C(=O)/C=C\c2ccc(OCC(=N)N)cc2)cc1OC 104305836 OJHRQGQGFMCKSK-UITAMQMPSA-N 340.379 2.915 30 40 EFEB CCc1ccccc1OC/C(O)=N/S(=O)(=O)c1c(C)noc1C 48490272 VTVAEXHVEIRLMK-UHFFFAOYSA-N 338.385 2.578 30 40 EFEB C[C@](C#N)(NC(=O)CSc1nc2ncc(Cl)cc2[nH]1)C1CC1 9367019 GKEAXVRJBXXQDM-CQSZACIVSA-N 335.820 2.512 30 40 EFEB CS(=O)(=O)Oc1ccc2c(c1)O/C(=C\c1ccc(F)cc1)C2=O 9419135 MWVRCRJLXYPUHO-NVNXTCNLSA-N 334.324 2.780 30 40 EFEB COc1cccc(C[C@@]2(CO)CCCN(c3ncccc3C#N)C2)c1 67965065 TVACVGRENAHDQC-FQEVSTJZSA-N 337.423 2.783 30 40 EFEB Cc1occc1C(=O)N1CCN(c2snc(Cl)c2C#N)CC1 71819385 IKDWBYXQLCUVER-UHFFFAOYSA-N 336.804 2.532 30 40 EFEB N#Cc1ccccc1N1CCCN(C(=O)[C@@H]2C[C@@H]2c2ccco2)CC1 71836395 GJBLYZABEIKAOJ-DLBZAZTESA-N 335.407 2.994 30 40 EFEB N#C[C@H](C(=O)C1CCN(C(=O)c2ccccc2)CC1)c1ccccn1 76089804 VYTNJIWURHTHMM-KRWDZBQOSA-N 333.391 2.810 30 40 EFEB CCOC(=O)c1nc(N(C)C[C@H](C)C#N)ccc1Br 585092507 BDSAALQJWMCIOD-SECBINFHSA-N 326.194 2.617 30 40 EFEB CCOC(=O)[C@H](c1nc(Br)sc1C)N(CC)CC#N 585116818 JNMDPKKGNGWEBN-JTQLQIEISA-N 346.250 2.664 30 40 EFEB Cc1cccc2c(NCCC(=O)NCc3ccncc3)c(C#N)cnc12 95403165 BOIAZUDPLKLLFJ-UHFFFAOYSA-N 345.406 2.928 30 40 EFEB C#CCC1(COC(=O)CCN2C(=O)COc3ccccc32)CCC1 95454241 RFGULYJSTZRTAU-UHFFFAOYSA-N 327.380 2.539 30 40 EFEB CC(=O)c1sc(N/C=C2/C(=O)Oc3ccccc3C2=O)nc1C 104302290 UIOABTPXHKKDAQ-YRNVUSSQSA-N 328.349 2.752 30 40 EFEB COc1ccc2c(c1)[nH]c1c(=O)n(/N=C/c3ccccc3F)cnc12 532534 DWXQTWSPHSKRRC-ZVBGSRNCSA-N 336.326 2.908 30 40 EFEB N#Cc1cc(N2CCN(c3ccncc3Cl)CC2)ccc1[N+](=O)[O-] 167295606 PNCCBHXWMDATHU-UHFFFAOYSA-N 343.774 2.841 30 40 EFEB Cc1cccc(N2CCN(C(=O)COc3ccc(C#N)cc3)C[C@@H]2C)c1 5689705 CWBYAAAATGUUTF-KRWDZBQOSA-N 349.434 2.983 30 40 EFEB C=CCCC(=O)N1CCC(c2nnc3ccc(C4CC4)nn23)CC1 1888850400 JMRGDYBUNRAOBV-UHFFFAOYSA-N 325.416 2.674 30 40 EFEB N=C1C(c2nc3ccccc3[nH]2)=C(O)CN1/N=C/c1ccc(O)cc1 102718395 CAZKGIHFDVJWQZ-RICWVNQTSA-N 333.351 2.865 30 40 EFEB O=C1C(Br)=CC(=NBr)C=C1Br 1762859 UJHGNSOCECCORW-UHFFFAOYSA-N 343.800 2.878 30 40 EFEB C#CCSc1nc2c(c(=O)[nH]1)[C@H](c1ccccc1Cl)CC(=O)N2 4944221 IRXBAENVGJPPNQ-JTQLQIEISA-N 345.811 2.623 30 40 EFEB COCCSC/C(O)=N/S(=O)(=O)c1ccc2ccccc2c1 48408321 NSXHGBIIPIWULS-UHFFFAOYSA-N 339.438 2.865 30 40 EFEB CSc1ccccc1NC(=O)CN(C)C(=O)C#Cc1ccccc1 95430388 JKBUSOXKDSWLTB-UHFFFAOYSA-N 338.432 2.857 30 40 EFEB C=CCSC1=N[C@H]2CS(=O)(=O)C[C@H]2N1c1ccc(Cl)cc1 13736162 HINGMBCZQDGFGH-QWHCGFSZSA-N 342.873 2.601 30 40 EFEB O=C(C#Cc1ccccc1)N1CCc2c(cccc2N2CCOC2=O)C1 81954941 CMHSPRBSHWJYHY-UHFFFAOYSA-N 346.386 2.580 30 40 EFEB CCc1cc(NCC(=O)NC2CC2)n2c(nc3ccccc32)c1C#N 8375592 LWENTVBVSIDCBV-UHFFFAOYSA-N 333.395 2.612 30 40 EFEB C#CCN(Cc1ccccc1Cl)C(=O)c1cnc2c(c1)ncn2C 97050567 PPOCUNOFGIAWGQ-UHFFFAOYSA-N 338.798 2.897 30 40 EFEB N#Cc1ccc(S(=O)(=O)Nc2ccc(-c3ccccc3)nn2)cc1 195576963 AROVOKBEQUNQMD-UHFFFAOYSA-N 336.376 2.816 30 40 EFEB C=C1C(=O)O[C@@H]2CC(C)=C([C@@H](C)CCCO)[C@@H](OC(=O)C(C)C)[C@H]12 198550475 RIFCMNAQMNUNKD-ASTDHERZSA-N 336.428 2.781 30 40 EFEB biogenic,in-vitro Cc1ccc(S(=O)(=O)N/N=C\C2=CC3[C@H]4C=CC2C=C[C@@H]34)cc1 43761763 LRDQQJDNKXYMRI-XPHDOUOMSA-N 326.421 2.804 30 40 EFEB N#Cc1ccc(C(=O)N2CC[C@@H]3O[C@@H](COCC4CC4)CC[C@@H]32)cc1 96205781 YJFQIEFAMFSYHJ-QYZOEREBSA-N 340.423 2.747 30 40 EFEB N#C[C@]1(N)[C@H](c2ccccc2)[C@H]1S(=O)(=O)c1ccc(Cl)cc1 242574955 NLTUKCSWQLISEX-OAGGEKHMSA-N 332.812 2.501 30 40 EFEB C=C(C)C[C@@H](C)C(=O)NCc1nnc2cc(C(F)(F)F)ccn12 585127945 NOUDGVQJIMFMRC-SNVBAGLBSA-N 326.322 2.967 30 40 EFEB N#Cc1ccc(C(=O)N2CC[C@]3(CC(=O)c4ccccc4O3)C2)cc1 96025572 GKCVGRVGVVQFJS-FQEVSTJZSA-N 332.359 2.808 30 40 EFEB COc1ccc(N/N=C(\C(N)=O)c2nc3ccccc3s2)cc1 5513757 ZYNZNEUGFBZOHD-XSFVSMFZSA-N 326.381 2.606 30 40 EFEB N#Cc1cc2c(nc1SCC(=O)NCCc1ccccc1)CCC2 35183 XNSLUMJFTDMQJF-UHFFFAOYSA-N 337.448 2.893 30 40 EFEB COc1ccc(-c2ccc(=O)n(Cc3ccc(C#N)cc3)n2)cc1OC 40267373 AISQICIBLMREOY-UHFFFAOYSA-N 347.374 2.847 30 40 EFEB N#Cc1ccc(OCC(=O)NCCc2c[nH]c3cc(F)ccc23)cc1 50767450 CUVDKKGTTQKLQD-UHFFFAOYSA-N 337.354 2.916 30 40 EFEB CC(C)[C@@H](C#N)N1CCN(C(=O)C/C=C/c2cccc(F)c2)CC1 79018264 RWODGZMJQJAWSP-MJICGBHWSA-N 329.419 2.921 30 40 EFEB CCC/N=C(\O)CN1CCN(Cc2cccc3cccnc23)CC1 44895964 CNVGKLSXGRDAIC-UHFFFAOYSA-N 326.444 2.719 30 40 EFEB Cn1ncc(/N=C/c2ccccc2F)c1C(=O)NCc1ccco1 2798050 ACWAYJPGAZLIHE-DJKKODMXSA-N 326.331 2.833 30 40 EFEB COc1ccc(C(C)=O)cc1COC(=O)COc1ccccc1C#N 8142373 TVUPVSNOEXCCFX-UHFFFAOYSA-N 339.347 2.892 30 40 EFEB C[C@@H](OC[C@@H]1CCCO1)/C(O)=N/S(=O)(=O)c1cccc(Cl)c1 69282954 CPUWALFULUAOEE-PWSUYJOCSA-N 347.820 2.569 30 40 EFEB O=C1Oc2ccccc2C(=O)/C1=C\NCc1nc(-c2ccccc2)no1 1547201059 SUAHHWBZXNTQCQ-GXDHUFHOSA-N 347.330 2.512 30 40 EFEB C=CCOc1ccc(N(CC(=O)O)S(=O)(=O)c2ccccc2)cc1 224679846 FGQBLSYYDOICRH-UHFFFAOYSA-N 347.392 2.531 30 40 EFEB C#CCOCC1CCN(C(=O)c2cc(-c3cccs3)n[nH]2)CC1 49028807 WXBCANLRHCRYBM-UHFFFAOYSA-N 329.425 2.640 30 40 EFEB O=S(=O)(Cc1ccc(Br)cc1)/N=C(\O)c1ccoc1 96442828 VELKYCYMYUBRDJ-UHFFFAOYSA-N 344.186 2.877 30 40 EFEB CNC(=NCC1(c2cccc(C(F)(F)F)c2)CCOCC1)NC 161543379 WYWDGLOGRUMZQV-UHFFFAOYSA-N 329.366 2.548 30 40 EFEB COC(=O)[C@@H]1CCCCN1c1cccc(B2OC(C)(C)C(C)(C)O2)c1 202754576 JTKOEAYXZFXARP-INIZCTEOSA-N 345.248 2.518 30 40 EFEB N#Cc1ccc(OC[C@H](O)CN2CCC[C@H](C(F)(F)F)C2)cc1 36391726 MMUCKABVBYRODB-UONOGXRCSA-N 328.334 2.572 30 40 EFEB N#Cc1ccsc1NC(=O)CCCS(=O)(=O)c1ccccc1 10218359 ZLQGXPBLUVQJOG-UHFFFAOYSA-N 334.422 2.812 30 40 EFEB Cc1cccc(NC(=O)[C@H](C#N)C(=O)CCc2c(C)noc2C)c1 103504102 OLPOZBZUARVAFO-MRXNPFEDSA-N 325.368 2.880 30 40 EFEB N#Cc1ccc(N2CC[C@H](CN3CCOCC3)C2)cc1C(F)(F)F 78405251 RTWIVGOYUHTMPB-CYBMUJFWSA-N 339.361 2.736 30 40 EFEB COc1ccc2cccc(CC(=O)N[C@@]3(C#N)CCSC3)c2c1 95435927 KJOZQONCRZAVFC-GOSISDBHSA-N 326.421 2.906 30 40 EFEB C=CCNC(=O)c1nc(C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)cs1 65523594 VSGCKSLDHBZHCE-UHFFFAOYSA-N 346.368 2.528 30 40 EFEB COc1cc(OC)cc(C(=O)O/N=C(\N)c2ccc(Cl)cc2)c1 4526043 RIPPPRQOJKHRTK-UHFFFAOYSA-N 334.759 2.835 30 40 EFEB N/C(=N\C1CCCC1)SCc1nc2sc3c(c2c(=O)[nH]1)CCC3 7286276 HCILVEHYHYGHAR-UHFFFAOYSA-N 348.497 2.964 30 40 EFEB N#Cc1cccnc1N1CCCN(C(=O)[C@H]2C[C@H]2c2ccccc2)CC1 71824396 VXSUMNNIGUHHLS-OALUTQOASA-N 346.434 2.796 30 40 EFEB C=C(Cl)CN(C(=O)CCn1cncn1)[C@@H]1CCc2ccccc21 69589014 ZSUMJYVKHFGQJD-MRXNPFEDSA-N 330.819 2.937 30 40 EFEB N#Cc1cccc(CN[C@H]2CCCN(Cc3noc(C4CC4)n3)C2)c1 69699884 WWAMHGQMDBEIGY-KRWDZBQOSA-N 337.427 2.573 30 40 EFEB C/N=C(/NCCCCC#N)NCc1cnn(-c2ccc(Cl)cc2)c1 95963171 GJWGSIOVIIDBDC-UHFFFAOYSA-N 344.850 2.885 30 40 EFEB CCCc1n[nH]c([C@H]2CN([C@@H](C)c3ccc(C#N)cc3)CCO2)n1 76049365 RKWIAHISZYOXOL-XJKSGUPXSA-N 325.416 2.763 30 40 EFEB N#C[C@H](C(=O)Nc1ccccc1)C(=O)c1ccn(-c2ccc(F)cc2)n1 128247749 VSTRUEFBBJNPLL-INIZCTEOSA-N 348.337 2.973 30 40 EFEB N#Cc1cccc(NC(=O)CSc2nccn2Cc2ccccn2)c1 79038020 VARKUMJJXCSSLI-UHFFFAOYSA-N 349.419 2.929 30 40 EFEB C=CCOC[C@@]12CCCO[C@H]1CCN(C(=O)Cc1cccs1)C2 96039668 LMPIVUKXTLLTTG-WMZOPIPTSA-N 335.469 2.891 30 40 EFEB Cc1cc(C#N)ccc1S(=O)(=O)N[C@@H](CCCO)c1ccccc1 96483534 OCSRQTOLMCZKJR-KRWDZBQOSA-N 344.436 2.659 30 40 EFEB N#Cc1ccc(SCC(=O)NC[C@H]2CCCO2)cc1C(F)(F)F 96007255 IGNSJDYHJHAXLI-LLVKDONJSA-N 344.358 2.964 30 40 EFEB Cc1cc(/C(O)=C2/C(=O)CC(C)(C)[C@H](c3cc(C)no3)C2=O)on1 12663485 RABDAZTUBMJOTR-SXWSKBOKSA-N 330.340 2.900 30 40 EFEB biogenic Cc1cc(C)c(C#N)c(N2CC(Cn3cc(Br)cn3)C2)n1 1889091759 UKCCSEHLZWVIAA-UHFFFAOYSA-N 346.232 2.666 30 40 EFEB C=CC[C@H]1N(c2ccccc2Cl)C(=O)[C@H]2[C@@H](C(=O)O)[C@H]3C=C[C@@]21O3 100616112 WUUOXQDEXRFYJX-NSIVTLKISA-N 345.782 2.656 30 40 EFEB C=C(C)CN1CCN([C@@H](C(=O)O)c2c[nH]c3cc(F)ccc23)CC1 20738025 AZKJGHZGFIDLOV-QGZVFWFLSA-N 331.391 2.626 30 40 EFEB CCn1nccc1/C(O)=N/S(=O)(=O)c1ccc(C(F)(F)F)cc1 97164008 LZXNULZMOJTWEE-UHFFFAOYSA-N 347.318 2.615 30 40 EFEB C[C@@H](C[C@@H](O)c1ccco1)NC(=O)NCc1cc(C#N)ccc1F 95413558 VLVSEIFBYIINOY-XHDPSFHLSA-N 331.347 2.602 30 40 EFEB Cc1c(C#N)c(NC(=O)CSc2nnc[nH]2)n(C2CCCC2)c1C 9049629 SBIDVXKFIPVYPQ-UHFFFAOYSA-N 344.444 2.941 30 40 EFEB Cn1c(CN2CC[C@H](CNc3ncccc3C#N)C2)nc2ccccc21 65512176 QOMYOMSMEZTTII-OAHLLOKOSA-N 346.438 2.774 30 40 EFEB Cn1c(CN2CC[C@H](CNc3ccc(C#N)cn3)C2)nc2ccccc21 65512451 KTIILDPHGXFXJN-MRXNPFEDSA-N 346.438 2.774 30 40 EFEB C=C(Br)CNC(=O)N1CCO[C@H](c2ccccc2F)C1 67066081 WXXLNFURILLBFU-ZDUSSCGKSA-N 343.196 2.817 30 40 EFEB O=C1CCCC2=C1[C@H](c1ccc([N+](=O)[O-])cc1)c1c(O)n[nH]c1N2 18195471 XYUSCWMVQRYTGV-LBPRGKRZSA-N 326.312 2.588 30 40 EFEB N#Cc1cc(N)ccc1N1CCN(C(=O)c2ccc(Cl)cc2)CC1 70462108 HMLZJYJJHBCFHH-UHFFFAOYSA-N 340.814 2.756 30 40 EFEB C=CCNC(=O)/C(=C/c1cccs1)NC(=O)c1ccc(OC)cc1 225715569 PYBCSQCAJLCBEB-VBKFSLOCSA-N 342.420 2.830 30 40 EFEB C=CCOc1ccc(N(C)S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 225040011 LASPSPJJSHETKL-UHFFFAOYSA-N 348.380 2.985 30 40 EFEB N#Cc1cccnc1NS(=O)(=O)c1ccc(C(F)(F)F)cc1 97101404 MWVLHOSVIIKBEF-UHFFFAOYSA-N 327.287 2.773 30 40 EFEB COC(=O)[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)B1OC(C)(C)C(C)(C)O1 1535645023 OZUZKIPTIWOLBK-MNOVXSKESA-N 343.229 2.535 30 40 EFEB Cc1ccc(C(=O)/C=C2/NC[C@H]3c4ccccc4CCN3C2=O)cc1 34500 KDZSISMXFGYTHQ-GQEMFKIVSA-N 332.403 2.791 30 40 EFEB N#Cc1cn(CC(=O)Nc2ccc3c(c2)OCCO3)c2ccccc12 51319130 HSGBXIRBTQIAEG-UHFFFAOYSA-N 333.347 2.923 30 40 EFEB CC(=O)C1=C(O)C(=O)N(CCCn2ccnc2)[C@@H]1c1ccc(C)cc1 273493 VLADHYIARKSFHO-QGZVFWFLSA-N 339.395 2.566 30 40 EFEB N#Cc1cccc(NC(=O)CN2C(=O)COc3ccc(Cl)cc32)c1 23401070 AQODXNXFIIXHHM-UHFFFAOYSA-N 341.754 2.576 30 40 EFEB CCOC(=O)c1ccsc1NC(=O)COc1cccc(C#N)c1 24779241 MVVNZOXDGFHEIX-UHFFFAOYSA-N 330.365 2.814 30 40 EFEB C#CCN(C(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12)c1nccs1 95443154 WIVAGBFYGLFQMC-UHFFFAOYSA-N 340.364 2.742 30 40 EFEB COC(=O)c1ccc(C)c(S(=O)(=O)Nc2ccc(CC#N)cc2)c1 29967368 LREHTVXMPIWHDU-UHFFFAOYSA-N 344.392 2.649 30 40 EFEB N#Cc1ccccc1N1CCCN(C(=O)c2cc(C3CC3)on2)CC1 60521121 IREWGUJUCWZURW-UHFFFAOYSA-N 336.395 2.776 30 40 EFEB Cc1ccc(N(CCC#N)S(=O)(=O)c2ccc(C#N)cc2)cc1 65590008 YEVSFOFOLBPZAB-UHFFFAOYSA-N 325.393 2.976 30 40 EFEB Cc1cc(C)c2ncc(C#N)c(N3CCC[C@@H](N4CCNC4=O)C3)c2c1 96429259 BYXLBDZDEQWHTQ-MRXNPFEDSA-N 349.438 2.717 30 40 EFEB Cc1ccc(CCC(=O)NCC(=O)[C@H](C#N)c2nc(C)cs2)cc1 71850325 NWBJYAXSANRZQF-HNNXBMFYSA-N 341.436 2.685 30 40 EFEB N#Cc1ccc(N[C@H](CO)Cc2c[nH]c3ccccc23)c([N+](=O)[O-])c1 71922318 TZUWFUKLZZKVCF-AWEZNQCLSA-N 336.351 2.963 30 40 EFEB Cc1ccc(S(=O)(=O)N(CCC#N)C2CCOCC2)c(Cl)c1 69947102 WHADRNNLGJIRKL-UHFFFAOYSA-N 342.848 2.732 30 40 EFEB C=CCN(Cc1cnc(C(C)(C)C)s1)[C@@H]1CCS(=O)(=O)C1 92361520 GKODGMUOOOTQOS-GFCCVEGCSA-N 328.503 2.616 30 40 EFEB CC[C@@H]1CN(C(=O)C(C)C)CC[C@H]1NCc1ccc(OC)c(C#N)c1 84736298 KGUXUSYLTOJUGY-SJLPKXTDSA-N 343.471 2.940 30 40 EFEB CC(C)(Oc1ccc(C#N)cc1)C(=O)NCCCN1CCCCC1 84139869 IGJAWXYFWWZKGM-UHFFFAOYSA-N 329.444 2.708 30 40 EFEB N#Cc1ccc(NCC2CCN(C(=O)[C@H]3Cc4ccccc43)CC2)cn1 1057536792 LEURBAWGSHILPU-FQEVSTJZSA-N 346.434 2.944 30 40 EFEB C=C[C@@](C)(CC)C(=O)N1CCCN(C(=O)c2ccc(OC)cc2)CC1 195574424 LLXCVIMTAUZFTH-FQEVSTJZSA-N 344.455 2.972 30 40 EFEB Cc1ccc(S(=O)(=O)[C@@H]2[C@@H](c3cccc(Cl)c3)[C@]2(N)C#N)cc1 252517042 ZCRDMPIUWDAAEE-BRWVUGGUSA-N 346.839 2.809 30 40 EFEB C=CC[C@@H](CC)NC(=O)Nc1ccc(S(=O)(=O)NC2CC2)cc1 281475851 UXOFQJMOYKDQPX-GFCCVEGCSA-N 337.445 2.604 30 40 EFEB O=[N+]([O-])c1ccc(/C=N/NC(=S)Nc2ccc3cn[nH]c3c2)cc1 13207315 RLBYZJQCCHFAJI-LZYBPNLTSA-N 340.368 2.792 30 40 EFEB CC(/C=C/c1ccccc1)=N/NS(=O)(=O)c1ccc([N+](=O)[O-])cc1 4409380 QJPWWLHVQGVEDY-CLAZAQNWSA-N 345.380 2.962 30 40 EFEB COC(=O)c1sc(NC(=O)c2ccc(OC)cc2)c(C#N)c1C 483517 MBQQAULMDIMLJK-UHFFFAOYSA-N 330.365 2.976 30 40 EFEB O=C(CN1CSCC1=O)Nc1cccc(C#Cc2ccccc2)c1 24987618 UGZSMYGCXOEAMF-UHFFFAOYSA-N 336.416 2.558 30 40 EFEB C=CCOc1ccc(C(=O)N2CCC[C@@H]2[C@@H]2CCCN2C)cc1OC 106661569 DHSAAURSJSQJBG-DLBZAZTESA-N 344.455 2.959 30 40 EFEB C#CCNC(=O)c1ccc(OCc2cc(C)no2)c(Br)c1 58265536 JSYGUMOCEZAPMX-UHFFFAOYSA-N 349.184 2.688 30 40 EFEB Cc1ccc(C(=O)[C@@H](C#N)C(=O)[C@@H]2CCCN(C(=O)C3CC3)C2)s1 102763782 FMCXPDLTMCJRJD-KGLIPLIRSA-N 344.436 2.597 30 40 EFEB N#Cc1ccc(C(=O)OCC(=O)NCc2ccc(Cl)cc2)cc1 3319232 SVMKSJQCSRLCDG-UHFFFAOYSA-N 328.755 2.685 30 40 EFEB CN(C)c1ccc(/C(O)=N/S(=O)(=O)c2cccs2)c(F)c1 95434685 FJSQFJSTRIBITP-UHFFFAOYSA-N 328.390 2.647 30 40 EFEB C=CCn1c(C)nnc1SCC(=O)c1ccc2c(c1)OCCO2 4936384 MPZJZZRNQMWARF-UHFFFAOYSA-N 331.397 2.519 30 40 EFEB N#Cc1nc(CCC2CCCCC2)oc1N1CCC(C(N)=O)CC1 96346576 QTHWJNCVLLSHRS-UHFFFAOYSA-N 330.432 2.761 30 40 EFEB CC(=O)NCCC(=O)N1/C(=N/c2ccccc2C)SCC1(C)C 8036934 QZCAHYORDTXUJB-MNDPQUGUSA-N 333.457 2.863 30 40 EFEB Cc1ccccc1NC(=O)CN1C(=O)CS/C1=C/C(=O)C(C)(C)C 96514068 AKMHDKYYZIYKLE-RQZCQDPDSA-N 346.452 2.966 30 40 EFEB COc1cc(C#N)ccc1Oc1ccc(NC(=O)Cn2cncn2)cc1 69393757 ZXQBMIGPMXHOBJ-UHFFFAOYSA-N 349.350 2.589 30 40 EFEB N#Cc1ccc(Oc2cccc(C(=O)N3CCC[C@@H](C(N)=O)C3)c2)cc1 69458241 VRNOQTMMPDZPRJ-MRXNPFEDSA-N 349.390 2.688 30 40 EFEB CC/N=C1/S/C(=C/c2cc(OC)c3c(c2)OCO3)C(=O)N1CC 408931853 RBKHOJCSTOVHAW-NZOAFPJWSA-N 334.397 2.736 30 40 EFEB N#Cc1nc(-c2ccco2)oc1N1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2 138144825 JAEXOEJRQTUJIF-QWHCGFSZSA-N 348.362 2.592 30 40 EFEB Cn1c(S[C@H]2CCN(c3sccc3C#N)C2=O)nnc1C1CC1 83090668 FCAGKKYVWURUNG-NSHDSACASA-N 345.453 2.523 30 40 EFEB N#Cc1nccnc1N1C[C@H]2CC[C@H]1[C@H]1CN(Cc3ccccc3)C[C@H]21 585091412 FMNAPXGQGKSWKK-XSYGEPLQSA-N 345.450 2.695 30 40 EFEB N#Cc1ccc(Cl)c(C(=O)NC[C@@H]2CCCO[C@H]2c2cc[nH]n2)c1 591689175 ZRQXBKADCBVKGJ-BLLLJJGKSA-N 344.802 2.832 30 40 EFEB Cc1cc(/C(O)=N/S(=O)(=O)c2ccccc2C)ccc1[N+](=O)[O-] 46927942 YOZWINQHYCCNKV-UHFFFAOYSA-N 334.353 2.905 30 40 EFEB CCn1nc(C)c([N+](=O)[O-])c1C(=O)N[C@H](C#N)c1cccc(Cl)c1 95986748 DMFCBTJNIPRHFO-GFCCVEGCSA-N 347.762 2.768 30 40 EFEB O=S(=O)(N/N=C1/C[C@H]2C=CC[C@H]12)c1ccc(Br)cc1 5675210 WHAKSTRHLYVUCR-XZEJSEMASA-N 341.230 2.679 30 40 EFEB C=CCn1nnnc1SCC(=O)Nc1cccc(Cl)c1Cl 11689888 ZESFXNPTAGOOQB-UHFFFAOYSA-N 344.227 2.897 30 40 EFEB N#Cc1c(SCCN2CCCCC2)sc2c(O)cc(=O)[nH]c12 19200259 CWIJIUAFDFEZTD-UHFFFAOYSA-N 335.454 2.745 30 40 EFEB Cc1cc(O)c(C(=O)/C=C/c2ccc3c(c2)CN(C)CC3)c(=O)o1 20411741 FBJXYKDQIQQKHK-GQCTYLIASA-N 325.364 2.538 30 40 EFEB biogenic N#Cc1ccc(NC(=O)CSc2nc(-c3ccco3)n[nH]2)cc1 32873554 BUDPYWUVZSBXGS-UHFFFAOYSA-N 325.353 2.667 30 40 EFEB COc1ccccc1/C=N\N=C1\NC(=O)[C@H](Cc2ccccc2)S1 4866428 KDMKCGBLJQDSSF-JJBLJPBOSA-N 339.420 2.859 30 40 EFEB C#CCSc1nc2c(c(=O)[nH]1)[C@@H](c1ccccc1Cl)CC(=O)N2 4944220 IRXBAENVGJPPNQ-SNVBAGLBSA-N 345.811 2.623 30 40 EFEB COc1ccc([C@@H](C#N)NC(=O)C[C@H](C)n2cccc2)c(OC)c1 95398016 RRNNWJNGZBXPJQ-XJKSGUPXSA-N 327.384 2.837 30 40 EFEB NC(=O)COc1ccc2c(c1)O/C(=C\c1ccc(Cl)cc1)C2=O 9134162 MLOPCOBIJCJLCS-CHHVJCJISA-N 329.739 2.820 30 40 EFEB Cc1ccc(C(=O)N2CSC[C@H]2C(=O)Nc2ccc(C#N)cc2)o1 65548928 SGASLFJUMIXUQP-AWEZNQCLSA-N 341.392 2.614 30 40 EFEB N#CCc1ccc(NC(=O)[C@H]2CC(=O)N(Cc3ccccc3)C2)cc1 14171310 MUJBCYVRASCNGP-KRWDZBQOSA-N 333.391 2.740 30 40 EFEB COc1ccc(C[C@H](C)N(C)CC(=O)N[C@@](C)(C#N)C(C)C)cc1 65608722 JIXPZCCRSLUOQH-KXBFYZLASA-N 331.460 2.612 30 40 EFEB C[C@@H]1CN(CCC(=O)Nc2sc3c(c2C#N)CCC3)C[C@@H](C)O1 19791876 PHBFAWDJEMWJQK-VXGBXAGGSA-N 333.457 2.546 30 40 EFEB CCCCN1C(=O)CC[C@H](C(=O)OCC#N)[C@H]1c1ccc(OC)cc1 8409669 VITFPOZDWTUQPH-FUHWJXTLSA-N 344.411 2.842 30 40 EFEB Cc1nc(C)c([C@@H](C)N(C)C(=O)C(=O)Nc2ccc(C#N)cc2)s1 71883860 ONOJQUVMPQMMCN-LLVKDONJSA-N 342.424 2.790 30 40 EFEB COC(=O)c1ccc(CN2CCC(Oc3ccc(C#N)cc3)CC2)o1 71803069 QDBUTSYFZLYEMI-UHFFFAOYSA-N 340.379 2.981 30 40 EFEB Cc1noc(C)c1C[C@H](C)/C(O)=N/S(=O)(=O)c1ccc(F)cc1 84023144 XVOUNFSNGQVDLI-VIFPVBQESA-N 340.376 2.955 30 40 EFEB COC[C@]1(C#N)[C@H](c2ccccc2)[C@@H]1S(=O)(=O)c1ccccc1 218033881 CVMKHFUHVDGILD-FGTMMUONSA-N 327.405 2.783 30 40 EFEB C=C[C@@H]1OCCC[C@H]1C(=O)N(CC(=O)O)Cc1ccc(Cl)cc1 574394858 XLNXRHDJQQBOSZ-CABCVRRESA-N 337.803 2.734 30 40 EFEB C[C@H](OC(=O)[C@H]1CCCN(C(=O)C2CC2)C1)c1ccc(C#N)cc1 96451148 YOFAKGMYWSYNOV-GUYCJALGSA-N 326.396 2.811 30 40 EFEB CN1C[C@@H](NC(=O)c2cccc(CC#N)c2)CC[C@H]1C(F)(F)F 583620114 ZOHFIKODRRCHMJ-KBPBESRZSA-N 325.334 2.508 30 40 EFEB O=C1CSC(N/N=C/c2ccccc2OCC2=CC[C@@H](F)C=C2)=N1 3255918 QPJSRRDJNPDABQ-FRSZACSASA-N 345.399 2.843 30 40 EFEB N#Cc1ccc(N2CCN(c3ccc(-c4cccs4)nn3)CC2)nc1 1775977954 MEJKRISZHDCLGK-UHFFFAOYSA-N 348.435 2.798 30 40 EFEB C=CCOC(=O)c1ccc(N2CCN(c3ccccc3F)CC2)nc1 20404829 XSOUHBGGBXLOKC-UHFFFAOYSA-N 341.386 2.890 30 40 EFEB COc1c2c(cc3c1[C@@H](C#CC1(O)CCCCC1)N(C)CC3)OCO2 20412179 QKNPQYQRDNBGRV-OAHLLOKOSA-N 343.423 2.652 30 40 EFEB biogenic Cc1ncsc1/C=C/C(=O)c1cccc(OCC(=O)N(C)C)c1 78693896 KWEOBYBSJRQPSI-BQYQJAHWSA-N 330.409 2.815 30 40 EFEB Cc1ccc(NC(=O)C2CC2)cc1NCC(=O)N[C@](C)(C#N)C1CC1 55849423 ZOBWRWNVUQDIOL-LJQANCHMSA-N 340.427 2.564 30 40 EFEB CN(Cc1ccccc1F)C(=O)c1ccc(-n2ncc(C#N)c2N)cc1 66239703 YDBMLSDZRMRXTK-UHFFFAOYSA-N 349.369 2.737 30 40 EFEB N#Cc1ccc(N2CC[C@@H](Nc3ccc(F)c([N+](=O)[O-])c3)C2=O)cc1 84383853 VTICHZMTVXVYJT-OAHLLOKOSA-N 340.314 2.823 30 40 EFEB CN(Cc1ccc(F)cc1C#N)C[C@@H](O)COCc1ccccc1 71907822 YKWIMFZNNUMNFG-LJQANCHMSA-N 328.387 2.707 30 40 EFEB CCN1CCC[C@@H]1[C@@H]1CCCN1C(=O)COc1ccc(CC#N)cc1 69510234 QLCWNFNSHCZHPZ-MOPGFXCFSA-N 341.455 2.607 30 40 EFEB COc1cccc2cc(CNC(=O)C(=O)Nc3ccc(C#N)cc3)oc12 69776547 XJJVSJCRIUHQKY-UHFFFAOYSA-N 349.346 2.568 30 40 EFEB CC/N=C(\NCc1cnn(C)c1)NC[C@@H](C)c1ccc(F)c(F)c1 95963522 XFDIISVHWVFSOE-GFCCVEGCSA-N 335.402 2.557 30 40 EFEB COc1ccccc1-c1nc(C(=O)N[C@]2(C#N)CCSC2)cs1 89483965 IWLKWMNFCHCFHK-INIZCTEOSA-N 345.449 2.948 30 40 EFEB CCS[C@H]1C(C(=O)c2ccc(CC)cc2)=C(CC(=O)O)C(=O)N1C 62716272 ILEWDCGGWVAPMB-SFHVURJKSA-N 347.436 2.754 30 40 EFEB CC(C)(C)C(=O)N1CCC[C@H](C(=O)Nc2cccc(F)c2C#N)C1 78777624 PGZGYPKTFMZBCN-LBPRGKRZSA-N 331.391 2.921 30 40 EFEB CC(=O)NCCNC(=O)Nc1ccc(Oc2ccccc2)c(C#N)c1 189481764 FTWJFCIAOFQYHC-UHFFFAOYSA-N 338.367 2.608 30 40 EFEB Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)c1ccc(CC#N)cc1 225082827 VZFRYUSPLXKOJK-UHFFFAOYSA-N 345.380 2.794 30 40 EFEB C[C@@H]1C[C@H]1/C(O)=N/S(=O)(=O)Cc1ccc(Br)cc1 96442832 HTHGNAXVXAKOFD-LDYMZIIASA-N 332.219 2.891 30 40 EFEB C=CCOC[C@@H]1CC[C@H]2[C@@H]1OCCN2C(=O)c1ccc2[nH]ccc2c1 96082473 SZKJTHAZSIGYHR-YTQUADARSA-N 340.423 2.990 30 40 EFEB COCc1cc(C#N)ccc1N1CCC[C@H](c2nnc3n2CCC3)C1 585092539 DAVJOAHRTHYTFC-HNNXBMFYSA-N 337.427 2.626 30 40 EFEB C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N1CCO[C@@H](c2ccc(F)cc2)C1 281785372 KVZBSLHQRPEQPR-JQHSSLGASA-N 348.418 2.890 30 40 EFEB CN(C(=O)c1ccc(C(C)(C)C)cc1)C1CN(c2nccnc2C#N)C1 1775973398 IEMZFIWXEKKJQW-UHFFFAOYSA-N 349.438 2.607 30 40 EFEB N/C(=N\OC(=O)c1cccc(C(F)(F)F)c1)c1nccnc1Cl 4286754 XIQUNKZIOJIDBI-UHFFFAOYSA-N 344.680 2.626 30 40 EFEB CSc1nccc(N2CCC(COc3cc(C#N)ccn3)CC2)n1 1889108805 SNKRJGQLGJCMHL-UHFFFAOYSA-N 341.440 2.761 30 40 EFEB COc1ccc(N/C=C2\C(=O)Oc3ccccc3C2=O)c(OC)c1 100835162 LENNIPJPVKYXPS-RAXLEYEMSA-N 325.320 2.802 30 40 EFEB C[C@]1(c2ccc(C#N)cc2)NC(=O)N(Cc2cc(F)ccc2F)C1=O 53132028 ZLFRICBNRHUHBY-GOSISDBHSA-N 341.317 2.804 30 40 EFEB N#Cc1ccc(N2CC[C@@H](CN3CCOCC3)C2)cc1C(F)(F)F 78405255 RTWIVGOYUHTMPB-ZDUSSCGKSA-N 339.361 2.736 30 40 EFEB Cc1cc(N/N=C/c2ccc(Cl)cc2)nc(N2CCOCC2)n1 4854284 GHHXXUDBNBUMOM-WOJGMQOQSA-N 331.807 2.721 30 40 EFEB N#CCCN(Cc1cccnc1)C(=O)CCc1ccc2c(c1)OCO2 58356719 NHFNVDAILZLEQD-UHFFFAOYSA-N 337.379 2.685 30 40 EFEB N#Cc1ccccc1OCC(=O)NCc1ccc(NC(=O)C2CC2)cc1 13003315 PMVVZQMUIIPJEC-UHFFFAOYSA-N 349.390 2.602 30 40 EFEB CCOc1ccccc1CCC(=O)OCC(=O)NC1(C#N)CCCC1 5151776 IGDACRFFHNXAOE-UHFFFAOYSA-N 344.411 2.514 30 40 EFEB Cc1cc(N2CCC(N(C)C(=O)c3ccc(C#N)cc3)CC2)nc(C)n1 69557495 RXHXNWSGALOYTG-UHFFFAOYSA-N 349.438 2.706 30 40 EFEB CCOC(=O)CCOc1ccc(C(=O)/C=C/c2ccnn2C)cc1 72276933 AZWZXCLLHFEQLJ-RMKNXTFCSA-N 328.368 2.648 30 40 EFEB CC(C)c1nnc2n1CCN(C(=O)c1cn(CC#N)c3ccccc13)C2 72279900 QCTPTFZLYAAVPS-UHFFFAOYSA-N 348.410 2.536 30 40 EFEB N#C[C@H]1CN(c2nccc(C(F)(F)F)n2)CCN1Cc1ccccc1 72284943 STKPGOVFYGJHME-AWEZNQCLSA-N 347.344 2.710 30 40 EFEB CN(Cc1nnc(C2CC2)o1)[C@H]1CCN(Cc2ccccc2C#N)C1 89364923 JGVNOSPSWNOKSJ-KRWDZBQOSA-N 337.427 2.525 30 40 EFEB COC(=O)c1cccc(/N=C\c2cn(CC(N)=O)c3ccccc23)c1 409386214 RKADMZQPZQDLHY-FBHDLOMBSA-N 335.363 2.664 30 40 EFEB Cc1cc(C)c2ncc(C#N)c(NC[C@@](C)(O)c3cnn(C)c3)c2c1 78303230 SYUHOTZOBBQXIK-LJQANCHMSA-N 335.411 2.776 30 40 EFEB Cc1cc(C(=O)NCC2CCN(c3ncccc3C#N)CC2)c(C)o1 70929042 TZBVTBRXRUBADW-UHFFFAOYSA-N 338.411 2.810 30 40 EFEB Cc1nc(-c2ccc(S(=O)(=O)N3CCC(C#N)CC3)cc2)co1 71910232 YMUKHLNSMLKLLT-UHFFFAOYSA-N 331.397 2.574 30 40 EFEB CCc1c(C)ncnc1N1CCN(c2ncc(C#N)cc2Cl)CC1 1776009498 GLCFOIJLQMVGNZ-UHFFFAOYSA-N 342.834 2.594 30 40 EFEB C=CCc1ccccc1OC[C@@H](O)Cn1cnc2sccc2c1=O 12814405 XVVGBPQIJMBCKM-AWEZNQCLSA-N 342.420 2.626 30 40 EFEB CCNC(=S)N/N=C/c1ccc(OCC)c(Br)c1 6154275 DVMHPKOOVLAGPT-OVCLIPMQSA-N 330.251 2.666 30 40 EFEB CCCC#C[C@@](O)(C(=O)O[C@H]1CN2CCC1CC2)C1CCCCC1 1640764 CZSCWCOOWBSDAG-ICSRJNTNSA-N 333.472 2.739 30 40 EFEB COc1ccsc1C(=O)N[C@@H](C#N)c1cnn(-c2ccccc2)c1 79352417 YSXWGHJMQRWNTG-AWEZNQCLSA-N 338.392 2.937 30 40 EFEB C#CCSc1nc2c(c(=O)[nH]1)[C@@H](c1ccc(CC)cc1)CC(=O)N2 4944185 PHSKQAOZAVCZKI-CYBMUJFWSA-N 339.420 2.532 30 40 EFEB CN1C(=O)/C(=C/c2ccc(-c3ccc(C#N)cc3)o2)C(O)=NC1=S 1278852 VNCCHIVSLNXVSR-MDWZMJQESA-N 337.360 2.915 30 40 EFEB C[C@@H]1CCc2c(sc3ncnc(OCC(=O)N(C)CCC#N)c23)C1 3247788 XJUJDZZSHQKNGY-LLVKDONJSA-N 344.440 2.567 30 40 EFEB C[C@]1(C(=O)OCC(=O)Nc2sccc2C#N)CC1(Cl)Cl 3336930 FZUGHHVJZXEVSQ-LLVKDONJSA-N 333.196 2.685 30 40 EFEB CC(C)(C)c1cnc(CN2CCCN(c3ncccc3C#N)CC2)o1 65533213 PJEFXXQENDWJOH-UHFFFAOYSA-N 339.443 2.951 30 40 EFEB C=CCOC(=O)C1=C(C)Nc2ncnn2[C@H]1c1cccc(Cl)c1 4716201 YJXJWDFPGBBMIK-AWEZNQCLSA-N 330.775 2.950 30 40 EFEB O=C1[C@H]2[C@H]3C=C[C@@H]([C@H]4C[C@H]43)[C@H]2C(=O)N1/N=C/c1cccc(Cl)c1 409084372 VGPOULNINBBTGE-RUSKEJFESA-N 326.783 2.727 30 40 EFEB O=[N+]([O-])[C@@H]1C[C@@H]1/C(O)=N/S(=O)(=O)c1ccc(-c2ccccc2)cc1 78989191 HRPJCARKKAZIOU-LSDHHAIUSA-N 346.364 2.664 30 40 EFEB C/N=C(/NCc1ccon1)N[C@H]1CCCN(c2ccccc2Cl)C1 96462459 PVVIOOBRAZCVCU-AWEZNQCLSA-N 347.850 2.662 30 40 EFEB Cc1ccn(CC(=O)Cc2ccccc2Br)c(=O)c1C#N 97094715 YKFLSOQCKGNILR-UHFFFAOYSA-N 345.196 2.603 30 40 EFEB CCO[C@H](C)c1nc(Cn2nc(CC)c(CC)c(C#N)c2=O)cs1 96424921 WIGDWJQBLSXECB-LLVKDONJSA-N 346.456 2.842 30 40 EFEB C/N=C(/NCCc1ccc(C)c(OC)c1)NCc1cnc(C)s1 81523011 BHQJFWRGLDTRIE-UHFFFAOYSA-N 332.473 2.676 30 40 EFEB C=CCN1CCC[C@@]12CCCN(C(=O)c1ccc(OC)cc1OC)C2 1565554602 CGLVABGOMMKTPT-HXUWFJFHSA-N 344.455 2.960 30 40 EFEB O=C(C[n+]1ccc(-c2nnc3n2CCC3)cc1)c1ccc(Cl)cc1 1778525 IZTGNBHNIRSRRK-UHFFFAOYSA-N 339.806 2.715 30 40 EFEB COc1cc(C(=O)/C=C/c2cccc(C#N)c2)ccc1S(C)(=O)=O 57789875 JPOJQHBWZKEBIR-SOFGYWHQSA-N 341.388 2.866 30 40 EFEB CC#CCNC(=O)Nc1ccc(I)cc1C 97164603 WELNGXHNBCDPHH-UHFFFAOYSA-N 328.153 2.744 30 40 EFEB N#Cc1ccc(NC[C@@H]2CCN(c3cnc4ccccc4n3)C2)nc1 65474046 FJMSZSBFISAARQ-HNNXBMFYSA-N 330.395 2.835 30 40 EFEB C=CCc1c(C)nc2nc(CC(=O)Nc3ccc(F)cc3)nn2c1C 9306529 UERFRNQRWYYAJI-UHFFFAOYSA-N 339.374 2.790 30 40 EFEB CC(=O)NC1=C(Nc2ccc(N(C)C)cc2)C(=O)c2ccccc2C1=O 5447484 KAJBCQTZGNCAND-UHFFFAOYSA-N 349.390 2.591 30 40 EFEB CCN1CCN(c2ccccc2NC(=O)c2cccc(C#N)c2)CC1 7107223 DJLATSIATVWHOL-UHFFFAOYSA-N 334.423 2.952 30 40 EFEB CC(C)(C)CC(=O)N1CSC[C@H]1C(=O)NCc1cccc(C#N)c1 69510471 ITBWZKWJVSHOLO-HNNXBMFYSA-N 345.468 2.512 30 40 EFEB C#CCOc1ccc(NC(=O)NCC[S@@](=O)c2ccccc2)cc1 71911855 NVUPSJKWLIWPRE-DEOSSOPVSA-N 342.420 2.628 30 40 EFEB CC/N=C1\S[C@H](C(=O)Nc2ccc(OCC)cc2)CC(=O)N1CC 18043238 IHWCKXUNHJHMFD-DNZUHHBVSA-N 349.456 2.754 30 40 EFEB C#CCOc1ccc(N(C)C(=O)c2ccccc2-n2ccnn2)cc1 97371576 VECNDLIOZZUHDP-UHFFFAOYSA-N 332.363 2.556 30 40 EFEB Cc1c(NS(=O)(=O)Cc2ccc(C#N)cc2)cccc1N(C)C 95988785 AKGVAWLVSCXXPN-UHFFFAOYSA-N 329.425 2.875 30 40 EFEB COc1cc(C(=O)NCCOc2ccc(CC#N)cc2)ccc1F 95966902 JWKNLPRHUXHUQR-UHFFFAOYSA-N 328.343 2.709 30 40 EFEB C#CCN1CCN(C(=O)c2cccc(SC(F)(F)F)c2)CC1 583651580 ONARLJGDMSPXBU-UHFFFAOYSA-N 328.359 2.690 30 40 EFEB CN(C)c1ncccc1O[C@H]1CCN(c2c(C#N)cccc2C#N)C1 252482155 CZTAUPIWUWEMPR-INIZCTEOSA-N 333.395 2.549 30 40 EFEB C=CCN1CCOCC2(CCN(C(=O)c3ccccc3C)CC2)C1 585102429 GPMSGILABKKAAY-UHFFFAOYSA-N 328.456 2.736 30 40 EFEB C=C(C)CNC(=S)NCc1ccc(CN2C[C@H](C)O[C@@H](C)C2)cc1 40087587 IDDLRCBOODUSKL-HOTGVXAUSA-N 347.528 2.836 30 40 EFEB N#Cc1ccc(OC2CCC(NC(=O)[C@H]3C[C@H]4C=C[C@H]3C4)CC2)nc1 101911527 GVTRQGBPIFXDEC-KZKFNMDGSA-N 337.423 2.972 30 40 EFEB Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)/N=C(\O)CC[C@@H]1CCCO1 54489738 LCQMQVPGPJDBMD-LBPRGKRZSA-N 342.373 2.508 30 40 EFEB CCn1c(SCC(=O)N(C)CCC#N)nnc1-c1cccc(C)c1 9255934 FRZPDKYXALWQDH-UHFFFAOYSA-N 343.456 2.738 30 40 EFEB Cc1nnc(N2CCC(NC(=O)C3CCCCC3)CC2)c(C#N)c1C 58289274 JNBDZSJSVMTPMY-UHFFFAOYSA-N 341.459 2.630 30 40 EFEB C=CCNC(=O)c1ccc(NC(=O)NCc2ccc(OC)cc2)cc1 48149153 LLTCQDOBVWDKJM-UHFFFAOYSA-N 339.395 2.933 30 40 EFEB N/C(=N/O[C@@H](c1ccccc1)c1ccc(Cl)cc1)c1nonc1N 59520312 RGVLRALWPQDKNZ-AWEZNQCLSA-N 343.774 2.732 30 40 EFEB CCCCCCCN/C=C1/C(=O)NC(=S)N(c2ccccc2)C1=O 2595968 HCGNXEJAPYDRTA-SQFISAMPSA-N 345.468 2.878 30 40 EFEB N#Cc1ccc(C(=O)N[C@@H](CN2CCCC2=O)c2ccccc2)cc1 48956565 ORQPVHIWZVAOJX-SFHVURJKSA-N 333.391 2.652 30 40 EFEB Cc1nc(C)c(S(=O)(=O)/N=C(O)/C=C/c2cccc(C#N)c2)s1 83150961 HWMAYSQZMMOWLO-VOTSOKGWSA-N 347.421 2.990 30 40 EFEB N#CCOc1ccc(CN2CCN(Cc3cccs3)CC2)cc1 65565562 GSAGTAFUUPUCSC-UHFFFAOYSA-N 327.453 2.968 30 40 EFEB N#CCc1ccc(NC(=O)COc2cccc(N3CCCC3=O)c2)cc1 15818180 IHKMRBXXQFYTEO-UHFFFAOYSA-N 349.390 2.897 30 40 EFEB CN(C)C(=O)[C@@H]1CC[C@@H](CNc2ccc(C(F)(F)F)c(C#N)c2)O1 97145460 NCPSLRWKMPYRMN-JSGCOSHPSA-N 341.333 2.625 30 40 EFEB O=[N+]([O-])c1cc(/C=N\N=C(/S)Nc2ccccc2)c(O)cc1O 16776960 HWJPGZWAVIJEMK-NVNXTCNLSA-N 332.341 2.738 30 40 EFEB CC(C)Cn1nccc1NC(=O)[C@H](C#N)c1nc2ccccc2n1C 95455111 SEWJQSZMBPNHKF-CYBMUJFWSA-N 336.399 2.672 30 40 EFEB CC(C)S(=O)(=O)N1CC[C@H](N[C@@H](C)c2ccc(C#N)cc2)[C@H](C)C1 76058007 WAUBCPIJWHVBOP-VKJFTORMSA-N 349.500 2.657 30 40 EFEB C=C(C)CN1CCC(N(CC(=C)C)C2CCN(C(C)=O)CC2)CC1 521395231 DRZYMHYNVIZKSD-UHFFFAOYSA-N 333.520 2.916 30 40 EFEB CC1=NN(c2ccc(C(=O)[C@H](C#N)C(=O)Nc3ccccn3)cc2)CC1 125258667 PKVOREPVFZLMAM-INIZCTEOSA-N 347.378 2.629 30 40 EFEB Cc1ccc(S(=O)(=O)N(C)[C@@H](C)CC#N)cc1Br 96427916 XNSWZZLFPZHYSW-JTQLQIEISA-N 331.235 2.680 30 40 EFEB COc1cc(C(C)=O)ccc1S(=O)(=O)Cc1ccccc1C#N 390835268 INEWZXSIMXLXDD-UHFFFAOYSA-N 329.377 2.743 30 40 EFEB CC(C)(C(=O)OCCn1ncc(C#N)c1N)c1cccc(Cl)c1 77869207 SGIRDFPSQVXNDI-UHFFFAOYSA-N 332.791 2.511 30 40 EFEB CN(C)/C=C(\C(=O)c1cccc(F)c1)c1nnnn1-c1ccccc1 5197563 BFYYBWVFIDUDOU-FOWTUZBSSA-N 337.358 2.587 30 40 EFEB COc1ccc([C@H]2Nc3nonc3NC3=C2C(=O)CCC3)cc1OC 12321737 CHNOTAYMEGRUAW-OAHLLOKOSA-N 342.355 2.673 30 40 EFEB CSCC(=O)Nc1c(C#N)c2c(n1C[C@H]1CCCO1)CCCC2 52892544 OKWZOHMXVGSTCW-GFCCVEGCSA-N 333.457 2.719 30 40 EFEB C[C@@H](/C(O)=N/S(=O)(=O)c1cnn(C)c1)c1ccc(Cl)s1 95408922 PONMWWVSGZXFEG-SSDOTTSWSA-N 333.822 2.584 30 40 EFEB COc1ccc(NCC(=O)N[C@@](C)(C#N)C2CC2)c(C(F)(F)F)c1 58216179 XHSWWVZWXNNAEK-HNNXBMFYSA-N 341.333 2.934 30 40 EFEB C=C(C)COc1cc(CNC[C@@H]2CCc3nncn3C2)ccc1OC 72254146 AJKNNYZMKSCFNP-INIZCTEOSA-N 342.443 2.594 30 40 EFEB N#Cc1cccnc1N1CCN(CCOc2ccccc2Cl)CC1 28795589 CJBRPVCUZJIPDM-UHFFFAOYSA-N 342.830 2.808 30 40 EFEB N#Cc1ncn(Cc2ccc(Br)c3cccnc23)c1C#N 97146131 BVAINHMKCURWGE-UHFFFAOYSA-N 338.168 2.985 30 40 EFEB C[C@H](Nc1ccc([N+](=O)[O-])c(C#N)c1)C(=O)N1CCc2ccccc21 97144743 YVUWEFSAWXUZBU-LBPRGKRZSA-N 336.351 2.856 30 40 EFEB CCN1C(=O)/C(=C\c2ccc(OCC#N)c(OC)c2)SC1=S 4578524 XARWBACIHPPCFO-UKTHLTGXSA-N 334.422 2.819 30 40 EFEB CCn1nnc2cc(C(=O)OCc3cn4ccccc4c3C#N)ccc21 14851314 YXSNSCREUQHNPL-UHFFFAOYSA-N 345.362 2.933 30 40 EFEB CN(C)C(=O)COc1cccc(CNc2ccc(F)cc2C#N)c1 96429201 DZQCJDUPHOCJGK-UHFFFAOYSA-N 327.359 2.776 30 40 EFEB CSc1ccc(/C(O)=N/S(=O)(=O)CCc2ccccc2)cn1 70036201 LEPLIOFUDZNOQC-UHFFFAOYSA-N 336.438 2.681 30 40 EFEB O=C(/C=C/N1CCOCC1)CSc1ccc(C(F)(F)F)cn1 69738020 GDFOSIDMPYLFQH-ONEGZZNKSA-N 332.347 2.608 30 40 EFEB CCCCCNC(=O)[C@H](C#N)C(=O)[C@H]1C[C@@]12CCOc1ccccc12 95404925 VXWPQJWBQIVFCZ-AKCHCHLHSA-N 340.423 2.742 30 40 EFEB N#Cc1cc(Br)ccc1N1CCC[C@@H](CCC(N)=O)C1 97083851 KVHZEKSHZTWXGP-NSHDSACASA-N 336.233 2.803 30 40 EFEB Cc1cc(C#N)cc(N(C)C[C@H](c2cccs2)N2CCOCC2)n1 225819888 WFELDDULCIUPME-MRXNPFEDSA-N 342.468 2.833 30 40 EFEB CCCCCCCCn1c(=O)c2c(nc3oc(C)cn32)n(C)c1=O 96018760 NPXWTDHYMUXKLL-UHFFFAOYSA-N 332.404 2.610 30 40 EFEB N#Cc1ccsc1C(=O)NCCOc1ccc(C(F)(F)F)cn1 96473301 VSXWPHSQSZXZEZ-UHFFFAOYSA-N 341.314 2.842 30 40 EFEB C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(O)[C@H]3CC[C@@]21CC 77293521 ZMTZYQYDIREIIA-HXIANDDZSA-N 328.452 2.998 30 40 EFEB in-vitro CC(C)N(CC(=O)N[C@@](C)(C#N)C(C)C)Cc1ccc(C#N)cc1 58289302 QHMKWTAYJHHHAI-IBGZPJMESA-N 326.444 2.823 30 40 EFEB C[C@@H](c1ccc(Cl)cc1)N1CCN(c2nccnc2C#N)CC1 78463518 ZIDLYSNMGUUUKZ-ZDUSSCGKSA-N 327.819 2.885 30 40 EFEB CC(=O)C1=C(O)C(=O)N(CC#N)[C@H]1c1ccc(Cl)cc1Cl 17822292 OEGLFUGSZWDHFA-LBPRGKRZSA-N 325.151 2.801 30 40 EFEB C=CCn1cnnc1SCC(=O)c1ccc2c(c1)CCCC(=O)N2 32328532 AFDKNHGKHHKQMQ-UHFFFAOYSA-N 342.424 2.714 30 40 EFEB N#C[C@H](C(=O)NCc1ccccc1)C(=O)c1cncc2ccccc12 102099290 COHXZWMHZPRZEE-KRWDZBQOSA-N 329.359 2.874 30 40 EFEB COc1ccccc1-c1n[nH]c(NC(=O)CCc2ccc(C#N)cc2)n1 52778861 XNOHVJDTKJAPCK-UHFFFAOYSA-N 347.378 2.923 30 40 EFEB COc1ccc([C@@H]2C(C(C)=O)=C(O)CC(C#N)(C#N)C2(C#N)C#N)cc1 269028 HBILGTOVZBBQTI-QGZVFWFLSA-N 346.346 2.651 30 40 EFEB N#Cc1ccnc(N2CCN(Cc3coc(-c4ccccc4)n3)CC2)c1 48231152 ZHDLHUALFSNWJK-UHFFFAOYSA-N 345.406 2.930 30 40 EFEB CC(=O)/C(=C\NC(=S)c1cccnc1)C(=O)Nc1ccccc1C 104301736 MVONRUAZLXPXGR-RVDMUPIBSA-N 339.420 2.767 30 40 EFEB Cc1occc1/C(O)=N/S(=O)(=O)c1c(Cl)nc2ccccn12 58102388 NHIWMHFFYQDACT-UHFFFAOYSA-N 339.760 2.583 30 40 EFEB CC(=O)N(c1cccc(C)c1)c1nc(Cn2cnc(C#N)n2)cs1 14143802 CLMGCBPZSFVIGM-UHFFFAOYSA-N 338.396 2.648 30 40 EFEB CC1(C)Cc2c(sc(NC(=O)NC[C@@H]3CCCO3)c2C#N)CO1 6662870 SQBGKEGBQBEYLT-JTQLQIEISA-N 335.429 2.772 30 40 EFEB CCC(=O)N1CSC[C@H]1C(=O)N(Cc1ccc(C#N)cc1)C(C)C 69653745 KHGKBNFYZOMEBH-INIZCTEOSA-N 345.468 2.607 30 40 EFEB N#CCCCS(=O)(=O)c1nccn1-c1ccc(C(F)(F)F)cc1 97164106 YNFODBRMMCUYNE-UHFFFAOYSA-N 343.330 2.969 30 40 EFEB C#Cc1cccc(N(Cc2cccs2)C(=O)[C@@H]2CCNC(=O)C2)c1 89261895 GRWFWPHLPSJMFG-OAHLLOKOSA-N 338.432 2.789 30 40 EFEB C[C@H](C#N)Oc1ccc(CN[C@H]2CCCN(c3cccnn3)C2)cc1 69840907 MTCOLNGUZUNJAS-WBVHZDCISA-N 337.427 2.526 30 40 EFEB C(=N/Nc1nnc2c(n1)[nH]c1ccccc12)\c1ccc2c(c1)OCO2 4335069 ZEIALBLVUCDLKC-QGMBQPNBSA-N 332.323 2.681 30 40 EFEB Cc1nc(C2=C(N)N([C@@H](C)CCc3ccco3)CC2=O)sc1C 13693045 LGNQDKBIWGCSQU-JTQLQIEISA-N 331.441 2.886 30 40 EFEB C#CCN1C(=O)[C@](O)(CC(=O)c2ccc(CC)cc2)c2ccccc21 565376 IGPCDFTZWCYIIK-NRFANRHFSA-N 333.387 2.689 30 40 EFEB COc1ccc(CC(=O)NCCNc2cccc(F)c2C#N)cc1F 42105138 FXBQTDATQRJKMI-UHFFFAOYSA-N 345.349 2.616 30 40 EFEB CSc1nc(-c2ccc(Br)cc2)c(C#N)c(=O)n1C 297978 HVTJPELYYNYENW-UHFFFAOYSA-N 336.214 2.803 30 40 EFEB Cn1cc(Br)cc1C(=O)N[C@H](C#N)c1ccccc1F 79988234 NWBNFKCTIOLBEA-GFCCVEGCSA-N 336.164 2.921 30 40 EFEB C=CCOC(=O)C1=C(C)Nc2ncnn2[C@@H]1c1ccc(Cl)cc1 1789764 GCXQYOHPXRJFDA-CQSZACIVSA-N 330.775 2.950 30 40 EFEB CCOc1ccccc1NC(=O)COC(=O)c1ccc(C#N)cc1F 7066391 HVSLJPHPVNDBAQ-UHFFFAOYSA-N 342.326 2.892 30 40 EFEB Cc1nc2scc(-c3cccs3)c2c(=O)n1CC(=O)OCC#N 7781495 PWZXPSCXRYLCBU-UHFFFAOYSA-N 345.405 2.562 30 40 EFEB Cc1cc(C)c(C#N)c(SCCNC(=O)OCC(F)(F)F)n1 69978540 BDNGVFBQVBIKFR-UHFFFAOYSA-N 333.335 2.951 30 40 EFEB Cn1cc(C#N)cc1C(=O)NCC1CCN(Cc2ccccc2)CC1 95409207 VWXVJSJHODLGAY-UHFFFAOYSA-N 336.439 2.539 30 40 EFEB C#CCn1cc(CN(C)C(=O)N[C@@H]2C[C@@H]2c2cccc(Cl)c2)cn1 89364868 JPEVDOCIDBIFTQ-IAGOWNOFSA-N 342.830 2.867 30 40 EFEB CC(=O)c1ccc(S(=O)(=O)Nc2nn(C(C)(C)C)cc2C#N)cc1 75104844 RIMHBYWJZCZERS-UHFFFAOYSA-N 346.412 2.513 30 40 EFEB CCOc1ccc(/C=N/OCC(=O)NCc2cccs2)cc1OC 5397766 CXAFHROZGUQNQS-VXLYETTFSA-N 348.424 2.822 30 40 EFEB C=CCN1CCO[C@H]2CCN(C(=O)c3cccc(Cl)c3)CC[C@@H]21 2055746363 UEXHGDKQVJITDT-IRXDYDNUSA-N 334.847 2.831 30 40 EFEB N/C(=N\OCC(=O)Nc1ccc(F)c(Cl)c1)c1cccs1 50512557 SLNAXNAMAIMOBY-UHFFFAOYSA-N 327.768 2.816 30 40 EFEB N#CCOc1ccc(NC(=O)CCNc2ccccc2[N+](=O)[O-])cc1 32900272 SYQKBMKLXLSILB-UHFFFAOYSA-N 340.339 2.938 30 40 EFEB COC(=O)c1ccc2c(c1)C(=O)/C(=C/c1ccc(O)c(OC)c1)O2 429857 FRGQUTFBRMOBND-PXNMLYILSA-N 326.304 2.804 30 40 EFEB biogenic,in-vitro C=C(C)CN1CCC(NC(=O)NCc2ccc(OC)c(OC)c2)CC1 78533150 VBRZNIZTPKDAFG-UHFFFAOYSA-N 347.459 2.544 30 40 EFEB C/C(=N\NC(=S)NC1CCCC1)[C@H]1Cc2ccccc2C(=O)O1 54281180 HDNXCNIJNCZIHF-SKCQWOFPSA-N 331.441 2.551 30 40 EFEB N#CCN(C(=O)COC(=O)C[C@H]1C[C@H]2CC[C@@H]1C2)c1ccccc1 7646522 MQXIFTFTCLAQHJ-ARFHVFGLSA-N 326.396 2.913 30 40 EFEB C=CC[C@]1(C(=O)OC)C(=O)C[C@H]2CC[C@H]1N2Cc1ccc(F)cc1 100186405 GMCXELCFTKXPRM-GPMSIDNRSA-N 331.387 2.867 30 40 EFEB C=CCN(CC(=O)NC(=O)NC(C)C)Cc1ccc(Cl)s1 58160647 HBBPYSJYYKMFPQ-UHFFFAOYSA-N 329.853 2.624 30 40 EFEB N#Cc1cccc(OCCSc2nnc(-c3cccs3)n2N)c1 53208711 QHXOHSLUQDZSRE-UHFFFAOYSA-N 343.437 2.763 30 40 EFEB CCc1nc(C#N)c(NC[C@H](c2ccccc2)N2CCOCC2)o1 27750105 DVSPZWPULGDVGQ-MRXNPFEDSA-N 326.400 2.594 30 40 EFEB N#Cc1cccc([C@@H]2C[C@@H]2/C(O)=N/S(=O)(=O)C[C@@H]2CCCCO2)c1 83147385 FIFAMYYPQHNTCU-JYJNAYRXSA-N 348.424 2.517 30 40 EFEB N#Cc1cccnc1NC[C@H]1CCN(c2nccc(C(F)(F)F)n2)C1 65474020 RDQXETSFEJIVTP-LLVKDONJSA-N 348.332 2.700 30 40 EFEB Cc1ccccc1COc1ccccc1/C=N/Nc1nc(=O)[nH]nc1C 4422703 ULEUEFUDOVJRQU-RGVLZGJSSA-N 349.394 2.807 30 40 EFEB C[C@H](CC#N)N1CCN(C(=O)c2ccc(Br)cc2)CC1 65563222 HMXKSWWRFJHVLX-GFCCVEGCSA-N 336.233 2.509 30 40 EFEB O=C1[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)N1N=Cc1ccc(N2CCCCC2)cc1 409404150 CODAMBCZFAMHQX-PBWTXFEYSA-N 349.434 2.818 30 40 EFEB Cc1nc(C(=O)O[C@H](C)C(=O)c2c[nH]c3ncccc23)ccc1C#N 1116431775 MWRBHOSACZUTMW-LLVKDONJSA-N 334.335 2.566 30 40 EFEB CC(C)CC[C@]1(C)NC(=O)N(CCOc2ccc(C#N)cc2)C1=O 40059275 WIPONNMXWFREQJ-SFHVURJKSA-N 329.400 2.684 30 40 EFEB N#C[C@H](C(=O)NC[C@@H]1CCCO1)C(=O)c1cc2c(F)cccc2s1 103502346 VDNHUAMXWQBVPK-JQWIXIFHSA-N 346.383 2.658 30 40 EFEB CCN(Cc1ccc(C#N)cc1F)C(=O)Nc1cnn(CCOC)c1 47876512 BENKCVYYRGXKBB-UHFFFAOYSA-N 345.378 2.594 30 40 EFEB N#C[C@H]1C[C@@H]2CC3(CC[C@H]2CN1C(=O)c1ccccc1)OCCO3 6514616 XIPRMSHMVONOPL-GVDBMIGSSA-N 326.396 2.584 30 40 EFEB COC(=O)c1ccc(/C=N/N=c2/sc3ccccc3n2C)cc1 3286909 JWTQZAVICBCIGJ-HIIRIOHQSA-N 325.393 2.961 30 40 EFEB C[C@H]1CN(C(=O)c2ccc(COc3ccc(C#N)cc3)o2)[C@@H](C)CO1 69416915 UZJUXEREQYLUCK-KBPBESRZSA-N 340.379 2.980 30 40 EFEB CC(C)N(C)S(=O)(=O)/N=C(\O)[C@@H](C)CCc1ccccc1F 95404953 GQKNYAHNXKUHTK-LBPRGKRZSA-N 330.425 2.936 30 40 EFEB COc1ccc([C@H](O)CNC(=O)C(C)(C)c2cccc(C#N)c2)cc1 89761860 LMHOITIKQLFUQO-GOSISDBHSA-N 338.407 2.694 30 40 EFEB CCNC(=S)N/N=C/c1ccc(-c2ccccc2C(=O)OC)o1 33957606 NOJWLCFWYIWQSM-VCHYOVAHSA-N 331.397 2.551 30 40 EFEB CC(C)[C@@](C)(C#N)NC(=O)CSc1ccc2c(c1)OCCCO2 6436786 XDIPDKNXKNIPPR-QGZVFWFLSA-N 334.441 2.994 30 40 EFEB CN1C(=O)C[C@H](C(=O)Nc2ccc(C#N)cc2)[C@@H]1c1ccc(F)cc1 72242189 KDWHGPIEQIBYSI-WMZOPIPTSA-N 337.354 2.855 30 40 EFEB C=CCO[C@@H]1CC[C@H]2[C@H]1OCCN2CCc1ccc(OC)c(OC)c1 96041532 WDGSWCJDZIATIQ-ILZDJORESA-N 347.455 2.681 30 40 EFEB COc1cc(Br)cc(F)c1B1OC(C)(C)C(C)(C)O1 642814369 FYAGPFGNJZMYFT-UHFFFAOYSA-N 330.990 2.896 30 40 EFEB N#Cc1cccc(NC(=O)COc2ccc(N3CCCC3=O)cc2)c1 15573873 QXSCRDPUXPYWGW-UHFFFAOYSA-N 335.363 2.703 30 40 EFEB O=C1CN(/N=C\c2ccc(-c3cccc(C(F)(F)F)c3)o2)C(=O)N1 17109588 VRYHPJFTKIBSCP-GXHLCREISA-N 337.257 2.851 30 40 EFEB Cc1nnc(SCC(=O)N[C@](C)(C#N)C2CC2)n1C1CCCCC1 6788581 SBNVGHDIRBXJFM-QGZVFWFLSA-N 347.488 2.992 30 40 EFEB O=C1[C@H]2[C@@H]3C=C[C@@H]([C@H]2C(=O)N1/N=C/c1cccc(Cl)c1)C31CC1 100058690 GEPKDOJMRDNGAR-DBZNJLBHSA-N 326.783 2.871 30 40 EFEB COC(=O)c1ccccc1NC(=O)/C(O)=C/C(=O)c1ccccc1 100756965 GVFCHSIMLUYYLG-WJDWOHSUSA-N 325.320 2.737 30 40 EFEB biogenic C=C(C)CNC(=S)Nc1ccc([C@@]2(CC)CCC(=O)NC2=O)cc1 53526579 QLFOPGULKKXLCF-GOSISDBHSA-N 345.468 2.634 30 40 EFEB Cc1cccc(OCCN(C)c2ncnc3c2cnn3CCC#N)c1 97200388 FVJNXEPQGSICKN-UHFFFAOYSA-N 336.399 2.564 30 40 EFEB N#Cc1ccc(OCC(=O)c2ccc(NC(N)=O)cc2)c(Cl)c1 26705484 UCHPIMSAGGIFDA-UHFFFAOYSA-N 329.743 2.964 30 40 EFEB CC(C)(C)[C@@H]1CCCC[C@@H]1NC(=O)NCCCc1n[nH]c(N)c1C#N 48279047 IJWGGOLYIVZYPS-HIFRSBDPSA-N 346.479 2.700 30 40 EFEB N#C[C@@H]1C(=O)N=C2Nc3ccccc3N2[C@@H]1c1ccc([N+](=O)[O-])cc1 20637438 RFWWCRPFAIBCCN-SWLSCSKDSA-N 333.307 2.604 30 40 EFEB O=C1[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@H]34)[C@@H]2C(=O)N1/N=C/c1ccccc1Cl 100201844 UZVXTCIYZHORKC-UCPFKQHCSA-N 326.783 2.727 30 40 EFEB COc1ccccc1N1CCN(c2ccc([N+](=O)[O-])cc2C#N)CC1 6652293 DOKLZABTSLXIAI-UHFFFAOYSA-N 338.367 2.802 30 40 EFEB C=CCn1cc(C(=O)N2C[C@H](C(N)=O)CC[C@@H]2C)c2ccccc21 71830080 FQVKTOFFEADRLM-UONOGXRCSA-N 325.412 2.553 30 40 EFEB CC#CCNc1cnn(-c2ccc(C(F)(F)F)cn2)c(=O)c1Cl 95450201 PSOXCCFDYQONAA-UHFFFAOYSA-N 342.708 2.735 30 40 EFEB N#C[C@@H](NC(=O)[C@@H]1CCOC1)c1ccc(OCc2ccccc2)cc1 69516671 QBZRUEYOFKGOOG-IEBWSBKVSA-N 336.391 2.983 30 40 EFEB Cc1c(C(=O)OCC2(C#N)CCOCC2)cnn1-c1ccccc1F 97056636 NYPRBOCLQYGWFT-UHFFFAOYSA-N 343.358 2.797 30 40 EFEB Cc1ccoc1C(=O)NCCCNc1ccc([N+](=O)[O-])cc1C#N 72291269 QLAJMBKPYDKBBS-UHFFFAOYSA-N 328.328 2.600 30 40 EFEB N#Cc1ccc(COc2cccc(CC(N)=O)c2)c(Br)c1 95993905 PHITXALLLXMYCN-UHFFFAOYSA-N 345.196 2.928 30 40 EFEB CN(Cc1ccc([S@](C)=O)cc1)C(=O)NCc1cccc(C#N)c1 89356106 BFYAVFGIYLPKDI-XMMPIXPASA-N 341.436 2.637 30 40 EFEB N#C[C@]1(CO)[C@H](c2ccccc2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 218055339 NLPBNIVXKUFUDM-IKGGRYGDSA-N 347.823 2.782 30 40 EFEB C[C@H](Oc1ccccc1C#N)C(=O)Nc1ccn(Cc2ccccn2)n1 58185456 FHVWKAFSBQMHSI-AWEZNQCLSA-N 347.378 2.604 30 40 EFEB CC(C)OCCCNC(=O)[C@@H](C#N)C(=O)C[C@H](C)c1ccccc1F 100705840 UDQQDRBVPQQGJD-HOCLYGCPSA-N 348.418 2.959 30 40 EFEB C=CCN1C(=O)[C@](O)(CC(=O)c2ccccc2OC)c2ccccc21 299888 QHGFPDMQUQOHFZ-FQEVSTJZSA-N 337.375 2.688 30 40 EFEB COc1cccc(OCc2cc(/C=N/n3cncn3)ccc2OC)c1 499832 LRBUXUAWBJSBAA-KEBDBYFISA-N 338.367 2.757 30 40 EFEB N#C[C@@H](C(=O)c1ccc(Br)cc1)C(=O)N1CCCCC1 103502386 ALIMQNJRZXMPQU-ZDUSSCGKSA-N 335.201 2.784 30 40 EFEB C[C@@H](NC(=O)Nc1ccccc1)C(=O)N(C)Cc1ccc(C#N)cc1 25115951 HHOCQUHVKCFZSM-CQSZACIVSA-N 336.395 2.727 30 40 EFEB CCC(=O)Nc1ccc(C)c(NCC(=O)N[C@](C)(C#N)C2CC2)c1 55848428 YVSMUQZQFUVYIQ-GOSISDBHSA-N 328.416 2.564 30 40 EFEB C/N=C(/NC[C@@H]1C[C@H]2CC[C@H]1O2)NCC1(c2ccccc2F)CC1 110677771 LTXPADJMXVBUSB-JJRVBVJISA-N 331.435 2.590 30 40 EFEB C=CCN(CC(=O)Nc1ccc(F)cc1)S(=O)(=O)c1ccccc1 14120931 HVODHLLHSRYYHG-UHFFFAOYSA-N 348.399 2.641 30 40 EFEB C/N=C(/NCc1ccc(C(=O)N(C)C)cc1)N[C@H](C)c1ccccc1 69514249 IXHXLXBLGKTKRK-OAHLLOKOSA-N 338.455 2.815 30 40 EFEB N#Cc1cccnc1NC[C@@H]1CCN(c2cnc3ccccc3n2)C1 65474160 JDIMJKWSHONMJH-AWEZNQCLSA-N 330.395 2.835 30 40 EFEB CN(/C(N)=N/CCOc1ncc(C(F)(F)F)cc1Cl)C1CC1 225574480 DYQLZJSQZUYXGA-UHFFFAOYSA-N 336.745 2.542 30 40 EFEB Cc1cc(=O)[nH]c(N/N=C/c2cc(C)n(CC(F)(F)F)c2C)n1 17722008 XRBIOKIAOFDBBY-NGYBGAFCSA-N 327.310 2.505 30 40 EFEB N#Cc1c(Nc2ccccc2)c(/C=N/N=C/c2cccnc2)c[nH]c1=O 3911947 LDZQHCWVMNIZOL-YNPCZLEUSA-N 342.362 2.838 30 40 EFEB O=C1Nc2ccccc2/C1=N/N1CCN(c2ccc(Cl)cc2)CC1 107088 QMOZEIOLBXUNMT-UHFFFAOYSA-N 340.814 2.818 30 40 EFEB COc1ccc(-c2nc(C#N)c(NC[C@@H]3CCCO3)o2)cc1OC 533650 MZTMDQAFMPJJBY-LBPRGKRZSA-N 329.356 2.821 30 40 EFEB COc1cc2c(cc1OC)CCN(c1nnc(C)c(C)c1C#N)CC2 57150276 KXPAPVIMXSZLDE-UHFFFAOYSA-N 338.411 2.588 30 40 EFEB N#Cc1cccnc1NCCNC(=O)c1ccc(Cn2cccc2)cc1 95350964 SDOJBDRQRJVMAQ-UHFFFAOYSA-N 345.406 2.645 30 40 EFEB C=CCNC(=O)CN1c2ccccc2[C@H](C(=O)N[C@@H](C)CC)C[C@@H]1C 58201542 COMBULIRYMFJFQ-YQQAZPJKSA-N 343.471 2.586 30 40 EFEB COc1ccc(/C(COC(=O)c2ccc([N+](=O)[O-])cc2)=N/O)cc1 9261856 AWSLFTGTLVCSNP-BMRADRMJSA-N 330.296 2.639 30 40 EFEB C[C@@H]1CN(S(=O)(=O)c2cccc(C#N)c2)[C@@H](c2ccccc2)CO1 110633296 ROHVOLUCKBEXMW-RDTXWAMCSA-N 342.420 2.709 30 40 EFEB Cc1ccsc1/C=N/n1c(S)nnc1-c1n[nH]c2c1CCC2 5626149 VVOPAFRPIVWPSJ-VIZOYTHASA-N 330.442 2.698 30 40 EFEB Cn1cc(C#N)cc1C(=O)N1CCC[C@@H](n2cnc3ccccc32)C1 81155230 DAVJLJSQHKUTSA-OAHLLOKOSA-N 333.395 2.724 30 40 EFEB COCCn1c(SCCCC#N)nc2sc3c(c2c1=O)CCC3 9568436 PXTONICPMQGVQP-UHFFFAOYSA-N 349.481 2.989 30 40 EFEB COC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)c1ccc(C#N)cc1 8316561 QNIAOPJRIZNXKT-GOSISDBHSA-N 347.374 2.554 30 40 EFEB N#Cc1cc(F)ccc1NS(=O)(=O)CCc1ccccc1[N+](=O)[O-] 97048799 CUSNQCQDNDALOD-UHFFFAOYSA-N 349.343 2.590 30 40 EFEB C[C@H]1CN(c2ccc(NC(=O)N(C)CCC#N)cc2F)C[C@H](C)O1 75572829 GVKLZLXSQFZZQL-STQMWFEESA-N 334.395 2.817 30 40 EFEB N/C(=N\CCc1c[nH]c2ccc(F)cc12)Nc1ncccc1[N+](=O)[O-] 225242264 DIMIVQUXFZRGEL-UHFFFAOYSA-N 342.334 2.580 30 40 EFEB N#Cc1cccc(C(=O)Nc2cnc3cc(C(F)(F)F)nn3c2)c1 225572265 JZWOEEDULWFOMB-UHFFFAOYSA-N 331.257 2.872 30 40 EFEB Cc1ccccc1NC1CCN(CC(=O)N(C)C(C)(C)C#N)CC1 58341240 QGWXWCXXFWARDM-UHFFFAOYSA-N 328.460 2.632 30 40 EFEB C[C@@H](Oc1cccc(C#N)c1)C(=O)c1ccc(NS(C)(=O)=O)cc1 7025878 YYECHUXBQDNKAZ-GFCCVEGCSA-N 344.392 2.580 30 40 EFEB O=C1Nc2ccc(Br)cc2/C1=N\N=C\c1ccccc1O 223526 URTJHCGEUQQNPX-CAOOACKPSA-N 344.168 2.930 30 40 EFEB CCOc1ccc(/N=C/c2ccc(OCC(N)=O)c(OC)c2)cc1 100384106 GMEICBXNXCYZHF-RGVLZGJSSA-N 328.368 2.709 30 40 EFEB N#Cc1ccc(NCCNC(=O)c2ccccc2Br)nc1 24985271 XFSZTDRDSADTIU-UHFFFAOYSA-N 345.200 2.558 30 40 EFEB Cc1cc(C)n(Cc2ccc(C(=O)N[C@]3(C#N)CCSC3)cc2)n1 95392566 DZMZAICRJJMXDR-SFHVURJKSA-N 340.452 2.677 30 40 EFEB COc1ccc(C(=O)NC(=S)Nc2ccccc2C#N)c(OC)c1 59294097 QHMXKTUZAZSUGH-UHFFFAOYSA-N 341.392 2.702 30 40 EFEB N#Cc1ccc(NC(=O)N2CCN(Cc3cccc(O)c3)CC2)cc1 58197766 ZNHSAYSJNKMXDJ-UHFFFAOYSA-N 336.395 2.614 30 40 EFEB C=CC[C@@H]1N([C@@H](C)c2ccccc2)C(=O)[C@@H]2[C@@H](C(=O)O)[C@H]3C=C[C@@]12O3 4028781 YWYCUWTWYARELT-QBPGQARMSA-N 339.391 2.559 30 40 EFEB biogenic O=[N+]([O-])c1ccccc1/N=C(\S)N/N=C/c1ccc(O)c(O)c1 13878667 JWFMXPSDVRMODA-OVCLIPMQSA-N 332.341 2.547 30 40 EFEB C=CCN(CC(=O)OCC)c1nccc(Oc2ccc(F)cc2)n1 95443201 KAJNLVLFLHWUOB-UHFFFAOYSA-N 331.347 2.964 30 40 EFEB CN(C[C@@H]1COc2ccccc2O1)c1ccc(C#N)cc1[N+](=O)[O-] 23078412 QGDBDPLPICCJMH-CYBMUJFWSA-N 325.324 2.743 30 40 EFEB Cc1nnc2n1CCN(C(=O)c1ccccc1-c1ccccc1C#N)C2 69458889 YEHXVDCBPXLQCM-UHFFFAOYSA-N 343.390 2.781 30 40 EFEB C=CCN(Cc1nc(C)cs1)S(=O)(=O)c1ccc(OC)cc1 88508866 ZRPQDZLJXCWNME-UHFFFAOYSA-N 338.454 2.837 30 40 EFEB CC(C)c1ccc(S(=O)(=O)N/N=C\c2ccc(O)c(O)c2)cc1 32575610 RWFSPFUHKFXGIV-YVLHZVERSA-N 334.397 2.534 30 40 EFEB Cc1ccc(S(=O)(=O)[C@@H]2[C@H](c3ccc(F)cc3)[C@@]2(C#N)CO)cc1 225656007 NHOFTUQPJICLKX-RCCFBDPRSA-N 345.395 2.576 30 40 EFEB CNS(=O)(=O)c1ccc(CNc2cc(Cl)ccc2C#N)s1 96412845 KWGXETMDDUJSOE-UHFFFAOYSA-N 341.845 2.793 30 40 EFEB CC/C=C(C)/C(O)=N/S(=O)(=O)c1cncc(Br)c1 96404490 FKWGJYUZNVYOHI-XBXARRHUSA-N 333.207 2.846 30 40 EFEB O=C1[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)N1/N=C/c1ccc(Br)cc1 253576316 VRCOJNNPTOAYCX-WUVNQNKHSA-N 345.196 2.590 30 40 EFEB Cc1ccc(S(=O)(=O)/N=C(\O)COc2ccc(C#N)cc2)s1 48527430 HTJBFZFEGGBBCN-UHFFFAOYSA-N 336.394 2.652 30 40 EFEB Cc1cc(/C(O)=C2/C(=O)CC(C)(C)[C@@H](c3cc(C)no3)C2=O)on1 12663488 RABDAZTUBMJOTR-MRPLLJTBSA-N 330.340 2.900 30 40 EFEB biogenic Cc1nc(C2CC2)nc(N2CCN(c3cc(C#N)ccn3)CC2)c1C 1888843003 ZPJKMAHHJLQHHU-UHFFFAOYSA-N 334.427 2.564 30 40 EFEB CCc1cc(OCC2CCN(c3ccc(C#N)nc3)CC2)nnc1C 1888869495 HHLDPHQRWMSHJT-UHFFFAOYSA-N 337.427 2.910 30 40 EFEB CC1(C)CC(=O)C2=C(C1)Nc1[nH]c(N)nc(=O)c1[C@H]2c1ccccc1 18202340 ZGUPBZGPQOZDOW-ZDUSSCGKSA-N 336.395 2.553 30 40 EFEB O=[N+]([O-])c1cccc(N/N=C/c2ccc(N3CCOCC3)s2)c1 4918518 IONRPIYOYBXOOR-LFIBNONCSA-N 332.385 2.939 30 40 EFEB COC[C@](C)(C#N)NC(=O)CCc1ncc(-c2ccc(F)cc2F)o1 84640310 VXRONIBKPAIPHE-KRWDZBQOSA-N 349.337 2.597 30 40 EFEB CS/C(=N/N=C/c1ccccc1O)N/N=C/c1ccccc1O 100930587 FJQNFEHTCRWTCR-ODPUSEOTSA-N 328.397 2.774 30 40 EFEB COc1cc(CNC(=O)N2CCC(C#N)CC2)ccc1OC(F)F 58249082 QTLDLCBANHIBOU-UHFFFAOYSA-N 339.342 2.742 30 40 EFEB CC(C)(C)n1cc(/C=C/C(=O)c2ccc3c(c2)NC(=O)CO3)cn1 58229837 NPSXEBYBRZGOES-GQCTYLIASA-N 325.368 2.865 30 40 EFEB Cc1oc(-n2cccc2)c(C#N)c1C(=O)NCc1ccccc1CO 66049751 XLHPPQQSGTUPBV-UHFFFAOYSA-N 335.363 2.673 30 40 EFEB CC(C)[C@](C)(C#N)NC(=O)COC(=O)c1ccc2c(c1)CCCC2 6604781 MCKOIJYTNSLALW-IBGZPJMESA-N 328.412 2.777 30 40 EFEB O=C1C[C@@H](c2ccco2)CC2=C1[C@H](c1ccccn1)n1ncnc1N2 22608659 CABOPSFYMHKHQG-GTNSWQLSSA-N 333.351 2.682 30 40 EFEB CC/N=C1\S/C(=C\c2ccc(O[C@@H](C)C(=O)O)cc2)C(=O)N1CC 408849527 WVPKKMFHSVZMIQ-FWMNTSEWSA-N 348.424 2.851 30 40 EFEB CN(Cc1ccc(C#N)cc1F)[C@@H]1CS(=O)(=O)c2ccccc21 89356200 JVXVUBCCZXOKGI-MRXNPFEDSA-N 330.384 2.658 30 40 EFEB CCN(CC)C(=O)CSc1nc(N)c(C#N)c(CC(C)C)c1C#N 20478055 ZHUCYWNRUHIWBL-UHFFFAOYSA-N 345.472 2.566 30 40 EFEB CC(=O)Nc1ccc(/N=C/c2cn(CC(N)=O)c3ccccc23)cc1 409386155 QVPGPRFWTBOTAL-UFFVCSGVSA-N 334.379 2.836 30 40 EFEB O=C1NC(=Nc2cccc([N+](=O)[O-])c2)S/C1=C\c1ccncc1 408817288 NAAPJSUSNMBNSQ-JYRVWZFOSA-N 326.337 2.881 30 40 EFEB CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)OC(=O)c1ccc2ccccc2n1 5848285 PZLAGFUPGRDBPE-YJYMSZOUSA-N 339.395 2.835 30 40 EFEB C[C@@H](CCC(=O)N(C)CCCc1[nH][nH]c(=N)c1C#N)c1ccccc1 561184065 UNDHGRZSHCYACQ-AWEZNQCLSA-N 339.443 2.669 30 40 EFEB COc1ccc(Oc2ccc(C/N=C(/N)N(C)C3CC3)cn2)cc1 195559291 VYCPBIREETVVQZ-UHFFFAOYSA-N 326.400 2.791 30 40 EFEB Cc1cccc2c1N(S(=O)(=O)c1ccc(C#N)nc1)CC[C@@H]2C 581943806 YZNGOLAFDUJJNL-LBPRGKRZSA-N 327.409 2.964 30 40 EFEB N#Cc1ncccc1N1CCC(Oc2nccc(C(F)(F)F)n2)CC1 1776009731 OVVZLASXFHDVHO-UHFFFAOYSA-N 349.316 2.810 30 40 EFEB COc1ccc(OC)c([C@@H]2NC(=O)C(O)=C2C(=O)c2ccccc2)c1 5687001 ZGWIHTCFTCGPSR-INIZCTEOSA-N 339.347 2.570 30 40 EFEB C=CCc1cccc2cc(C(=O)N3C[C@H](C)O[C@H](C)C3)c(=O)oc12 12930557 HCZBNNXBJCJAER-BETUJISGSA-N 327.380 2.771 30 40 EFEB CC(C)C(=O)Nc1ccc(NS(=O)(=O)c2cccc(C#N)c2)cc1 16122081 NZNQWQCJOSUCFT-UHFFFAOYSA-N 343.408 2.954 30 40 EFEB CC(C)[C@](C)(C#N)NC(=O)c1cccc(I)c1 32735971 IDFMAQURGAJPLM-ZDUSSCGKSA-N 342.180 2.959 30 40 EFEB N#C[C@H](C(=O)c1ccc(N2CCNC2=O)cc1)c1nc2ccccc2o1 41542119 NNEADJWXBMIHON-CQSZACIVSA-N 346.346 2.847 30 40 EFEB C[C@@H](CC#N)Sc1ccccc1NC(=O)CSc1nncn1C 78565985 XDGKOHQHTAZCJW-NSHDSACASA-N 347.469 2.940 30 40 EFEB COC(=O)c1cccc(NCC(=O)NC2(C#N)CCCCC2)c1C 26792481 MXDBKSHFLBCLHG-UHFFFAOYSA-N 329.400 2.536 30 40 EFEB CC(C)NS(=O)(=O)c1cccc(CNc2cccc(F)c2C#N)c1 26707987 NNLPKRQOMGEAAZ-UHFFFAOYSA-N 347.415 2.996 30 40 EFEB Cc1c(C(=O)/C=C/c2csnn2)nnn1-c1cccc(Cl)c1 58180213 BBKWELNIFTZDDH-AATRIKPKSA-N 331.788 2.977 30 40 EFEB N#Cc1cccnc1NCCNC(=O)N1CCC[C@H]1c1ccsc1 44971926 AYNAKYVEJFRJIZ-HNNXBMFYSA-N 341.440 2.973 30 40 EFEB C=CCSc1nc2c(c(=O)[nH]1)[C@H](c1ccc(OC)cc1)CC(=O)N2 11363914 BKNPEQBXNZDSOB-LBPRGKRZSA-N 343.408 2.531 30 40 EFEB Cc1ccc(S(=O)(=O)O[C@H]2[C@H]3[C@H]4S[C@H]5[C@H]2[C@@H]2[C@H]3C[C@H]4[C@H]52)cc1 104055769 IJOQHVCJLFLQPZ-LXMJKQKISA-N 334.462 2.695 30 40 EFEB C=CCNC(=O)[C@H](C)Sc1nnc(Cc2ccccc2)n1CC 12901812 QNRQVOYQQROCNO-ZDUSSCGKSA-N 330.457 2.672 30 40 EFEB COc1ccc([C@@H]2/C(=N/O)C(c3ccccc3)=Nc3ncnn32)cc1 13149416 JSBFDWCYTXJZPK-FIOICXDGSA-N 333.351 2.841 30 40 EFEB C[C@](O)(CNC(=O)NCc1ccc(C#N)cc1F)c1ccc(F)cc1 95443333 JWWBPPQTHKNMSN-SFHVURJKSA-N 345.349 2.543 30 40 EFEB CCCCCCC(=O)N(O)[C@H]1CC(=O)N(c2ccc(C)cc2)C1=O 86013180 YGYWXJBHSBZDDQ-HNNXBMFYSA-N 332.400 2.815 30 40 EFEB aggregator Cc1cc(Cl)ccc1C(=O)N(C)CCCc1n[nH]c(N)c1C#N 195550132 JULNFGKGPUNCBY-UHFFFAOYSA-N 331.807 2.530 30 40 EFEB N#Cc1ccc(CCC(=O)NC[C@H]2CCCN2c2ccccn2)cc1 225630136 WHZIGDWRRZTWJR-GOSISDBHSA-N 334.423 2.671 30 40 EFEB O=S(=O)(/N=C(\O)C[C@@H]1C=CCC1)c1cnn(Cc2ccccc2)c1 96452585 ZZAGXPXYKRADLK-CQSZACIVSA-N 345.424 2.933 30 40 EFEB C=CCC1(NC(=O)c2sc3nc(C)nc(N)c3c2C)CCOCC1 618249440 TXCVQMASCWYWEP-UHFFFAOYSA-N 346.456 2.745 30 40 EFEB CCO[C@H]1CCC[C@H]1S(=O)(=O)Oc1ccc(C#N)cc1Cl 1615586823 ZTDQDVLJLJZAET-UONOGXRCSA-N 329.805 2.878 30 40 EFEB CCc1ccc(C(=O)O)cc1NS(=O)(=O)c1ccc(C#N)c(F)c1 582881681 KQFLQGZFVBOWOI-UHFFFAOYSA-N 348.355 2.759 30 40 EFEB C#CCn1cc(CN2CCc3c(O)nc(C)nc3C2)c2ccccc21 19576635 RRMWCUGZZNVLAI-UHFFFAOYSA-N 332.407 2.637 30 40 EFEB CO[C@@H]1C[C@@H](c2ncc[nH]2)N(C(=O)c2ccc(C3(C#N)CC3)cc2)C1 591683272 ZUMASYDAVAMIOL-CVEARBPZSA-N 336.395 2.567 30 40 EFEB CN(CCC#N)C(=O)CSc1nnc(-c2c[nH]c3ccccc23)o1 12472250 VLMLMTLPSJNIII-UHFFFAOYSA-N 341.396 2.682 30 40 EFEB COC(=O)c1cccc(S(=O)(=O)/N=C(\O)C=C(C2CC2)C2CC2)c1 58193971 REUQQGCOJWLFSO-UHFFFAOYSA-N 349.408 2.865 30 40 EFEB CNC(=O)[C@H](C#N)C(=O)c1ccc(Oc2ccc(F)c(F)c2)cc1 102758162 YEUURKHROXVALB-CYBMUJFWSA-N 330.290 2.826 30 40 EFEB Cc1cccc(S(=O)(=O)/N=C(\O)CN(C)Cc2ccccc2)c1 95444997 ZSBVBFCOFNQUPA-UHFFFAOYSA-N 332.425 2.772 30 40 EFEB C=CCN(c1ccc(C(=O)N[C@H]2C[C@@H]3CC[C@@H]2C3)cc1)S(C)(=O)=O 100402057 JKKJOITZJVEORZ-UNEWFSDZSA-N 348.468 2.557 30 40 EFEB N#CCCN(C(=O)COC(=O)c1ccc(F)cc1)c1ccccc1 2637338 XEZUVCJULMPHSP-UHFFFAOYSA-N 326.327 2.929 30 40 EFEB N#Cc1cc(N[C@H]2CCN(C3CCCCC3)C2=O)ccc1[N+](=O)[O-] 95944351 QURJFIRLMQMCFZ-HNNXBMFYSA-N 328.372 2.812 30 40 EFEB COc1ccc(/C(O)=N/S(=O)(=O)Cc2ccccc2)c(OC)c1 48595691 PTKGIQAQZINOPX-UHFFFAOYSA-N 335.381 2.538 30 40 EFEB Cc1c(C#N)c(SCC(=O)N[C@](C)(C#N)C(C)C)nc2c1CCC2 9154635 DKMSMGIETHEIDI-GOSISDBHSA-N 342.468 2.897 30 40 EFEB C=CCN1CCN[C@H](Cc2cccc(-c3ccc(OC)cc3)c2)C1=O 72352843 FHGSPWVHWOQDJX-HXUWFJFHSA-N 336.435 2.891 30 40 EFEB Cc1ccc2c(CC(=O)NCCNc3ncccc3C#N)c[nH]c2c1 69486665 LSGJWZXVWZKPEF-UHFFFAOYSA-N 333.395 2.514 30 40 EFEB COCCN1C(=O)S/C(=C/c2cn(CC#N)c3ccccc23)C1=O 409143593 CWRPOZGUCRQGAI-XNTDXEJSSA-N 341.392 2.848 30 40 EFEB C[C@H](CC#N)NC(=O)[C@H](Cc1ccccc1)NC(=O)c1cccs1 69814716 GASFCEJXFVDKDU-HIFRSBDPSA-N 341.436 2.508 30 40 EFEB C=CCc1cc(/C=C2/SC(=O)N(CCOC)C2=O)cc(OC)c1O 409140760 SGAVJVROYHKFRX-GXDHUFHOSA-N 349.408 2.812 30 40 EFEB Cn1c(CO)cnc1SCc1ccc(C#N)cc1Br 97046770 OLSGJVAIGKYQGL-UHFFFAOYSA-N 338.230 2.839 30 40 EFEB N#Cc1ccc(N2CCC[C@@H](N3CCC[C@@H](n4cccn4)C3)C2=O)cc1 97048445 NIAWOMIHSGPZAJ-RTBURBONSA-N 349.438 2.587 30 40 EFEB Cc1cccc(-n2cccc2C=NN2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)c1 409409192 UGRDOBUDKFUVOU-STEAMIEHSA-N 345.402 2.927 30 40 EFEB COc1ccccc1[C@@H](C)CC(=O)[C@@H](C#N)C(=O)NC1CCCC1 78411099 OLQJXASKFNIIMB-XJKSGUPXSA-N 328.412 2.956 30 40 EFEB NC(=S)C(=S)/N=C\c1ccc(-c2cc([N+](=O)[O-])ccc2O)o1 35188678 FQQQTXMMVIIHTR-UUASQNMZSA-N 335.366 2.593 30 40 EFEB Cc1nc(C)c(C(=O)NCC#CCN(C)Cc2ccccc2)s1 85470621 LOMHRPFFWOSILO-UHFFFAOYSA-N 327.453 2.625 30 40 EFEB C=CCOC[C@@H]1CC[C@H]2[C@H](CCN2C(=O)NCc2cccc(F)c2)O1 96186079 MJSPAHBPDAFLMQ-BZSNNMDCSA-N 348.418 2.860 30 40 EFEB C=CCN1C(=O)S/C(=C/c2cc3c(cc2[N+](=O)[O-])OCO3)C1=O 5846415 QOTYMXFKACCKAD-LFYBBSHMSA-N 334.309 2.546 30 40 EFEB N#Cc1cccc(C(=O)N2CCC(Oc3ncc(Cl)cn3)CC2)c1 1888863795 SAANXQHKGDBWCI-UHFFFAOYSA-N 342.786 2.685 30 40 EFEB O=c1[nH]ncc(N/N=C/c2ccccc2Cl)c1Br 4342141 PCLAGWMDJSABMS-LHHJGKSTSA-N 327.569 2.632 30 40 EFEB CC(C)[C@H](C#N)N1CCN(C(=O)c2scnc2C(C)(C)C)CC1 96446274 OXAAIEYWBSPVLB-ZDUSSCGKSA-N 334.489 2.747 30 40 EFEB CN(C)S(=O)(=O)/N=C(\O)[C@@H]1C[C@@H]1c1ccccc1C(F)(F)F 71822565 MGWNKWXWCBTQGN-NXEZZACHSA-N 336.335 2.572 30 40 EFEB COc1ccc([C@H](C#N)NC(=O)CO[C@@H]2CCC[C@@H](C)C2)c(OC)c1 71903058 RTKMWDSKZVYMRJ-UNEWFSDZSA-N 346.427 2.980 30 40 EFEB CC(=O)Nc1ccc2nc(NC(=O)c3ccc(C#N)[nH]3)sc2c1 95433638 RNBMYQMYBGNGSP-UHFFFAOYSA-N 325.353 2.707 30 40 EFEB CCNC(=S)N/N=C/c1ccccc1OCc1ccccc1C#N 33659790 WYILLKQSHNQAIZ-CIAFOILYSA-N 338.436 2.955 30 40 EFEB Cc1nccn1CCCCNC(=O)N[C@@H](C)c1ccc(C#N)cc1 96434276 NDNOPIQLAAOTMI-AWEZNQCLSA-N 325.416 2.904 30 40 EFEB COc1ccc2c(ccn2C/C(O)=N/c2nc([C@@H]3CCCO3)n[nH]2)c1 95475085 WPJDSHDUCQMAQJ-AWEZNQCLSA-N 341.371 2.908 30 40 EFEB COc1ccccc1OCC#CCNC(=O)COc1cccc(C)c1 90610374 OWNMMLHKHCHADU-UHFFFAOYSA-N 339.391 2.581 30 40 EFEB N#CC1(C(=O)NCc2cccc(N3CCCCC3=O)c2)CCCC1 56317404 LVPYSOIRDMWOIT-UHFFFAOYSA-N 325.412 2.904 30 40 EFEB N#Cc1cccc(C(=O)NCc2cc(-c3ccc4c(c3)OCO4)on2)c1 38754826 CFNHBIDHMHGWEW-UHFFFAOYSA-N 347.330 2.872 30 40 EFEB N=C1C(c2nc3ccccc3[nH]2)=C(O)CN1/N=C/c1ccccc1O 102726232 JKUAQXHETGIOFS-RICWVNQTSA-N 333.351 2.865 30 40 EFEB C=CCN1C(=O)N/C(=C/c2ccc(OC)c(Br)c2)C1=O 561104 IHPDQOZMLSVOCT-DHZHZOJOSA-N 337.173 2.536 30 40 EFEB C=CCN(C(=O)c1oc2ccccc2c1C)[C@@H]1CCS(=O)(=O)C1 58277586 CVVXAEIBQMODJR-CYBMUJFWSA-N 333.409 2.557 30 40 EFEB Cc1cc(C(=O)N(CCC#N)Cc2cccnc2)c2c(C)nn(C)c2n1 58332651 RFBAQCSVDLTWHO-UHFFFAOYSA-N 348.410 2.536 30 40 EFEB N#Cc1ccc(CN2C(=O)N[C@]3(CCc4ccccc43)C2=O)c(F)c1 10537229 YSOPBMLEXMAJDM-IBGZPJMESA-N 335.338 2.591 30 40 EFEB Cn1cc([C@H]2CN(c3ccc(C(F)(F)F)c(C#N)c3)CCO2)cn1 97145056 ZJAGEQPYLVADOO-OAHLLOKOSA-N 336.317 2.888 30 40 EFEB Cc1ccc(C#N)cc1NC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2 65620805 DSZOLAIWPQMHFW-UHFFFAOYSA-N 339.307 2.798 30 40 EFEB COc1ccc(C(=O)[C@H](C#N)c2nc3ccccc3[nH]2)cc1[N+](=O)[O-] 6650797 QAAWPSPJRNNXOM-NSHDSACASA-N 336.307 2.970 30 40 EFEB CCNC(=S)N/N=C/c1ccc(-c2cc(C(=O)O)ccc2C)o1 409374068 YKADSFGTHHDSMP-GIJQJNRQSA-N 331.397 2.771 30 40 EFEB CC(C)NC(=O)Cn1c(C#N)cc(N)c1Cc1ccc(Cl)cc1 225857682 RTUTVSGNOHKYQT-UHFFFAOYSA-N 330.819 2.711 30 40 EFEB OCCC/N=C(/O)Nc1ccc(OCC(F)(F)F)c(Cl)c1 330032175 JFCGNDQQARZTCO-UHFFFAOYSA-N 326.702 2.989 30 40 EFEB C=CCOC(=O)[C@@H]1CC=CC[C@H]1C(=O)Nc1ccc(NC(C)=O)cc1 5027313 ZTAVIYQYJMCSDZ-IAGOWNOFSA-N 342.395 2.895 30 40 EFEB C=CCNC(=O)c1ccccc1NC(=O)c1c(OC)cccc1OC 17071223 XGXVJZOEFJJCMC-UHFFFAOYSA-N 340.379 2.872 30 40 EFEB CCCCCCC[C@]1(C(=O)OCC)C[C@H](CSC(=N)N)OC1=O 100565118 ABCDBOKKOWMMLP-MLGOLLRUSA-N 344.477 2.839 30 40 EFEB N#C[C@@H](C(=O)/C=C/c1ccc2c(c1)OCO2)C(=O)NC1CCCCC1 103503893 XHHJUNZLURNMNB-VFADXPBXSA-N 340.379 2.586 30 40 EFEB CCc1nc(CN(C2CC2)S(=O)(=O)c2ccc(C#N)cc2)cs1 58005241 IVPOZUDKCVSCFF-UHFFFAOYSA-N 347.465 2.930 30 40 EFEB N#Cc1cccnc1NCCNC(=O)[C@@H]1C[C@H]1c1cccc(Cl)c1 58324919 AHMXYHBMXBWPHG-JKSUJKDBSA-N 340.814 2.938 30 40 EFEB COC(=O)c1ccccc1Cn1c(C)nnc1-c1cccc(C#N)c1 96009614 JXGLQGPHGCOXFE-UHFFFAOYSA-N 332.363 2.960 30 40 EFEB N#C[C@]1(c2nc3ccccc3c(=O)[nH]2)Cc2ccccc2N2CCC[C@H]21 6315880 NGQIFILLDVUJMD-GHTZIAJQSA-N 342.402 2.910 30 40 EFEB CCC(=O)N[C@@H](C(=O)N(C)Cc1ccc(C#N)cc1)c1ccccc1 66610564 ZMKUDMRJIGSTOY-LJQANCHMSA-N 335.407 2.784 30 40 EFEB Cc1nc(CN2CCCN(C(=O)c3ccc(C#N)cc3)CC2)cs1 71863979 CPFOPEJDGCISBK-UHFFFAOYSA-N 340.452 2.671 30 40 EFEB C=CCN1C(=O)C(=O)N(Cc2csc(C3CCCCC3)n2)C1=O 69419581 RFMUHXCEFFMXFL-UHFFFAOYSA-N 333.413 2.668 30 40 EFEB Cc1ccc(S(=O)(=O)N(CCC#N)[C@H](C)C2CC2)cc1[N+](=O)[O-] 69599263 KXMIHCMWAXOLNG-GFCCVEGCSA-N 337.401 2.606 30 40 EFEB C#CCOc1ccc(NC(=O)NCC[S@](=O)c2ccccc2)cc1 71911856 NVUPSJKWLIWPRE-XMMPIXPASA-N 342.420 2.628 30 40 EFEB CC/N=C(\NCC[C@@H]1CCCO1)NC[C@H]1CCO[C@@H]1C(C)(C)C 97011100 GPOXKQKDPGILJQ-PMPSAXMXSA-N 325.497 2.562 30 40 EFEB N#Cc1ccccc1OCC(=O)N1CCC[C@@H]1c1noc(C2CC2)n1 84497809 STJKOGHABXHVNK-CQSZACIVSA-N 338.367 2.561 30 40 EFEB Cc1ccccc1N=C[C@@H]1C(=O)NC(=O)N(c2ccccc2C)C1=O 408526879 HPECQFROLYNKHC-CQSZACIVSA-N 335.363 2.905 30 40 EFEB N#C[C@@]1(N)[C@H](c2cccc(Cl)c2)[C@@H]1S(=O)(=O)c1ccccc1 218427952 AOZAZCCRJDQADV-OWCLPIDISA-N 332.812 2.501 30 40 EFEB N#Cc1ccnc(N2CCC(COc3ccccn3)CC2)c1[N+](=O)[O-] 95414970 VHOTVFWQBSEKHE-UHFFFAOYSA-N 339.355 2.552 30 40 EFEB C[C@H]1[C@H](C(F)(F)F)CCCN1S(=O)(=O)c1ccsc1C#N 593579239 UMUMHTXOGJTYIK-DTWKUNHWSA-N 338.376 2.971 30 40 EFEB C=CCN(CC=C)S(=O)(=O)c1cc(Cl)c(NC(C)=O)cc1F 69351369 HGSJAPRAFKLAHE-UHFFFAOYSA-N 346.811 2.800 30 40 EFEB C=CCN1CCO[C@@H]2CCN(C(=O)c3cccc(Cl)c3)CC[C@@H]21 2055746361 UEXHGDKQVJITDT-DLBZAZTESA-N 334.847 2.831 30 40 EFEB CCCCCCCCCCCC(=O)N[C@@H](CCC(N)=O)C(=O)O 28539029 USMCNVFGYLZLGM-AWEZNQCLSA-N 328.453 2.742 30 40 EFEB in-vitro CCCCCCCCCCOC(=O)CN(C)[C@H]1CCS(=O)(=O)C1 100747814 ZEYPIBTZOKLGKS-INIZCTEOSA-N 347.521 2.789 30 40 EFEB CC(C)CN/C(O)=N/S(=O)(=O)c1cnccc1Nc1ccccc1 21984235 ZRXHMFXZUAUNLM-UHFFFAOYSA-N 348.428 2.674 30 40 EFEB C=C[C@H]1CN2CC[C@H]1C[C@@H]2CNS(=O)(=O)c1ccc(Cl)cc1 8300021 XXTIOPHTWLFTFB-KCQAQPDRSA-N 340.876 2.515 30 40 EFEB biogenic,in-vitro CSc1nc(O)c(C(=O)NCc2cc3ccccc3[nH]2)cc1C#N 57557635 ZWFPPSKUPZVOMD-UHFFFAOYSA-N 338.392 2.792 30 40 EFEB C[C@H](Sc1nnnn1C1CCCC1)C(=O)Nc1ccc(C#N)cc1 12791029 VEYDCCKDOGPFLY-NSHDSACASA-N 342.428 2.779 30 40 EFEB C=CCCC(=O)O[C@H]1CC(C)=C2C(=O)C=C(C)[C@@H]2[C@H]2OC(=O)[C@@H](C)[C@H]12 4027662 QPJQFSZMMQZIHF-WLKGZBLQSA-N 344.407 2.908 30 40 EFEB biogenic C=C(C)CN1CCN(c2nc3sc(C)c(C)c3c3ncnn23)CC1 13626404 HWIVITUXOGNSAS-UHFFFAOYSA-N 342.472 2.654 30 40 EFEB N#Cc1ccc(CN2CCCN(C(=O)[C@H]3C[C@@H]3c3ccco3)CC2)cc1 71835187 AFDAVNIYFBMXFN-OALUTQOASA-N 349.434 2.989 30 40 EFEB C=CCn1cnnc1SCC(=O)Nc1cc(Cl)ccc1F 8705523 VXQRWFZZLHLURY-UHFFFAOYSA-N 326.784 2.987 30 40 EFEB N#Cc1c(N)nc2c(c1N)[C@@H](c1ccccc1)c1ccc(N)cc1O2 36559229 JQWFUUWYBKUURD-HNNXBMFYSA-N 329.363 2.986 30 40 EFEB N#CCN(CC#N)S(=O)(=O)c1ccc(Oc2cccc(F)c2)cc1 225435492 UQOWOYPSEBQFHA-UHFFFAOYSA-N 345.355 2.656 30 40 EFEB N#Cc1cccc(N[C@@H]2CO[C@@]3(CCCN(Cc4ccccn4)C3)C2)n1 96048314 LQDCYOSCNOXXFJ-ICSRJNTNSA-N 349.438 2.584 30 40 EFEB N#Cc1cccc(CN2CCC3(CC2)NC(=O)C[C@H]3c2cccnc2)c1 96199709 UXBWOUJDTNCGBX-IBGZPJMESA-N 346.434 2.592 30 40 EFEB C=C[C@H](C)Sc1nc2c(c(=O)[nH]c(=O)n2C)n1CCCCCC 5397700 GKZTWSBGIWVTJM-NSHDSACASA-N 336.461 2.670 30 40 EFEB CCc1cnccc1C(=O)N1CCN([C@@H](C#N)c2ccccc2)CC1 158962916 ZIARHCALOZPCIG-IBGZPJMESA-N 334.423 2.667 30 40 EFEB CCC(=O)OCOc1ccc(/C=C2\CC[C@H](CN(C)C)C2=O)cc1 1625856 SMDDTKYJMPEYDY-RBFDBLARSA-N 331.412 2.900 30 40 EFEB C=C(C)CN(CC)C(=O)C(=O)Nc1ccc(-n2cc(C)cn2)c(F)c1 154660723 QYZHMMMNSSOHOL-UHFFFAOYSA-N 344.390 2.683 30 40 EFEB O=C1CS/C(=N/S(=O)(=O)c2ccccc2)N1C1CCCCC1 100887852 XHRCDZNPVIEJKL-FOCLMDBBSA-N 338.454 2.639 30 40 EFEB CN(Cc1ccc(C#N)cc1)C(=O)c1cccc(N2CCCC2=O)c1 32616746 VIZIGTVMQFBKQV-UHFFFAOYSA-N 333.391 2.957 30 40 EFEB Cc1cc(C(=O)[C@H](C#N)c2nc3ccccc3[nH]2)c2c(C)nn(C)c2n1 41494794 KDWPWDMTSVQKIL-ZDUSSCGKSA-N 344.378 2.952 30 40 EFEB N#C[C@@]1(NC(=O)c2ccc(F)c(Br)c2)CCSC1 79861027 CTIDWQFEWBWBRK-LBPRGKRZSA-N 329.194 2.717 30 40 EFEB CC[C@H]1S/C(=N/S(=O)(=O)c2ccc(Cl)cc2)N(CC)C1=O 4744553 XRUUIMMGSYNTQN-QORHXFOUSA-N 346.861 2.759 30 40 EFEB C=C(C)C[C@@H]1N(c2ccccc2C)C(=O)[C@H]2[C@@H](C(=O)O)[C@H]3C=C[C@@]21O3 100634725 INFSPPRSFZBLBY-DYWWHBPLSA-N 339.391 2.701 30 40 EFEB N#Cc1cccc([C@@H](c2nnnn2Cc2ccccc2)N2CCCC2)c1 57710389 YAVQNMBQXIPLNK-IBGZPJMESA-N 344.422 2.778 30 40 EFEB N#Cc1cccc(C(=O)Nc2ccnn2-c2ccc([N+](=O)[O-])cc2)c1 65547954 ZLHJFFWBALIDCJ-UHFFFAOYSA-N 333.307 2.904 30 40 EFEB CCN(CCC#N)c1ccc(/C=N/Nc2nc(C)cc(=O)[nH]2)c(C)c1 9403886 IEYQDFZDQPQRQW-UDWIEESQSA-N 338.415 2.573 30 40 EFEB N#Cc1ccnc(N2CCN(C(=O)C3CC(c4ccccc4)C3)CC2)c1 71833057 IXOAMULQQKQXMM-UHFFFAOYSA-N 346.434 2.796 30 40 EFEB C[C@H](/N=C(\NCc1ccccc1)NCc1nccs1)[C@H]1CCCO1 71804086 DAQPZCPHXOMVMA-GOEBONIOSA-N 344.484 2.946 30 40 EFEB N#C[C@@H](NC(=O)c1cc[nH]n1)c1ccc(OCc2ccccc2)cc1 69571270 MDSWVCQKSOQTPO-GOSISDBHSA-N 332.363 2.983 30 40 EFEB CC(=O)Nc1ccc(C)c(S(=O)(=O)N(CCC#N)[C@H](C)C2CC2)c1 69601763 CVCSRKDZYSVUMW-CYBMUJFWSA-N 349.456 2.656 30 40 EFEB N#C[C@H](Sc1nnc(C2CC2)n1CCC(N)=O)C1CCCCC1 71908682 QVJCGEWTXIIJDO-ZDUSSCGKSA-N 333.461 2.595 30 40 EFEB COc1ccccc1S(=O)(=O)N(CCC#N)c1ccc(F)cc1 69739262 UWCHKNDACYPCEF-UHFFFAOYSA-N 334.372 2.943 30 40 EFEB Cc1[nH]/c(=N\S(=O)(=O)c2cccc(Cl)c2C#N)sc1C 95959563 CZINQQVZXQJDEL-UHFFFAOYSA-N 327.818 2.508 30 40 EFEB Cc1cc(C)n(CC(=O)Nc2cccc(C(F)(F)F)c2)c(=O)c1C#N 21042602 HHNFNWFMVUGBGJ-UHFFFAOYSA-N 349.312 2.994 30 40 EFEB CC[C@H](CO)NC(=O)Cc1ccc(N[C@H]2CCC[C@@H](C#N)C2)cc1 249057497 ZDRWHMMOQSZYHM-NUJGCVRESA-N 329.444 2.610 30 40 EFEB O=C(NCC#CCOc1ccc2c(c1)OCO2)c1ccccc1Cl 90610499 BSQRMGYWKXHDEY-UHFFFAOYSA-N 343.766 2.881 30 40 EFEB N#Cc1ccc(NC(=O)[C@@H]2CSCN2C(=O)c2cccs2)cc1 69350300 VZRWFYYPZMZVSW-ZDUSSCGKSA-N 343.433 2.774 30 40 EFEB CC(=O)[C@@]12O[C@@H]1C[C@H]1[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@H](O)C[C@@]12C 26892125 XPOFTPYDSZJRKX-VOVZHTNUSA-N 344.451 2.826 30 40 EFEB in-vitro CN1CC[C@H](C(=O)[C@H](C#N)c2nc(-c3ccccc3)cs2)CC1=O 41522286 VAXCDKMBTLGQLL-KBPBESRZSA-N 339.420 2.855 30 40 EFEB CC(C)(C#N)CCC[S@](=O)c1ccc(C(=O)N2CCCC2)cn1 78987544 OMXWYCZIXLBSMP-HSZRJFAPSA-N 333.457 2.755 30 40 EFEB COc1cc(N2CCOCC2)ccc1C=C1C(=O)c2ccccc2C1=O 9264857 QIMGHWZTXUGRQV-UHFFFAOYSA-N 349.386 2.994 30 40 EFEB CCc1oc(C(=O)[C@@H](C#N)C(=O)NCc2ccc(OC)cc2)cc1C 102680593 CJEKNHXWDGHOLF-OAHLLOKOSA-N 340.379 2.798 30 40 EFEB C=CCNc1nc(C(=O)O[C@@H](C)C(=O)N2CCC(C)CC2)cs1 10134860 XJFBSOLAUUFCHR-LBPRGKRZSA-N 337.445 2.545 30 40 EFEB N#Cc1c(CCCNCc2ccc(-c3ccccc3F)o2)n[nH]c1N 44869569 NRZVFMHPCAMBLW-UHFFFAOYSA-N 339.374 2.985 30 40 EFEB CC(C)OCCC(=O)N[C@H](C#N)c1cccc(Br)c1 69483907 MAKXSYCSLWXFCD-CYBMUJFWSA-N 325.206 2.945 30 40 EFEB Cc1c(C(=O)N[C@@H](C)CC#N)cc(Br)cc1[N+](=O)[O-] 97147787 NYUWKRWURFRJDR-ZETCQYMHSA-N 326.150 2.698 30 40 EFEB Cn1cnc2cc(C(=O)[C@@H](C#N)c3nc4ccccc4n3C)ccc21 95456242 HIQWLWHQCUISCY-CYBMUJFWSA-N 329.363 2.950 30 40 EFEB Cn1cc(/C(O)=N/CCNC(=O)c2cccs2)c2ccccc21 32087984 CYJKHTCSZHZIIC-UHFFFAOYSA-N 327.409 2.974 30 40 EFEB COc1ccccc1OCCN1C(=O)/C(=N\O)c2cc(Cl)ccc21 46084765 MVRYSCRFIHDYMO-MNDPQUGUSA-N 346.770 2.953 30 40 EFEB C=C(C)CSCC(=O)N1CCC(C(=O)N2CCC[C@@H](C)C2)CC1 95418067 ROTAAEUXQFNQGX-OAHLLOKOSA-N 338.517 2.793 30 40 EFEB CCC[C@H](C#N)NC(=O)[C@H]1Cc2ccccc2O[C@@H]1C(F)(F)F 1614993971 MMSWXMRQDHBTSU-DYEKYZERSA-N 326.318 2.977 30 40 EFEB CC(C)=NN(C(=S)Nc1ccc(C)cc1)[C@@H]1CCS(=O)(=O)C1 575421452 QNPZEZHXRDJONR-CQSZACIVSA-N 339.486 2.577 30 40 EFEB N#C[C@H](C1CCCCC1)N1CCN(C(=O)C2(C#N)CCCC2)CC1 57233430 VBIGQKYXFWNMOI-QGZVFWFLSA-N 328.460 2.687 30 40 EFEB NC(=S)N/N=C\c1cn(-c2ccccc2)nc1-c1cccs1 5604635 QBKKUSGHAYXOHD-MFOYZWKCSA-N 327.438 2.768 30 40 EFEB C[C@H](Oc1ccc(C#N)cc1)C(=O)Nc1cccnc1N1CCCC1 40536345 MRYRKODQFDCDLY-AWEZNQCLSA-N 336.395 2.959 30 40 EFEB N#Cc1ccc([C@@H]2CC(=O)OC3=C2C(=O)c2ccccc2C3=O)cc1 101621348 NXMXHHHIGHKFBV-HNNXBMFYSA-N 329.311 2.922 30 40 EFEB COc1ccc(-n2c(Cn3cnc(C#N)n3)nc3ccccc32)cc1 44656739 UECZBNYLFAICQI-UHFFFAOYSA-N 330.351 2.546 30 40 EFEB CCc1nc(C/C(O)=N/S(=O)(=O)c2cccc(OC)c2)cs1 58188070 NXPLWAWUKHUUAA-UHFFFAOYSA-N 340.426 2.602 30 40 EFEB Cc1nn(Cc2ccc(OCC(F)(F)F)cc2)c(=O)c(C#N)c1C 47172145 HUQNISZCNMERBK-UHFFFAOYSA-N 337.301 2.721 30 40 EFEB N#Cc1ccccc1N1CCCN(C(=O)c2cccc3cn[nH]c23)CC1 47138818 BFLMJFPEGXFCNQ-UHFFFAOYSA-N 345.406 2.787 30 40 EFEB N#CCCn1ncc2c(NCCc3c[nH]c4ccccc34)ncnc21 65520003 WCVVLDCJKYQQNJ-UHFFFAOYSA-N 331.383 2.876 30 40 EFEB COC1=C(C(=O)c2ccccc2)N(C)S(=O)(=O)c2ccccc21 6658872 ZSXORSNATOEZBC-UHFFFAOYSA-N 329.377 2.519 30 40 EFEB Cc1cc(S(=O)(=O)/N=C(\O)CCn2cccn2)c(Cl)cc1F 95416870 FRAIAUCVDKKIHN-UHFFFAOYSA-N 345.783 2.720 30 40 EFEB N#Cc1cccc(OCc2ccoc2C(=O)NC2CCC(O)CC2)c1 71924340 HWSUMMUSADJXIG-UHFFFAOYSA-N 340.379 2.764 30 40 EFEB C#CCOc1ccc(CCNCc2cnc3c(c2)c(C)nn3C)cc1 69815753 IMNJSAKDMCHSIH-UHFFFAOYSA-N 334.423 2.621 30 40 EFEB Cc1ccc([C@@H](CNc2ncccc2C#N)N2CCOCC2)s1 72276389 KUVRRWXWZCYDEK-OAHLLOKOSA-N 328.441 2.809 30 40 EFEB CC/N=C(\NCc1ccccc1[N+](=O)[O-])N1CCC(OCC)CC1 95964409 BEYUYMNBTNXJCW-UHFFFAOYSA-N 334.420 2.561 30 40 EFEB CC[C@@H](C)Oc1cc(C)ccc1CN/C(=N/C)NCc1nccn1C 95975809 GNVAEQWFLDGVRX-OAHLLOKOSA-N 343.475 2.771 30 40 EFEB N#Cc1cc(C(F)(F)F)ccc1N1CCN(Cc2ccon2)CC1 95965245 SDVNQHYDXGTDIF-UHFFFAOYSA-N 336.317 2.887 30 40 EFEB N#CC1(C(=O)N2Cc3cc(-c4cc[nH]n4)ccc3[C@H]2c2cnco2)CC1 96087057 MHLHXNOCEIEKAV-KRWDZBQOSA-N 345.362 2.800 30 40 EFEB CC[C@H](Cc1cccc(Br)c1)/C(O)=N/S(C)(=O)=O 96409739 GAALMPYRTUHWAX-SNVBAGLBSA-N 334.235 2.934 30 40 EFEB CC[C@H](CO)NC(=O)Cc1ccc(N[C@@H]2CCC[C@@H](C#N)C2)cc1 249057492 ZDRWHMMOQSZYHM-JFIYKMOQSA-N 329.444 2.610 30 40 EFEB N#Cc1ccc(CNC[C@@H](c2ccc(F)cc2)N2CCOCC2)cc1 48324777 HXJCASYDLQZKNN-FQEVSTJZSA-N 339.414 2.860 30 40 EFEB CC[C@H](C#N)S(=O)(=O)N(C)Cc1sccc1Br 95439779 PSKOCLOCBKXSIM-MRVPVSSYSA-N 337.264 2.574 30 40 EFEB C=CCN1C(=O)/C(=C/c2ccc(OCC)c(OC)c2)C(O)=NC1=S 446757 KCCMTCCVNSRBFR-FMIVXFBMSA-N 346.408 2.747 30 40 EFEB C=C(C)COC(=O)[C@@H](NC(=O)c1cc(OC)cc(OC)c1)C(C)C 11780290 OWMWJMFHIJPDQP-INIZCTEOSA-N 335.400 2.578 30 40 EFEB O=c1oc2ccccc2cc1-c1csc(/C=N/N2CCOCC2)n1 1565194 CBBALGWDAUNOFH-VCHYOVAHSA-N 341.392 2.583 30 40 EFEB C=CCN1CC[C@]2(CN(C(=O)CCc3ccccc3F)C[C@H]2C)C1=O 1614932922 FBIKYXIMUPHRLY-FOIQADDNSA-N 344.430 2.641 30 40 EFEB C=CCc1cc(CN[C@H](C(N)=O)c2ccccc2)cc(OC)c1OC 51185740 ZZAWKJFMMMTJDQ-SFHVURJKSA-N 340.423 2.749 30 40 EFEB COC(=O)c1ccccc1NC(=O)Cn1cc(C#N)c2ccccc21 51319044 FQZXGOOZRNNBIH-UHFFFAOYSA-N 333.347 2.938 30 40 EFEB Cc1ccc(CNC(=O)[C@@H](C#N)C(=O)[C@@H]2COc3ccccc3C2)cc1 101162165 TXAMDMKIYFPYFR-ROUUACIJSA-N 348.402 2.571 30 40 EFEB Cc1cccc(NC(=O)[C@H](C#N)C(=O)COc2ccc(F)cc2)c1 103504096 WREYDOOZBMCDHC-MRXNPFEDSA-N 326.327 2.861 30 40 EFEB Cc1cc(C)c2cc(C(=O)OCC(=O)N[C@@](C)(C#N)C(C)C)[nH]c2c1 12568289 IKZRQKSLOSNNCD-IBGZPJMESA-N 341.411 2.996 30 40 EFEB N#CCNC(=O)c1cc(COc2c(Cl)cccc2Cl)on1 89768079 LKYWXLYCNVSZBV-UHFFFAOYSA-N 326.139 2.814 30 40 EFEB COCCN([C@H](C)C1CC1)S(=O)(=O)c1ccc(C#N)c(Cl)c1 58174133 WRCYQOSUUBXFIQ-LLVKDONJSA-N 342.848 2.647 30 40 EFEB C=CCOc1cccc(/C=N/N2C(=O)[C@@H]3[C@H]4C=C[C@@H](CC4)[C@H]3C2=O)c1 408591935 WNYQYYUAUCBDTJ-YDRNIYSNSA-N 336.391 2.783 30 40 EFEB C/C(=N\Nc1ccc(C(=O)O)cc1)c1ccc2c(c1)NC(=O)CO2 13186630 RKBMJRIEIORAGK-VXLYETTFSA-N 325.324 2.552 30 40 EFEB C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](CN4CCN(C)CC4)[C@H]3C[C@@H]12 19703407 LLAWFIRDWMEMEQ-ZMIKWESLSA-N 332.488 2.548 30 40 EFEB biogenic N#Cc1ccc(OC[C@H](O)CNC23CC4CC(CC(C4)C2)C3)cc1 6653245 QDRKDFMHWMILDG-ZCYBBYNQSA-N 326.440 2.856 30 40 EFEB N#CCc1ccc(NC(=O)C(=O)NC2(c3ccccc3)CCC2)cc1 69967697 DPKXXHYGHSRONV-UHFFFAOYSA-N 333.391 2.887 30 40 EFEB COc1cccc([C@H](C#N)NC(=O)c2cc3ccccn3c2)c1OC 97212727 VWRYXOOJTIVNOZ-INIZCTEOSA-N 335.363 2.951 30 40 EFEB N#C[C@@]1(CO)[C@H](c2cccc(Cl)c2)[C@@H]1S(=O)(=O)c1ccccc1 218363630 IOGHZKOBTKSAEG-IXDOHACOSA-N 347.823 2.782 30 40 EFEB C=CCN(c1ccc2c(c1)OCCO2)S(=O)(=O)c1ccccc1 224671152 ORCQGKDEHDJMLE-UHFFFAOYSA-N 331.393 2.839 30 40 EFEB COc1ccccc1N1CCC[C@H](NC(=O)C2(C#N)CCCC2)C1 96409308 BVVYWXQZMLDTFW-HNNXBMFYSA-N 327.428 2.864 30 40 EFEB N#Cc1ccc(N2CCC(C(=O)N3CCC[C@H]3c3ccc[nH]3)CC2)nc1 71818751 QTMFJLNLFTXQGU-SFHVURJKSA-N 349.438 2.861 30 40 EFEB CC[C@H](C)/N=C(/S)N1CCN(Cc2ccc3c(c2)OCO3)CC1 13522482 ZDKRRISQBLLVLG-ZDUSSCGKSA-N 335.473 2.617 30 40 EFEB C=CCOc1ccc(C(=O)N2CCC[C@@]3(C[C@@H](OC)CO3)C2)cc1 1565548685 HGJWKIUWMFLVDD-IEBWSBKVSA-N 331.412 2.662 30 40 EFEB O=S(=O)(/N=C(\O)c1ccccc1)c1ccc2c(c1)OCCCO2 42338893 YWBIYPCNOOBNJY-UHFFFAOYSA-N 333.365 2.541 30 40 EFEB CNc1ccccc1C(=O)/N=C(\N)Nc1nc(C)c2cccc(C)c2n1 1244720 PATPQHNQZPNGLI-UHFFFAOYSA-N 348.410 2.855 30 40 EFEB Cn1cc(S(=O)(=O)Nc2cccc(C#Cc3cccs3)c2)cn1 47992477 QMGVYTRFUGJWIZ-UHFFFAOYSA-N 343.433 2.682 30 40 EFEB COc1cc(/C=N/NC(=S)NC2CCCCC2)cc(OC)c1O 3261631 YSKDMDDYANLQOQ-LICLKQGHSA-N 337.445 2.540 30 40 EFEB CCOC(=O)c1ccc(N/N=C2/C(=N)N(C)N=C2c2ccccc2)cc1 3767576 JGCNEGDPTPKPER-KEIKGQSPSA-N 349.394 2.958 30 40 EFEB O=C(C[C@H]1S/C(=N/c2ccccc2)NC1=O)NCc1ccccc1 4549068 ALIMTTXCENDFRB-OAHLLOKOSA-N 339.420 2.612 30 40 EFEB COc1cccc([C@H](C)N2CCN(C[C@H](C#N)CCC#N)CC2)c1 69845054 GPXBFJGMIPYAEG-IRXDYDNUSA-N 326.444 2.817 30 40 EFEB C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@H]1O 118934968 KRJYQZVCFICBNU-FQNIFGPUSA-N 334.431 2.964 30 40 EFEB C=CCn1c(CCCC)nnc1SCC(=O)Nc1nccs1 408560685 NLWZRCJRUSCVHV-UHFFFAOYSA-N 337.474 2.994 30 40 EFEB N#Cc1cccnc1N1CCC(COc2cc3c(nn2)CCCC3)CC1 1565521968 GKVMCVYWTBOWSG-UHFFFAOYSA-N 349.438 2.917 30 40 EFEB CC(C)[C@H](C#N)NC(=O)[C@@H]1Cc2ccccc2O[C@H]1C(F)(F)F 602298694 LVAAQGCKPAAVHN-MBNYWOFBSA-N 326.318 2.833 30 40 EFEB CCOC(=O)Nc1ccc2c(c1)/C(=N\NC(N)=S)c1ccccc1-2 17354030 BSEFXBZJKBHWQM-HKWRFOASSA-N 340.408 2.821 30 40 EFEB C=C[C@](C)(O)[C@@H]1C[C@@H]2[C@]3(C)CCCC(C)(C)[C@@H]3[C@H](O)[C@H](O)[C@]2(C)O1 248040136 UNORIIWPFZFSEC-NIFXDIKSSA-N 338.488 2.655 30 40 EFEB biogenic,in-vitro N#Cc1ccc(CN2c3ccccc3N(C3CC3)S2(=O)=O)cc1 585147790 PMOIXGFSVINTKW-UHFFFAOYSA-N 325.393 2.792 30 40 EFEB N#Cc1nc(-c2cccc(Cl)c2)oc1NCCN1CCOCC1 20358154 STUZZFCFIZDTDF-UHFFFAOYSA-N 332.791 2.611 30 40 EFEB CC(C)[C@@](C)(C#N)NC(=O)CN1CCN(c2cccc(Cl)c2)CC1 34879019 BHTOZKHDLSEIMK-GOSISDBHSA-N 348.878 2.516 30 40 EFEB C/N=C(/NC[C@@H]1C[C@H]2CC[C@H]1O2)N1CC[C@@H](c2ccccc2C)C1 108355506 VBKPDDFTALUINZ-SFNKJDCFSA-N 327.472 2.927 30 40 EFEB CCCc1cc(=O)[nH]c(SCCC(=O)Nc2sccc2C#N)n1 12784113 LJIUDVGIRYMMTL-UHFFFAOYSA-N 348.453 2.776 30 40 EFEB CC(C)[C@](C)(C#N)NC(=O)[C@H](C)Sc1nnc(NC2CC2)s1 12899285 SSORXJCLTQPIBE-XPTSAGLGSA-N 339.490 2.647 30 40 EFEB N#Cc1ccc(CSc2nnc(NC(=O)[C@@H]3CCCO3)s2)cc1 2660825 RNCUSVTUNNPXRK-LBPRGKRZSA-N 346.437 2.820 30 40 EFEB CCOCCCNC(=O)C1CCN([C@@H](C)c2ccc(C#N)cc2)CC1 96411337 PMUONXVTGPFDER-INIZCTEOSA-N 343.471 2.874 30 40 EFEB C=CCn1c(C)nnc1SCCC(=O)Nc1ccccc1C#N 69570879 ASXRNFOBKHYRHD-UHFFFAOYSA-N 327.413 2.765 30 40 EFEB CCc1ccc([C@H]2[C@H](S(=O)(=O)c3ccc(C)cc3)[C@@]2(N)C#N)cc1 218457963 WJAUWXCKIULOMZ-GBESFXJTSA-N 340.448 2.718 30 40 EFEB C#Cc1cccc(N(Cc2cccs2)C(=O)CCn2cncn2)c1 78914970 FPKGUDVSLSGPOS-UHFFFAOYSA-N 336.420 2.944 30 40 EFEB CC/N=C(/NCc1ccn(-c2ccccc2)n1)NCc1ncccc1C 96484809 JDKGVLITVHZCCN-UHFFFAOYSA-N 348.454 2.831 30 40 EFEB COc1ccccc1N/C(N)=N\c1nc(-c2ccccc2)cc(=O)[nH]1 20028234 UBFOJZSPDVCYEI-UHFFFAOYSA-N 335.367 2.504 30 40 EFEB N#Cc1ccnc(O[C@H]2CCCN(C(=O)NCc3ccccc3)C2)c1 575611702 GIXRWIMXLNCFRW-KRWDZBQOSA-N 336.395 2.706 30 40 EFEB COC(=O)c1ccc(C(=O)Nc2ncccc2OCCCC#N)cc1 71186068 NRGGIVXZKTXDPK-UHFFFAOYSA-N 339.351 2.803 30 40 EFEB CCOCCC/N=C(/NCc1cc(C)on1)NCC(C)(C)SC 78988221 PREXDXAVMBMXCD-UHFFFAOYSA-N 342.509 2.586 30 40 EFEB C=CCOc1ccc(CN(C)C(=O)CNC(=O)c2ccoc2C)cc1 48181378 JVOUMGDGWDXBAB-UHFFFAOYSA-N 342.395 2.541 30 40 EFEB O=C(Nc1nncs1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 2737511 PUZDTFLINWTQAF-UHFFFAOYSA-N 347.162 2.945 30 40 EFEB C=CCn1c(SCc2ccccc2)nnc1[C@H]1CCS(=O)(=O)C1 14018170 BJOGSCBEAVOQDV-AWEZNQCLSA-N 349.481 2.659 30 40 EFEB N#C[C@H](NC(=O)CCCc1ccccn1)c1cnn(-c2ccccc2)c1 71903932 TVWVFTINIWBWES-IBGZPJMESA-N 345.406 2.971 30 40 EFEB C=CCn1c(=S)[nH]c2cc(C(=O)Nc3ccccn3)ccc2c1=O 9884865 QICWMUFKLHEBJY-UHFFFAOYSA-N 338.392 2.892 30 40 EFEB N#Cc1cc(F)ccc1NS(=O)(=O)c1cnn(-c2ccccc2)c1 97135120 RMEHOLARCUMMIR-UHFFFAOYSA-N 342.355 2.684 30 40 EFEB N#Cc1ccc(OCC(=O)N2CCC[C@H]2c2noc(C3CC3)n2)cc1 84383972 BTVMRGWWHLIOLY-HNNXBMFYSA-N 338.367 2.561 30 40 EFEB C#CCOc1cccc([C@H](C)NC(=O)N[C@H](C)c2cnn(C)c2)c1 95962465 BZNLRDHNJYZIMC-UONOGXRCSA-N 326.400 2.554 30 40 EFEB CN(C)c1ccc(C(=O)N2CCN([C@H](C#N)c3ccccc3)CC2)cc1 178596414 GLBAZHILYPNWBC-HXUWFJFHSA-N 348.450 2.775 30 40 EFEB CC(C)c1nnc(NS(=O)(=O)c2ccc(Cl)c(C#N)c2)o1 97379314 KMHANEBADIHKKO-UHFFFAOYSA-N 326.765 2.519 30 40 EFEB N#Cc1cccnc1OC1CCN(C(=O)NCc2ccccc2)CC1 96102878 ZPXUTRMIOHBPII-UHFFFAOYSA-N 336.395 2.706 30 40 EFEB Cc1cc(NS(=O)(=O)c2ccc(F)c(Cl)c2)n(CCC#N)n1 66247952 IJTYUHHXDVDLSL-UHFFFAOYSA-N 342.783 2.699 30 40 EFEB N#Cc1ccc(N2CCN(Cc3cn4ccccc4n3)CC2)c(F)c1 60197046 IHTVUHGVJQOQHC-UHFFFAOYSA-N 335.386 2.667 30 40 EFEB CCCn1c(C)cc(C(=O)CSc2nc(=O)[nH]c(C)c2C#N)c1C 32776388 GATGXZYDANBXRO-UHFFFAOYSA-N 344.440 2.753 30 40 EFEB C=CCNC(=O)CSc1nnc(-c2ccoc2C)n1CC(C)C 4860715 MROAKQIWBCNLKP-UHFFFAOYSA-N 334.445 2.897 30 40 EFEB C[C@@H](COCC(F)(F)F)NC(=O)N(C)Cc1cccc(C#N)c1 58292410 KLMWTYRKJMYJRL-NSHDSACASA-N 329.322 2.667 30 40 EFEB N#Cc1ccc(-n2nccc2NC(=O)c2cnc3ccccc3n2)cc1 171950049 MFJGXCFVACIXBD-UHFFFAOYSA-N 340.346 2.939 30 40 EFEB CCOc1ccc(C[C@@H]2S/C(=N/c3ccccn3)NC2=O)cc1 13425369 IHKFDNUVZIPCII-AWEZNQCLSA-N 327.409 2.942 30 40 EFEB aggregator COc1ccc(C(=O)/C=C/c2cc3c(c(OC)c2)OCC(=O)N3)cc1 96325950 LERZILDGTGAMIX-FPYGCLRLSA-N 339.347 2.931 30 40 EFEB CN(C)S(=O)(=O)c1ccc(Oc2ccc(C#N)cc2[N+](=O)[O-])cc1 69656349 ZLQQYENOKDTQIG-UHFFFAOYSA-N 347.352 2.509 30 40 EFEB COc1ccc(CN(CC(=O)N[C@@](C)(C#N)C(C)C)C2CC2)cc1 7662033 XOLZIIMOTACFGJ-IBGZPJMESA-N 329.444 2.714 30 40 EFEB CCCn1c(=O)c2sccc2n(Cc2ccc(C#N)cc2)c1=O 1565523346 LLDSUAZVOKABRN-UHFFFAOYSA-N 325.393 2.555 30 40 EFEB N#C[C@]1(N)[C@H](c2cccc(Cl)c2)[C@H]1S(=O)(=O)c1ccccc1 252513891 AOZAZCCRJDQADV-OAGGEKHMSA-N 332.812 2.501 30 40 EFEB N#CC1(CNC(=O)[C@@H]2CCN(C(=O)c3ccccc3)C2)CCCCC1 600104214 CIVQICNONKWCRL-QGZVFWFLSA-N 339.439 2.739 30 40 EFEB N#CCCCOc1cccc(NC(=O)CN2CCCCCC2=O)c1 55569897 RUQAMPDLSBPSLA-UHFFFAOYSA-N 329.400 2.710 30 40 EFEB CN(C)[C@@H](CN/C=C1\C(=O)Oc2ccccc2C1=O)c1cccs1 1547201048 RUEVSGBFYXZBII-ZVHGMHCTSA-N 342.420 2.626 30 40 EFEB CC(C)c1ncc(Cl)c(C(=O)N(CCC#N)C[C@H]2CCOC2)n1 84631220 RJIWTLFJZBFVQS-GFCCVEGCSA-N 336.823 2.646 30 40 EFEB CCCCc1nc(CN2CC[C@@H](CNc3ncccc3C#N)C2)no1 65496630 RPQUXKXWAGTXNS-AWEZNQCLSA-N 340.431 2.613 30 40 EFEB O=S(=O)(Cc1ccc(F)cc1)/N=C(\O)c1cccc2c[nH]nc12 48568590 RQBJUFURCGKNDG-UHFFFAOYSA-N 333.344 2.537 30 40 EFEB N#Cc1ccsc1NC(=O)CSc1nncn1-c1ccccc1 3543870 PXAOJYSMKDEHDF-UHFFFAOYSA-N 341.421 2.931 30 40 EFEB N#CCc1ccc(NC(=O)c2ccccc2CN2CCOCC2)cc1 97212589 RBHLKSZWXHJMAX-UHFFFAOYSA-N 335.407 2.837 30 40 EFEB C=CCN(Cc1ccc(C#N)cc1)[C@H]1CCN(CC(F)(F)F)C1=O 71897039 KOLMAAYLFFFTDP-HNNXBMFYSA-N 337.345 2.709 30 40 EFEB CN(CCc1ccccn1)C(=O)CNc1c(Cl)cccc1C#N 83861108 UGRVWVQJWAWBDR-UHFFFAOYSA-N 328.803 2.720 30 40 EFEB CCn1nc(C)cc1C(=O)N(CCC#N)c1ccc2c(c1)OCCO2 71900180 FZUFMDDYPXKQAE-UHFFFAOYSA-N 340.383 2.543 30 40 EFEB C=CCc1cc(C(=O)Nc2cccc(C(N)=O)c2)cc(OC)c1OC 8942578 NRPFXCANVJLPCF-UHFFFAOYSA-N 340.379 2.784 30 40 EFEB C#CCOc1ccc(NC(=O)N[C@H]2CCC[C@@H]([S@](=O)CC)C2)cc1 78577746 FHNJETLKEHLXLI-ICKUNSISSA-N 348.468 2.900 30 40 EFEB Cc1csc(CN(C)[C@H]2CCN(c3sccc3C#N)C2=O)n1 83198992 JQFPMOKGZQFWCH-LBPRGKRZSA-N 332.454 2.622 30 40 EFEB Cc1cc(C)c(NC(=O)CO/N=C(/N)Cc2csc(C)n2)c(C)c1 63456888 SDEYLJPMJPAINB-UHFFFAOYSA-N 346.456 2.847 30 40 EFEB C=CCn1c(SCCn2cncn2)nnc1-c1cccc(C)c1 96403481 GMBWPWLSCLOVOS-UHFFFAOYSA-N 326.429 2.823 30 40 EFEB CN(CC(=O)OC(C)(C)C)[C@H]1CCCN(c2cccc(C#N)n2)CC1 277403407 KYEXFNCOPYGYCN-INIZCTEOSA-N 344.459 2.586 30 40 EFEB Cc1nn(-c2cc(N(C)C[C@H](C)C#N)ncn2)c(C)c1Br 1615613416 VDLSHWBXLQAWQE-SECBINFHSA-N 349.236 2.638 30 40 EFEB CCOc1ccccc1NC(=O)CO/N=C(\N)Cc1ccccc1 40554239 ZIPLJYYRICDJLH-UHFFFAOYSA-N 327.384 2.555 30 40 EFEB Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H](C)c1ccc(F)cc1 12600242 XAARYWUHXXMJRZ-LBPRGKRZSA-N 341.386 2.813 30 40 EFEB Cc1ccc([C@@H](C)NC(=O)C2CCN(c3ccc(C#N)cn3)CC2)o1 44894505 NUWGCAFHJSINQW-CQSZACIVSA-N 338.411 2.949 30 40 EFEB Cc1c(NC(=O)c2ccc(C#N)cc2)c(=O)n(-c2ccccc2)n1C 2633855 JQYRYMBIKJLKLC-UHFFFAOYSA-N 332.363 2.608 30 40 EFEB COC(=O)c1ccc(OC(=O)[C@@H](C)Oc2ccc(C#N)cc2)cc1 13140754 AUTJCLQZMRRHDZ-GFCCVEGCSA-N 325.320 2.718 30 40 EFEB CCn1c(N/N=C/c2ccc(OCC(=O)O)cc2)nc2ccccc21 408692494 NSWAHZBXMYFGDK-YBFXNURJSA-N 338.367 2.966 30 40 EFEB COc1ccc(NC2=C(NC(C)=O)C(=O)c3ccccc3C2=O)cc1 4628638 DTQUQPAEYFZXBX-UHFFFAOYSA-N 336.347 2.534 30 40 EFEB N#CCCN(Cc1ccccn1)C(=O)C1=NO[C@H](c2ccccc2)C1 69511904 KTTXAWCTYLVTHA-SFHVURJKSA-N 334.379 2.841 30 40 EFEB CCOC(=O)[C@@H](Cc1ccccc1)N(C)C(=O)c1ccc(C#N)cc1 69659595 TUDUDCGRGDTUCA-GOSISDBHSA-N 336.391 2.805 30 40 EFEB C[C@@H](Cn1nc(-c2ccco2)ccc1=O)C(=O)Nc1ccccc1C#N 61984070 KRMRHHNGCSRDBJ-ZDUSSCGKSA-N 348.362 2.650 30 40 EFEB CS[C@H]1CC[C@H](N(C)CCS(=O)(=O)c2ccc(C#N)cc2)C1 96448416 LZDIOOAPKGVCRX-GJZGRUSLSA-N 338.498 2.548 30 40 EFEB CCN(C(=O)[C@@H]1Cc2ccccc2O[C@H]1C(F)(F)F)[C@H](C)C#N 602358867 YDNZEEFMMDXXED-MPKXVKKWSA-N 326.318 2.929 30 40 EFEB Cc1noc([C@@H](C)N2CCCN(Cc3ccc(C#N)cc3)CC2)n1 44586854 NREXBIYEXJYGSC-CQSZACIVSA-N 325.416 2.519 30 40 EFEB COCc1ccccc1C(=O)N1CCN(Cc2ccccc2)[C@H](C#N)C1 74673372 NAPMSSCZYKLEQW-LJQANCHMSA-N 349.434 2.683 30 40 EFEB O=S(=O)(N/N=C/c1cccc(Br)c1)c1ccccc1 3075194 RSBSJVPEAMDONA-XNTDXEJSSA-N 339.214 2.762 30 40 EFEB COC(=O)[C@H](CCC=O)N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C 21298491 WEDVERRTEUYROC-NSHDSACASA-N 345.392 2.679 30 40 EFEB N#CCNC(=O)c1cccn1-c1ncc(C(F)(F)F)cc1Cl 3133289 KZWZDWVSUFSTSE-UHFFFAOYSA-N 328.681 2.798 30 40 EFEB N#C[C@@H](C(=O)NC1CC1)C(=O)[C@H]1C[C@@H]1c1cccc(C(F)(F)F)c1 102759713 SOACJDFEQJYOHK-HZSPNIEDSA-N 336.313 2.796 30 40 EFEB N#Cc1cccc(C(=O)N2CCC(NC(=O)c3ccsc3)CC2)c1 56465485 RPQRUVADWKDTOH-UHFFFAOYSA-N 339.420 2.654 30 40 EFEB N#Cc1ccccc1NC(=O)COC(=O)Cc1c[nH]c2ccccc12 3220376 BAJOVIXCROVYOE-UHFFFAOYSA-N 333.347 2.764 30 40 EFEB CC(C)C/N=C1/NC(=O)[C@H](CC(=O)Nc2cccc(Cl)c2)S1 36308410 FCFPAIDXQGAZNZ-LBPRGKRZSA-N 339.848 2.912 30 40 EFEB CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)Sc1nnc(NC2CC2)s1 12899271 SSORXJCLTQPIBE-OTYXRUKQSA-N 339.490 2.647 30 40 EFEB C=CCn1c(C)nnc1SCC(=O)c1[nH]c(C)c(C(C)=O)c1C 3446828 JAGROQJAHMSDJA-UHFFFAOYSA-N 332.429 2.895 30 40 EFEB Cc1nccn1-c1ccc([C@@H](C)NC(=O)c2ccc(C#N)cn2)cc1 89735844 POWSNOPKSZQOCK-CYBMUJFWSA-N 331.379 2.938 30 40 EFEB COc1ccc([C@@H]2c3sc(=O)[nH]c3SC[C@@H]2C#N)cc1OC 4278717 VSOKLTZCAFJGTR-CABZTGNLSA-N 334.422 2.831 30 40 EFEB CC(C)(C)CN(CCC#N)S(=O)(=O)c1ccc2oc(=O)ccc2c1 65593567 AIGAIGPBQURGMN-UHFFFAOYSA-N 348.424 2.743 30 40 EFEB COc1ccc(S(=O)(=O)/N=C(\O)COC2CCCCC2)cc1C 66887224 BYICLSPCXDHXHW-UHFFFAOYSA-N 341.429 2.998 30 40 EFEB CN(Cc1ccc(C#N)cc1)C(=O)NCCN(C)C(=O)OC(C)(C)C 71803995 YXJUHSZIVDAXPM-UHFFFAOYSA-N 346.431 2.567 30 40 EFEB Cc1cc(I)ccc1NC(=O)NC[C@@H](C)C#N 84093250 ZMKFGAMNVWRQBQ-QMMMGPOBSA-N 343.168 2.881 30 40 EFEB CCc1nc2n(n1)CCC[C@H]2NC(=O)Nc1ccc(F)cc1C#N 88393259 YBHPASTVOMBNDA-CYBMUJFWSA-N 328.351 2.508 30 40 EFEB CN1C[C@H](NC(=O)c2cccc(CC#N)c2)CC[C@H]1C(F)(F)F 583620115 ZOHFIKODRRCHMJ-KGLIPLIRSA-N 325.334 2.508 30 40 EFEB Cn1cccc1[C@H]1CCCN1C(=O)NCCOc1ccc(C#N)cc1 74736603 SMQNJFWBFOEOLW-GOSISDBHSA-N 338.411 2.822 30 40 EFEB Cc1ccc(C(=O)NCC(=O)OCc2cc(C#N)ccc2F)cc1C 11316492 VQFXWWJVRGVRFI-UHFFFAOYSA-N 340.354 2.787 30 40 EFEB N#Cc1ccc(S(=O)(=O)N(Cc2ccco2)CC(F)(F)F)cc1 40461272 ZTRJDFMNEWPJDS-UHFFFAOYSA-N 344.314 2.904 30 40 EFEB O=C1C=C(NNS(=O)(=O)c2ccccc2)C[C@H](c2ccccc2)C1 270609 SKDOMKRZZVMUIO-HNNXBMFYSA-N 342.420 2.500 30 40 EFEB C=CCn1c(SCC(=O)N2CCCCC2)nnc1-c1ccncc1 339648 ZSGVVRFFQPMASY-UHFFFAOYSA-N 343.456 2.631 30 40 EFEB CC(C)(C(=O)NCCCNC(=O)c1ccccc1)c1cccc(C#N)c1 79871073 VXNSAMMULPAORD-UHFFFAOYSA-N 349.434 2.772 30 40 EFEB Cc1ccc(C)c(NC(=O)C[C@H]2S/C(=N\CC(C)C)NC2=O)c1 7883491 STWHYBVLULIYCU-CQSZACIVSA-N 333.457 2.876 30 40 EFEB C=CCNC(=O)[C@@H](C)Sc1nc2ccccc2c(=O)n1C1CC1 12869198 VCIHCEFHZZUJDL-LLVKDONJSA-N 329.425 2.514 30 40 EFEB C[C@]1(c2ccccc2)NC(=O)N(Cc2ccc(OCC#N)cc2)C1=O 65548357 NUHHDWYPHPTNML-LJQANCHMSA-N 335.363 2.556 30 40 EFEB C(=N/Nc1nnc2c(n1)[nH]c1ccccc12)\c1cccc2nccnc12 5576858 CANVJEDFGYTHSA-UFFVCSGVSA-N 340.350 2.895 30 40 EFEB CC(C)NC(=O)c1ccc(Cl)cc1NC(=O)c1cc(C#N)cn1C 81031941 GEDUHXJAYCMBMC-UHFFFAOYSA-N 344.802 2.941 30 40 EFEB CCN(CC#N)C(=O)c1nc(C2CC2)n(-c2ccccc2Cl)n1 69560543 KUUHNCKAQLLQAL-UHFFFAOYSA-N 329.791 2.784 30 40 EFEB N#Cc1cccc(S(=O)(=O)Nc2cccc(C(F)(F)F)n2)c1 69704129 QTUUCFBAXPOAQE-UHFFFAOYSA-N 327.287 2.773 30 40 EFEB N#Cc1ccc(F)c(CN2CCC(CC(=O)N3CCCC3)CC2)c1 71852354 QBUCVGNODWLKMY-UHFFFAOYSA-N 329.419 2.922 30 40 EFEB COc1ccc(CC(=O)Nc2nc(C)nn2-c2ccc(C#N)cc2)cc1 71916421 RKTKIMRLOHHQOS-UHFFFAOYSA-N 347.378 2.637 30 40 EFEB CCOC(=O)c1csc([C@H](C#N)C(=O)Nc2ccccc2F)n1 89984922 PNXQPWWXTDUBEA-SECBINFHSA-N 333.344 2.705 30 40 EFEB Cc1nn(C)c2ncc(NC(=O)NCc3cc(C#N)ccc3F)cc12 76069584 ZASCYTFYDNWGED-UHFFFAOYSA-N 338.346 2.609 30 40 EFEB Cc1ccc(S(=O)(=O)[C@@H]2[C@H](c3ccc(Cl)cc3)[C@@]2(N)C#N)cc1 218433226 RURPZEFAAXJVBA-BBWFWOEESA-N 346.839 2.809 30 40 EFEB CCCCn1nc(C(=O)Nc2cc(C#N)cn2C(C)(C)C)ccc1=O 78665227 NOSRRCGLEYHTTC-UHFFFAOYSA-N 341.415 2.724 30 40 EFEB Cc1ccc(S(=O)(=O)[C@@H]2[C@H](C#N)[C@H]2c2ccc3c(c2)OCO3)cc1 242463760 DJNZMLGMGAHQDY-ZTFGCOKTSA-N 341.388 2.803 30 40 EFEB CCC[C@H](C)CS(=O)(=O)NC(=O)[C@H]1C[C@H]1c1cccc(C#N)c1 245343967 WRBXPTBBEKGPQJ-RCBQFDQVSA-N 334.441 2.544 30 40 EFEB CCn1ccnc1[C@@H]1OCC[C@H]1CNc1c(C#N)nnc2ccccc12 596469864 GFSJYQVOMJAQEZ-SCLBCKFNSA-N 348.410 2.908 30 40 EFEB N#Cc1ccnc(N2CCC(COc3ccc(C4CC4)nn3)CC2)c1 1775995863 LQXYGPBUEPDWKS-UHFFFAOYSA-N 335.411 2.916 30 40 EFEB Cc1[nH]nc(NS(=O)(=O)c2cc(C(F)(F)F)ccc2F)c1C#N 97114314 HLPPRWXDCRSRHW-UHFFFAOYSA-N 348.281 2.549 30 40 EFEB O=C1[C@@H]2[C@@H]3C=C[C@H](CC3)[C@H]2C(=O)N1/N=C/c1ccc(Br)o1 169683752 PUQOAMYQHUAWOD-SLUPXLTLSA-N 349.184 2.573 30 40 EFEB CN(CCOc1ccccc1F)C(=O)COc1ccc(C#N)cc1 16112628 FSVTVRFWVLKROE-UHFFFAOYSA-N 328.343 2.614 30 40 EFEB N#Cc1ccc(NC(=O)N2CCC[C@@H]2c2nnc3ccccn23)cc1 40554974 AKNMOTKXTRZMER-OAHLLOKOSA-N 332.367 2.970 30 40 EFEB N#Cc1ccc(CN2CCCN(c3ncccc3[N+](=O)[O-])CC2)cc1 32853555 SGYLBIHVLVGWRV-UHFFFAOYSA-N 337.383 2.574 30 40 EFEB COCCCN1C(=O)C(=O)/C(=C(/O)c2ccco2)[C@@H]1c1ccccc1 102928973 XFTNDKXLLUHLJY-UYTDBDHRSA-N 341.363 2.738 30 40 EFEB Cc1c(C(=O)/C=C/c2cc(C#N)n(C)c2C)cnn1-c1ccccn1 78998993 OISYPZKDUMJYDB-BQYQJAHWSA-N 331.379 2.990 30 40 EFEB CCOC(=O)C1CCN(Cn2ccc(-c3ccc(C#N)cc3)n2)CC1 58246054 OXKSGDUGAWESAJ-UHFFFAOYSA-N 338.411 2.654 30 40 EFEB Cc1nnc(NC[C@@H](O)CO[C@H](C)c2ccccc2)c(C#N)c1C 44976153 QDBDFWIZQJXICR-GDBMZVCRSA-N 326.400 2.516 30 40 EFEB Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N(C)CC1CCCCC1 46576925 JOGAYUFCWFRYPE-UHFFFAOYSA-N 329.444 2.835 30 40 EFEB C=CCSc1nc(N2CCOCC2)c2c(c1C#N)CC(C)(C)OC2 13635098 GANBSBRPBYZHJL-UHFFFAOYSA-N 345.468 2.919 30 40 EFEB C=CCNC(=O)c1ccc(OCC(=O)N2[C@H](C)CCC[C@H]2C)cc1 15508818 FAOJWYPQTULUMG-HUUCEWRRSA-N 330.428 2.771 30 40 EFEB N#Cc1ccc(N2CCCN(Cc3cn4ccsc4n3)CC2)cc1 69349280 XXZDNXNQTHVOEC-UHFFFAOYSA-N 337.452 2.980 30 40 EFEB COc1cc(CC(=O)N[C@](C)(C#N)CC(C)C)cc(OC)c1OC 69434389 GXNNWROYIIFKRR-SFHVURJKSA-N 334.416 2.699 30 40 EFEB COc1ccc([C@@H]2C3=C(CC(C)(C)CC3=O)Nc3ncnn32)cc1O 18195949 OYQICWQXSFBKOR-MRXNPFEDSA-N 340.383 2.650 30 40 EFEB C#CCOc1c(Cl)cc(/C=N/n2cnnc2S)cc1OCC 408820713 ZJXJAUUPEYCTPV-CAOOACKPSA-N 336.804 2.513 30 40 EFEB CC[C@@H](C)NC(=O)CCNCc1ccc(OC)c(OCCCC#N)c1 69807782 XZEWIDXVKPCRRF-OAHLLOKOSA-N 347.459 2.772 30 40 EFEB N#Cc1ccnc(O[C@@H]2CCN(C(=O)/C=C/c3cccs3)C2)c1 253475409 SNLDCTLSIPMJNI-RDFMZFSFSA-N 325.393 2.708 30 40 EFEB CN(Cc1ccccc1)c1nn(-c2ccc([N+](=O)[O-])cc2)nc1C#N 256049137 YJFRYADXQKAHDT-UHFFFAOYSA-N 334.339 2.684 30 40 EFEB N#Cc1ccc(C(=O)NCCCN2CCO[C@@H](c3ccccc3)C2)cc1 17178567 REPWBXIWDPYBDK-HXUWFJFHSA-N 349.434 2.752 30 40 EFEB O=[N+]([O-])c1ccc2c(c1)/C(=N\O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1-2 100467852 CPGLUGPWOUGEJN-BUHFOSPRSA-N 330.212 2.618 30 40 EFEB COc1cc(C#N)ccc1OCC(=O)N1CCC(c2ccccc2)=N1 40460840 LUFMTWQKPUJSPD-UHFFFAOYSA-N 335.363 2.582 30 40 EFEB Cc1oc(-n2cccc2)c(C#N)c1C(=O)NC[C@@H]1Cc2ccccc2O1 32006626 YGRGZILFOMBUGH-HNNXBMFYSA-N 347.374 2.984 30 40 EFEB O=C(C[C@@H]1S/C(=N\C2CCCCC2)NC1=O)NCc1ccccc1 21133140 HUGDHDNEPUKJCW-HNNXBMFYSA-N 345.468 2.613 30 40 EFEB N#Cc1ccsc1C(=O)N1CCCN(C(=O)CC2CCCC2)CC1 78662508 DTHDAKBZBOTCJL-UHFFFAOYSA-N 345.468 2.875 30 40 EFEB COCCn1c(C)cc(C(=O)COc2ccc(C#N)cc2OC)c1C 3374617 GJDYRKWHUGKNOB-UHFFFAOYSA-N 342.395 2.893 30 40 EFEB N#Cc1ccccc1OCCn1cnc(-c2ccc([N+](=O)[O-])cc2)n1 84497823 WGYJANOZFFKMRE-UHFFFAOYSA-N 335.323 2.804 30 40 EFEB CCN(Cc1ccc(N(C)C)cc1)S(=O)(=O)c1ccccc1C#N 14099562 AOLAJKABDLLWOZ-UHFFFAOYSA-N 343.452 2.835 30 40 EFEB N#CC1(NC(=O)CN2CCO[C@@H](c3ccccc3Cl)C2)CCCC1 69594540 ZOKOYMURTLMOHG-MRXNPFEDSA-N 347.846 2.666 30 40 EFEB N#CCCN(c1ccccc1F)S(=O)(=O)c1cccc(C(=O)O)c1 71914677 VWJXNEJHTSUFTJ-UHFFFAOYSA-N 348.355 2.633 30 40 EFEB N#Cc1cccc(OCC(=O)N2CCC[C@@H]2c2noc(C3CC3)n2)c1 84374553 ZNKVWCZRLHKGTA-OAHLLOKOSA-N 338.367 2.561 30 40 EFEB CCn1cnnc1[C@@H]1CCCN(C(=O)Nc2ccc(CC#N)cc2)C1 95985633 WNROZGXPCNGNHE-OAHLLOKOSA-N 338.415 2.776 30 40 EFEB C/N=C(/NCc1ccc(C)nc1OC)NC[C@@H]1CCO[C@H]1C(C)(C)C 95963214 AHCRSNVMLYAVBA-GOEBONIOSA-N 348.491 2.515 30 40 EFEB Cc1cc(C)n([C@H](C)C(=O)NCc2nc(-c3cccc(C#N)c3)c[nH]2)n1 89591658 VKKKBJGYDNMPSE-CQSZACIVSA-N 348.410 2.639 30 40 EFEB CCn1cc([C@@H]2CN(C(=O)Nc3cccc(C#N)c3C)CCO2)cn1 192343515 ZZKGDQHKYFERIH-KRWDZBQOSA-N 339.399 2.689 30 40 EFEB C=CCCCN(C)S(=O)(=O)c1ccc(NC(C)=O)c(Cl)c1 96449235 WLJYQRWTSPFTBN-UHFFFAOYSA-N 330.837 2.885 30 40 EFEB N#Cc1ccccc1NC1CCN(CCO[C@H]2CCCCO2)CC1 585116136 IKWPBXTZEBTTQR-IBGZPJMESA-N 329.444 2.978 30 40 EFEB N#Cc1ccc(CNC(=O)N[C@@H]2COc3c(F)cc(F)cc3C2)cc1 1650524927 KLHZACIJKOJWLV-HNNXBMFYSA-N 343.333 2.639 30 40 EFEB C[C@H](CC#N)NC(=O)Nc1ccc(F)cc1I 161772708 OAPCAMXMFXDVRL-SSDOTTSWSA-N 347.131 2.854 30 40 EFEB COc1ccc(/C(O)=C2\C(=O)C(=O)N[C@@H]2c2cccc(F)c2)cc1 102932214 VWNZMHFBGBVUGO-DPEHCCBOSA-N 327.311 2.544 30 40 EFEB CS(=O)(=O)c1ccc(NC(=O)c2ccc(Cl)cc2)cc1C#N 3104734 NRHQHRZSWLUCTP-UHFFFAOYSA-N 334.784 2.867 30 40 EFEB N#Cc1ccc(NCC(=O)Nc2ccccc2C(=O)NC2CC2)cc1 12594251 XACPPMFPTYZOEW-UHFFFAOYSA-N 334.379 2.501 30 40 EFEB C[C@H](OC(=O)c1ccccc1O)C(=O)N(C)C1(C#N)CCCCC1 12567190 PFWMPQKUJVZVNC-ZDUSSCGKSA-N 330.384 2.622 30 40 EFEB N#CCSCC(=O)NCCc1ccc(F)c(Br)c1 55865812 GYFGDLKEKZIBPT-UHFFFAOYSA-N 331.210 2.504 30 40 EFEB C=CCn1c(S[C@H]2C=CCCC2)nnc1[C@@H]1CCS(=O)(=O)C1 84670716 HGRDJBZBOOIALJ-OLZOCXBDSA-N 339.486 2.567 30 40 EFEB N#Cc1cccc(NS(=O)(=O)c2cc(C(=O)O)ccc2Cl)c1 13341096 PXQWMEQGMPOWBE-UHFFFAOYSA-N 336.756 2.711 30 40 EFEB CCCCn1c(=O)c(CCC(=O)O[C@@H](C)C#N)nc2ccccc21 5335160 YXLIOSTZFHNBDW-ZDUSSCGKSA-N 327.384 2.584 30 40 EFEB C=CCNC(=O)c1ccccc1NC(=O)c1cnc2ccccc2n1 15609530 HJAQNMSOEDALMO-UHFFFAOYSA-N 332.363 2.798 30 40 EFEB Cc1ccc(C(=O)N[C@H](C#N)c2ccc(Cl)c(Cl)c2)c(=O)[nH]1 68457094 DHVREUHKPHOEJX-CYBMUJFWSA-N 336.178 2.985 30 40 EFEB C[C@](C#N)(NC(=O)CSc1nnc(-c2ccccc2)o1)C1CC1 8281697 LYWIGBFLILRSDX-MRXNPFEDSA-N 328.397 2.637 30 40 EFEB Cc1cc(C)n(C[C@H]2CCCCN2C(=O)Cc2ccc(C#N)cc2)n1 70019343 IQAYUWALGGCPMJ-LJQANCHMSA-N 336.439 2.995 30 40 EFEB CCN1CCC[C@H]1[C@@H]1CCCN1C(=O)COc1ccc(CC#N)cc1 69510236 QLCWNFNSHCZHPZ-OALUTQOASA-N 341.455 2.607 30 40 EFEB C=CCNC(=O)c1ccc(N(C)S(=O)(=O)c2ccccc2)c(C)c1 224187346 CRMFJVMXXDWSBQ-UHFFFAOYSA-N 344.436 2.736 30 40 EFEB COc1cccc([C@@H](NC(=O)c2cc(C#N)c[nH]2)c2cccnc2)c1 95406913 FMMMZAGLBAPDQA-GOSISDBHSA-N 332.363 2.809 30 40 EFEB N#Cc1cc(=N[C@@H](CO)c2cccc(C(F)(F)F)c2)[nH]c(C2CC2)n1 601208955 RWWDXRGVWWAZEM-AWEZNQCLSA-N 348.328 2.812 30 40 EFEB Cc1cc(CN=c2ccc(N3CCC(CO)CC3)c[nH]2)ccc1C#N 390835272 ITAKDGJYTPIDBJ-UHFFFAOYSA-N 336.439 2.504 30 40 EFEB N#Cc1ccc(NCCNC(=O)c2ccccc2Cl)cc1[N+](=O)[O-] 95964652 QDCSZNYQXKOJGD-UHFFFAOYSA-N 344.758 2.962 30 40 EFEB N#Cc1c(Br)nc(-c2cccc([N+](=O)[O-])c2)c(C#N)c1N 78549677 CZECEZFPZCRGSI-UHFFFAOYSA-N 344.128 2.745 30 40 EFEB N#Cc1ccc(S(=O)(=O)c2cnc3c(F)cccc3c2O)cc1 15828908 XHTLKMHTKJDCGW-UHFFFAOYSA-N 328.324 2.784 30 40 EFEB N#Cc1cccnc1N1CCC(COc2ccc(C3CC3)nn2)CC1 1775965821 LDDYZXOAHYMXSG-UHFFFAOYSA-N 335.411 2.916 30 40 EFEB N#Cc1cccc(C(=O)NCCn2ccn3nc(-c4ccco4)cc23)c1 206749393 OPXRPFWQWQZESK-UHFFFAOYSA-N 345.362 2.697 30 40 EFEB COCCN1C(=O)C(=O)/C(=C(/O)c2cccs2)[C@H]1c1ccccc1 102930894 MULRQEILRNYRTK-DPEHCCBOSA-N 343.404 2.816 30 40 EFEB N#Cc1ccc(S(=O)(=O)NCc2nc3ccccc3s2)cc1 25657316 IDTJJVOOXWGYPR-UHFFFAOYSA-N 329.406 2.646 30 40 EFEB C[C@@H](CC#N)Sc1ccccc1NC(=O)CN1CCOC[C@H]1C 95953646 KIZMJSMSEOXLAK-KGLIPLIRSA-N 333.457 2.740 30 40 EFEB CN(Cc1ccccc1F)Cc1nc2ccccc2c(=O)n1CC#N 58329035 GRXJJFNJIIWTIB-UHFFFAOYSA-N 336.370 2.691 30 40 EFEB O=C1[C@H]2[C@@H]3C=C[C@@H]([C@H]2C(=O)N1/N=C/c1ccc(Cl)cc1)C31CC1 100563392 GZALAPHOSCORED-DBZNJLBHSA-N 326.783 2.871 30 40 EFEB Cc1ccc(OCc2ccccc2C#N)c(S(=O)(=O)N(C)C)c1 48331628 KXBAOGIMKIAZCN-UHFFFAOYSA-N 330.409 2.696 30 40 EFEB Cc1nccn1-c1ncccc1NC(=O)[C@@H](C)Oc1ccc(C#N)cc1 47174657 HLNUHAJAKIOFPL-CYBMUJFWSA-N 347.378 2.853 30 40 EFEB N#C[C@@H](NC(=O)/C=C/c1ccc(C(N)=O)cc1)c1ccccc1Cl 95406182 HMSBBZUULQJKDW-OJXHRBAXSA-N 339.782 2.833 30 40 EFEB CC(C)Cc1n[nH]c(/N=C(\O)[C@H](C)N2Cc3ccccc3C2=O)n1 95475248 IPWYSGILDDQJSY-NSHDSACASA-N 327.388 2.636 30 40 EFEB CCNC(=S)N/N=C/c1ccc(-c2ccc(C)c([N+](=O)[O-])c2)o1 409370996 BWTRIJNRNMKJOL-RQZCQDPDSA-N 332.385 2.981 30 40 EFEB N#C[C@H](NC(=O)CCc1nncn1-c1ccccc1)c1ccccc1F 96430883 SLUCFBOUNNMQLI-KRWDZBQOSA-N 349.369 2.720 30 40 EFEB COC(=O)c1ccc(/C=C2/CS(=O)(=O)c3ccccc3C2=O)cc1 96792616 ZXNKRUAKQOYOMU-UVTDQMKNSA-N 342.372 2.527 30 40 EFEB N#CCCCOc1cccnc1NC(=O)c1ccc2c(c1)OCO2 69517564 JFNWSLVQZQZXRX-UHFFFAOYSA-N 325.324 2.745 30 40 EFEB Cn1cc(C#N)cc1C(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 91963600 TUMXKCHSDFDKRH-UHFFFAOYSA-N 349.144 2.820 30 40 EFEB CCCCCCCCN1C(=O)N(C)[C@H](N(O)C(=O)NC)C1(C)C 8686841 NKTGTVYDYJHUKC-CYBMUJFWSA-N 328.457 2.850 30 40 EFEB Cc1ccc(N2C(=O)NC(=O)[C@H](C=Nc3ccccc3F)C2=O)cc1 408527084 KGNKWEKYTZOASL-ZDUSSCGKSA-N 339.326 2.736 30 40 EFEB CCNC(=S)N/N=C/c1ccc(-c2cc(C(=O)OC)ccc2C)o1 33606264 LULZENOAQUKQCH-VXLYETTFSA-N 345.424 2.860 30 40 EFEB Cc1nn(-c2ccc(O)nn2)c2c1[C@@H](c1ccc(C#N)cc1)CC(O)=N2 31819075 BYDRLRWKIRGAQR-CYBMUJFWSA-N 346.350 2.672 30 40 EFEB N#Cc1ccc(OC(F)F)c(NC(=O)NCCc2ccccn2)c1 76544920 YQIMUDVTPYAZBJ-UHFFFAOYSA-N 332.310 2.919 30 40 EFEB O=C1[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@@H]34)[C@H]2C(=O)N1/N=C/c1ccc(Cl)cc1 222250726 RJMHKOAACSZNAE-JZOORYFWSA-N 326.783 2.727 30 40 EFEB N#Cc1cccc(N2C[C@]3(CCN(Cc4ccccn4)C3)CC2=O)c1 96238882 FONGJRHRZOMIBM-HXUWFJFHSA-N 332.407 2.582 30 40 EFEB CCO[C@@H]1C[C@H](NC2CCN(c3ccc(C#N)cn3)CC2)C1(C)C 96493387 YSUPNIFPKXLKQB-DLBZAZTESA-N 328.460 2.715 30 40 EFEB CCOC(=O)C(C)(C)COc1ccc(B2OC(C)(C)C(C)(C)O2)cc1 575442771 ZFMYVEYKWDBZNX-UHFFFAOYSA-N 348.248 2.954 30 40 EFEB O=S(=O)(/N=C(\O)COCc1ccccc1)c1cccnc1Cl 79029318 ZZURPZQFQIUVPK-UHFFFAOYSA-N 340.788 2.597 30 40 EFEB C[C@H](Nc1c(F)cc(C#N)cc1F)c1cccc(S(N)(=O)=O)c1 79016492 ULNDQOFRTDFKKW-VIFPVBQESA-N 337.351 2.657 30 40 EFEB O=C1/C(=C/c2ccco2)Oc2cc(OC(=O)N3CCOCC3)ccc21 541250 IAPVZMOBFFPVBV-YBEGLDIGSA-N 341.319 2.727 30 40 EFEB Cc1nc2ccccc2c(=O)n1/N=C/c1c[nH]nc1-c1ccccc1 1236971 YYKAIOWTGLZQLG-CIAFOILYSA-N 329.363 2.977 30 40 EFEB COc1ccc([C@@H]2c3sc(=O)[nH]c3SC[C@H]2C#N)cc1OC 548569 VSOKLTZCAFJGTR-SKDRFNHKSA-N 334.422 2.831 30 40 EFEB CS(=O)(=O)Cc1nc2ccccc2n1Cc1ccc(C#N)cc1 12530259 RVKBWIHOYWLGDA-UHFFFAOYSA-N 325.393 2.501 30 40 EFEB CCCCCCCCCCCCn1c(N)nc2c1c(=O)[nH]c(=O)n2C 3209310 ZCTLPOPNPJDFRK-UHFFFAOYSA-N 349.479 2.926 30 40 EFEB N#CCc1ccc(OC/C(O)=N/c2nc(-c3ccccn3)n[nH]2)cc1 58322938 YTLPMNCFCRITLE-UHFFFAOYSA-N 334.339 2.600 30 40 EFEB COC(=O)[C@H](NCCc1ccc2c(c1)CCO2)c1cccc(C#N)c1 95409266 VSKPNFJDIZVYCY-LJQANCHMSA-N 336.391 2.540 30 40 EFEB N#CCCN1CC[C@H](c2ccc(F)cc2)[C@@H](NC(=O)C(F)(F)F)C1 96496461 CXVYSMMJYPDHQA-KGLIPLIRSA-N 343.324 2.576 30 40 EFEB Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1/C=C/C(=O)c1ccccc1 8053637 CZJWTWQRDKGSAD-ROJDOSBLSA-N 344.436 2.756 30 40 EFEB N#Cc1ccc(Oc2cccc(C(=O)N3CCC[C@H](C(N)=O)C3)c2)cc1 69458238 VRNOQTMMPDZPRJ-INIZCTEOSA-N 349.390 2.688 30 40 EFEB N#Cc1ccc(OCC(=O)NCc2ccc(CN3CCCC3)cc2)cc1 8430034 YJAJVENRVJZOBN-UHFFFAOYSA-N 349.434 2.849 30 40 EFEB N#Cc1c[nH]c(C(=O)N2CCc3c(ncn3CCc3ccccc3)C2)c1 95986998 PDFUYZNWJAUPPX-UHFFFAOYSA-N 345.406 2.524 30 40 EFEB N#Cc1cccc(NC(=O)C(=O)N2CC[C@@H](c3cccc(F)c3)C2)c1 75128393 LWZGDYBHLHKSPO-OAHLLOKOSA-N 337.354 2.652 30 40 EFEB N#Cc1c(/C=C/c2ccco2)c(C(=O)O)nn(-c2ccccc2)c1=O 409197096 VTHSYTQLPZXAEA-CMDGGOBGSA-N 333.303 2.566 30 40 EFEB C#CCOc1ccc(C=C2C(=O)OC3(CCCCC3)OC2=O)cc1 408765870 BPCLWMMGYDWPRT-UHFFFAOYSA-N 326.348 2.842 30 40 EFEB COc1cc(C(=O)N2CCN([C@@H](C#N)C(C)C)CC2)ccc1Cl 195546333 GJKWVODVEVLFFU-HNNXBMFYSA-N 335.835 2.655 30 40 EFEB N#CC1(c2ccccc2)CCN(C(=O)[C@@H]2CCc3[nH]cnc3C2)CC1 225514019 ZVHKBJPXUWANIO-OAHLLOKOSA-N 334.423 2.599 30 40 EFEB CCC(CC)c1cc(C(=O)N2CCN([C@@H](C#N)C(C)C)CC2)on1 96423653 DKMHVPROWYMSLK-INIZCTEOSA-N 332.448 2.884 30 40 EFEB N#Cc1cncc(N2CCN(Cc3ccccc3)[C@H]3CCCC[C@@H]32)n1 585140151 ITSNNMOJPMHPCI-OALUTQOASA-N 333.439 2.982 30 40 EFEB C=CCNC(=O)[C@H]1C[C@@H]2CC[C@@]1(C)C[C@@]21NC(=O)c2ccccc2N1 12142479 ABGXFBMVSLDRIC-WJFKRZNGSA-N 339.439 2.667 30 40 EFEB CN(C)CCC(=O)C(=C/C=C\c1ccccc1)C(=O)CCN(C)C 17129977 NHDZBIGUKSFVIF-FLIBITNWSA-N 328.456 2.668 30 40 EFEB CC(=O)Oc1ccc(/C=N/c2cccc(N(C)S(C)(=O)=O)c2)cc1 19855736 NFKFXFZADDRMJH-LDADJPATSA-N 346.408 2.758 30 40 EFEB COc1cc([C@@H](C#N)NC(=O)CCc2ccco2)cc(OC)c1OC 60375821 GVOVJPVDMJWDHF-CQSZACIVSA-N 344.367 2.619 30 40 EFEB C[C@H](O)[C@]12O[C@H]1C[C@H]1[C@@H]3C[C@H]4O[C@@]45C[C@@H](O)CC[C@]5(C)[C@H]3CC[C@@]12C 118936545 RJABTWNZKWUIGQ-DIXDERLPSA-N 348.483 2.650 30 40 EFEB CCC[C@H](C#N)NC(=O)c1cc(Br)c2c(c1)OCCO2 69439624 RZMYEFOAVIBQBT-SNVBAGLBSA-N 339.189 2.642 30 40 EFEB O=S(=O)(C[C@H]1CCCCO1)/N=C(O)/C=C/c1ccc(F)cc1 71892452 UDAZGGVALZFJBA-VIIAAUOXSA-N 327.377 2.694 30 40 EFEB C[C@H]1CCC[C@@](C#N)(NC(=O)c2cnn(CCN3CCCCC3)c2)C1 73767045 QFWXUUGWCMYZQL-QFBILLFUSA-N 343.475 2.571 30 40 EFEB CCc1cc(C#N)c(NC(=O)c2cnc3cc(C)ccn3c2=O)s1 95990829 SRLYONILKBNXKW-UHFFFAOYSA-N 338.392 2.751 30 40 EFEB C=CCNC(=O)c1cc2c(N3CCCC3)nc(SC)nc2s1 408624984 WJZAHNDUXHSTGJ-UHFFFAOYSA-N 334.470 2.929 30 40 EFEB C=CCSc1ccccc1C(=O)N1CCN(C(=O)OCC)CC1 219798736 VWOUGOCETIMVEB-UHFFFAOYSA-N 334.441 2.879 30 40 EFEB CNC(=S)N/N=C\c1cccc(OCCOc2ccc(C)cc2)c1 35409444 VOHCTAGNZUZHKQ-MOSHPQCFSA-N 343.452 2.881 30 40 EFEB CC(C)[C@H](NC(=O)NCc1ccccc1)C(=O)O[C@H](CC#N)C1CC1 1646916339 ZTQINTCCGHCJLI-SJORKVTESA-N 343.427 2.746 30 40 EFEB C#C[C@H]1CN2CC[C@H]1C[C@@H]2COC(=O)Nc1ccc(C(C)=O)cc1 8300174 ZOWTXGDZAVTSPO-QILLFSRXSA-N 326.396 2.781 30 40 EFEB biogenic,in-vitro COc1ccc(/C(O)=C2\C(=O)C(=O)N(C)[C@H]2c2cccc(F)c2)cc1 102800154 OMVJESGTVYDFLF-UYTDBDHRSA-N 341.338 2.886 30 40 EFEB C[C@@H](CC#N)N(C)S(=O)(=O)/C=C/c1cccc(Br)c1 103496283 UZSSGRRDABQXHM-DJYGCBNOSA-N 343.246 2.984 30 40 EFEB C=CCSCC(=O)NC[C@H]1CCN(c2ccc(F)c(F)c2)C1 58289592 DDVKGRAZJFBXMK-GFCCVEGCSA-N 326.412 2.827 30 40 EFEB C#CCNC(=O)CN1CCC(C(=O)c2ccc(CC(C)C)cc2)CC1 36396307 YNHVKSSPJSQUHI-UHFFFAOYSA-N 340.467 2.529 30 40 EFEB C=CCn1c(C)cc(C(=O)CN2C(=O)N[C@@](C)(CCC)C2=O)c1C 48324611 UJOWHDYTMYYZMA-SFHVURJKSA-N 331.416 2.584 30 40 EFEB C=CCOc1ccc([C@H]2NC(=S)NC(C)=C2C(=O)OCC)cc1 14877620 BZQMLCVBYWPRFJ-OAHLLOKOSA-N 332.425 2.607 30 40 EFEB Cc1ccc(NC(=O)CN2C(=O)CS/C2=C/C(=O)C(C)(C)C)cc1 96514069 NIQBEZGOIJWIDL-RQZCQDPDSA-N 346.452 2.966 30 40 EFEB N#C[C@@H](NC(=O)c1ccc(CNC(N)=O)cc1)c1cccc(Cl)c1 69812020 VZKMNVSGQTUEDX-OAHLLOKOSA-N 342.786 2.503 30 40 EFEB Cn1ccnc1C[C@H]1CCCN(c2ccc([N+](=O)[O-])c(C#N)c2)C1 97145165 ICHZKAJTCYJPMZ-CYBMUJFWSA-N 325.372 2.659 30 40 EFEB N#CC1(CS(=O)(=O)N[C@@H]2CCCC[C@@H]2OCc2ccccc2)CC1 97144692 NKDXSWWXCOZQNH-SJORKVTESA-N 348.468 2.738 30 40 EFEB CCN(C[C@H](C)C#N)C(=O)CNc1ccc(-c2nccc(C)n2)cc1 89961053 ZOEBFSCSVQHJFN-CQSZACIVSA-N 337.427 2.872 30 40 EFEB N#Cc1cnc2c(Cl)cccc2c1N1CCN2C(=O)CC[C@H]2C1 567348082 RCBLTSKASJTMDT-LBPRGKRZSA-N 326.787 2.571 30 40 EFEB C[C@@H](C1CC1)N(CCC#N)S(=O)(=O)c1ccc(C(F)(F)F)nc1 96501181 TYVQJVCACVZKAY-JTQLQIEISA-N 347.362 2.803 30 40 EFEB CC(C)c1nc(NS(=O)(=O)c2ccc(C#N)c(Cl)c2)no1 96496327 MMEXHCDYDSJIRH-UHFFFAOYSA-N 326.765 2.519 30 40 EFEB N#Cc1ccc(C(=O)Nc2cc(-c3cccc(F)c3F)n[nH]2)nc1 79109710 ZVORFRTWZFHLHH-UHFFFAOYSA-N 325.278 2.874 30 40 EFEB C=CCN1C(=O)S[C@H](CC(=O)Nc2ccc(OCC)cc2)C1=O 16740563 HSUUTXOOUPZKEU-CYBMUJFWSA-N 334.397 2.664 30 40 EFEB COC(=O)C1=C(N)OC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1cccc(F)c1 62223 VJYVKZCFKBMULR-AWEZNQCLSA-N 345.370 2.926 30 40 EFEB CC(=O)N1CCc2cc(/N=C/c3cc([N+](=O)[O-])ccc3O)ccc21 242008 KZJAGSCNIGBCME-VCHYOVAHSA-N 325.324 2.960 30 40 EFEB C#Cc1cccc(NS(=O)(=O)c2ccc(/C=C/C(=O)O)cc2)c1 24346771 FCMDQDTYAOXNOB-DHZHZOJOSA-N 327.361 2.567 30 40 EFEB N#Cc1ccc(O)c(NC(=O)CCc2nc(-c3cccs3)no2)c1 72311688 MSKXDIUYCVTMCJ-UHFFFAOYSA-N 340.364 2.947 30 40 EFEB C=CCN1C(=O)c2ccc(C(=O)Nc3ccccc3OC)cc2C1=O 9315254 ZSDFSASJHFQEFH-UHFFFAOYSA-N 336.347 2.730 30 40 EFEB C=CCOC(=O)c1cccnc1Sc1nnnn1-c1ccccc1 5283124 GJYTXJSGDANCOY-UHFFFAOYSA-N 339.380 2.551 30 40 EFEB NC(=S)/C(=N/Nc1cccc(Cl)c1Cl)C(=O)N1CCCC1 4477732 MDFDHYBBVILBEC-WQRHYEAKSA-N 345.255 2.670 30 40 EFEB CC(=O)Nc1ccc(NS(=O)(=O)c2ccccc2C#N)cc1Cl 14097675 JEQRCQYEUHJPRW-UHFFFAOYSA-N 349.799 2.971 30 40 EFEB C=CCSCC(=O)NCCc1ccc(OC)c(OC(F)F)c1 65588112 SUTHCDPFYBOARF-UHFFFAOYSA-N 331.384 2.875 30 40 EFEB C=CCN/C(S)=N/N=C/c1cc(Br)cc(OC)c1O 7011556 ADYQOCLAAMKGHE-VIZOYTHASA-N 344.234 2.559 30 40 EFEB C=CCn1c(=N)n(CC(=O)c2ccc([N+](=O)[O-])cc2)c2ccccc21 19907550 JNSADBQVHSTMQE-UHFFFAOYSA-N 336.351 2.899 30 40 EFEB CN1CC[C@H](C(=O)N(CCC#N)C23CC4CC(CC(C4)C2)C3)CC1=O 133744744 ZDDBOFWOZLGZLW-FAKMSMKASA-N 343.471 2.566 30 40 EFEB CC/C(=N\OCc1ccccc1)NNS(=O)(=O)c1ccc(C)cc1 6021129 LIKSETAFMGGSDY-UHFFFAOYSA-N 347.440 2.718 30 40 EFEB N#Cc1c(N2C(=O)[C@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)sc2c1CCCCC2 102243310 VRJFXZRIQGZEKB-UXOAXIEHSA-N 342.420 2.555 30 40 EFEB Cc1cc(C(=O)OCCOc2ccc(C#N)cc2)c2c(C)noc2n1 32869390 BFJHCCNUSCYPFT-UHFFFAOYSA-N 337.335 2.947 30 40 EFEB C=CCN(CC=C)[C@@H](CNc1ccc(C(N)=O)cc1[N+](=O)[O-])C(C)C 23078789 CWPXYBCXTPCSMT-KRWDZBQOSA-N 346.431 2.804 30 40 EFEB CCOc1c(Br)cc(Cl)cc1NCC(=O)NCC#N 79020571 VWGNDJKMWGYYCU-UHFFFAOYSA-N 346.612 2.553 30 40 EFEB C=CCNC(=O)CSc1nnc2n1C(C)(C)Cc1ccccc1-2 4896329 XWUAMKMVCKQVPF-UHFFFAOYSA-N 328.441 2.631 30 40 EFEB C[C@H](NC(=O)COC(=O)c1ccc(C#N)cc1F)c1ccccc1 8221563 YLVCAYCRDXDLTD-LBPRGKRZSA-N 326.327 2.732 30 40 EFEB CS(=O)(=O)OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F 103624159 JERCLVJGDIHEJY-UHFFFAOYSA-N 342.179 2.821 30 40 EFEB N#Cc1ccc(C(=O)N2CCC3(CC2)CC(Nc2ncccn2)C3)cc1 108526136 SCFRKCBBNQHUFC-UHFFFAOYSA-N 347.422 2.845 30 40 EFEB Cc1cc(NC(=O)c2cccc(C#N)c2)ccc1N1CCN(C)CC1 48326484 HNGCDZUGTQZOGL-UHFFFAOYSA-N 334.423 2.871 30 40 EFEB COc1ccccc1/C=N/N=C1\NC(=O)[C@@H](Cc2ccccc2)S1 12843699 KDMKCGBLJQDSSF-PUMYGXPMSA-N 339.420 2.859 30 40 EFEB CC(=O)c1cc(C#N)c(S[C@@H](C)C(=O)Nc2cc(C)on2)nc1C 12880895 RJVQUOISZMKDGQ-NSHDSACASA-N 344.396 2.880 30 40 EFEB Cc1ccc(-c2nn(CCC#N)cc2C(=O)N2CCOCC2)cc1C 5000338 WEIFWDIAMMNGQR-UHFFFAOYSA-N 338.411 2.553 30 40 EFEB CC(C)[C@@](C)(C#N)NC(=O)CSc1nnc(C2CC2)n1C1CC1 7903119 LJXYUHURFPRYES-MRXNPFEDSA-N 333.461 2.637 30 40 EFEB C(=N/Nc1nc2ccccc2[nH]1)\c1ccc(N2CCOCC2)s1 8132814 WBMVAKLKEZSETJ-GZTJUZNOSA-N 327.413 2.907 30 40 EFEB CCC(=O)N1CSC[C@@H]1C(=O)Nc1sc2c(c1C#N)CCCC2 69584498 NJZWZLBSCWTKGR-GFCCVEGCSA-N 349.481 2.749 30 40 EFEB Cc1c(C(=O)[C@@H](C#N)c2nc3ccccc3[nH]2)cnn1-c1ccccn1 89545030 SXXGZYHUXLKZHM-CYBMUJFWSA-N 342.362 2.942 30 40 EFEB C=CCNC(=O)c1ccccc1N(C)S(=O)(=O)c1ccc(C)cc1 409184377 WOQAAGXVUCNHMC-UHFFFAOYSA-N 344.436 2.736 30 40 EFEB Cc1ccc(N2C(=O)[C@@H](/C=N\c3ccccc3)C(=O)NC2=S)cc1 408765430 VWPLNISHVWXAID-VUQQOUJSSA-N 337.404 2.761 30 40 EFEB N#Cc1ccc(C(=O)N2CC[C@@H]3[C@@H]2CC(=O)N3c2ccsc2)cc1 97954357 WZKZTSMZRSCWFC-CVEARBPZSA-N 337.404 2.640 30 40 EFEB CCCn1nnnc1/N=C(O)/C=C/c1ccc(Cl)c([N+](=O)[O-])c1 569513 QVMQWJPDVYJUMY-GQCTYLIASA-N 336.739 2.946 30 40 EFEB O=[N+]([O-])c1ccc(O)c(/C=N/c2ccccc2N2CCOCC2)c1 3191564 QMMLBSGCPDSRIF-LDADJPATSA-N 327.340 2.888 30 40 EFEB CCNC(=O)C[C@@H]1S/C(=N\c2ccc(C)c(C)c2)N(CC)C1=O 5795290 OIXPCNIBIZYRAA-STGLLQLASA-N 333.457 2.781 30 40 EFEB Cc1cccc2c1NC(=O)/C2=N\Nc1nnc2c(n1)[nH]c1ccccc12 13549337 DBARRONBACUHRJ-UHFFFAOYSA-N 343.350 2.583 30 40 EFEB COc1cccc([C@H]2C(C(C)=O)=C(O)C(=O)N2Cc2cccnc2)c1 78025 RUPSKLXIUSAVHN-KRWDZBQOSA-N 338.363 2.575 30 40 EFEB biogenic O=C(C[C@@H]1S/C(=N/c2ccc(O)cc2)NC1=O)Nc1ccccc1 12658259 ZWZBVWDETODANW-AWEZNQCLSA-N 341.392 2.640 30 40 EFEB Cc1ccc([C@H](NCCC(=O)N(CC#N)CC#N)c2ccccc2)cc1 58342392 SWORMXSTCWCQHW-OAQYLSRUSA-N 346.434 2.940 30 40 EFEB CCCCCCC(=O)N(O)[C@@H]1CC(=O)N(c2ccc(C)cc2)C1=O 5120487 YGYWXJBHSBZDDQ-OAHLLOKOSA-N 332.400 2.815 30 40 EFEB aggregator CC/C=C(\C)C(=O)NS(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1 96295091 NFUAPKYCWQBYAP-RUDMXATFSA-N 346.330 2.738 30 40 EFEB N#Cc1ccc(N2CC[C@H](Nc3ccc(F)c([N+](=O)[O-])c3)C2=O)cc1 81082817 VTICHZMTVXVYJT-HNNXBMFYSA-N 340.314 2.823 30 40 EFEB COc1ccc(C(=O)C2=C(O)C(=O)N[C@@H]2c2ccc(F)cc2)cc1 16976570 ZOCJGFSHYFFSTH-OAHLLOKOSA-N 327.311 2.700 30 40 EFEB N#Cc1cnn(-c2cccc(C(=O)N3CCCc4ccccc43)c2)c1N 69737253 TYIRJQGZPJWOFX-UHFFFAOYSA-N 343.390 2.919 30 40 EFEB Cc1ccc(-c2nc(C#N)c(S(=O)(=O)N3CCCCC3)o2)cc1 98086543 MVQJZGIPJOUZGK-UHFFFAOYSA-N 331.397 2.696 30 40 EFEB Cn1cnnc1C1CCN(c2ccc(Br)cc2C#N)CC1 97083787 RXULNBZMJDNSHA-UHFFFAOYSA-N 346.232 2.833 30 40 EFEB N#Cc1ccc(CCC(=O)N[C@H]2CCN(Cc3ccsc3)C2)cc1 675008264 MTTSLWZSTZGCNI-SFHVURJKSA-N 339.464 2.943 30 40 EFEB COC(=O)c1cnn2c1NC1=C(C(=O)CCC1)[C@H]2c1ccccc1F 49549979 YOFHFDJICSPSHO-MRXNPFEDSA-N 341.342 2.831 30 40 EFEB N#C[C@H](C(=O)NCc1ccccc1)C(=O)c1ccc(Br)o1 100871148 GGOBRZPCVTUCSH-NSHDSACASA-N 347.168 2.681 30 40 EFEB N#CC1(c2ccccc2)CCN(S(=O)(=O)c2ccc(N)cc2)CC1 6756917 VGAFSHVILANBRL-UHFFFAOYSA-N 341.436 2.515 30 40 EFEB C=C[C@@H](O)C#CC#CCCCCCCC/C=C\[C@@H](O)COC(C)=O 31162131 QOFRZLPEVGHKCQ-LUUWGXKQSA-N 332.440 2.751 30 40 EFEB biogenic,in-vitro Cc1cc(N(CCC#N)C(=O)Cn2cnc([N+](=O)[O-])c2)ccc1Cl 31804814 OZSHJOHBCPZCBT-UHFFFAOYSA-N 347.762 2.700 30 40 EFEB COCCN1C(=O)C(=O)/C(=C(/O)c2ccc(C)o2)[C@@H]1c1ccccc1 102804465 DHYIKFDZABNONX-UYTDBDHRSA-N 341.363 2.656 30 40 EFEB N#C[C@@]1(NC(=O)c2ccc(-c3nc(C4CC4)no3)cc2)CCSC1 79050166 HWROBFOGKCPOHT-KRWDZBQOSA-N 340.408 2.743 30 40 EFEB N#CCCN(C(=O)COC(=O)c1ccccc1O)c1ccc(F)cc1 3523531 ULWNOAUBFHRBAT-UHFFFAOYSA-N 342.326 2.635 30 40 EFEB N#Cc1ccc(-c2nc3ccc(Br)cc3c(=O)n2O)cc1 1382212 HVVKADDIBUZARF-UHFFFAOYSA-N 342.152 2.935 30 40 EFEB N#Cc1cccc(NC(=O)CCC(=O)N2CCC(c3ccccc3)=N2)c1 12906989 FIZDNGXWMRAXQD-UHFFFAOYSA-N 346.390 2.914 30 40 EFEB COc1cc(/C=N/N2C(=O)C[C@H]2c2ccccc2)cc(OC)c1O 71282783 VUNZPNGXWQFRPJ-YRIIZNAFSA-N 326.352 2.717 30 40 EFEB Cc1csc([C@H]2CN(CCOc3ccccc3C#N)CCO2)n1 65466814 DSBFBPXFFSKSBP-MRXNPFEDSA-N 329.425 2.776 30 40 EFEB N#Cc1ccc(/C=C(/C(=O)N2CCCCC2)n2ccccc2=O)cc1 4677316 WIMJCSWPVJFQBP-JXAWBTAJSA-N 333.391 2.731 30 40 EFEB C=CCn1c(S[C@H](C)C(=O)O)nnc1-c1ccc([N+](=O)[O-])cc1 19854485 JJSVBWHTSKNPIK-SECBINFHSA-N 334.357 2.605 30 40 EFEB Cc1c(C(=O)NC2(C#N)CCC2)cc(Br)cc1[N+](=O)[O-] 97094603 APJOSFHGUVBRRN-UHFFFAOYSA-N 338.161 2.842 30 40 EFEB COCC(=O)Nc1ccc(OCc2cn3ccccc3c2C#N)cc1 89409668 AMXHXGFYXKIFBE-UHFFFAOYSA-N 335.363 2.975 30 40 EFEB Cc1cc(/C=N/Nc2ncccc2[N+](=O)[O-])ccc1N1CCOCC1 409101555 YZJNPMSOVFEXOI-XDHOZWIPSA-N 341.371 2.581 30 40 EFEB CC(=O)N[C@@]1(c2nc(C)cs2)CCN(c2ccc(F)cc2C#N)C1 548662030 GUUYRIYEWRVIJI-KRWDZBQOSA-N 344.415 2.704 30 40 EFEB N#CC1(C#N)[C@@H](S(=O)(=O)c2ccccc2)[C@@H]1c1ccc(F)cc1 218365678 QDFNBEBNDYVNPA-HOTGVXAUSA-N 326.352 2.799 30 40 EFEB N/C(=N/Cc1ccco1)NCc1ccc(-n2cnc3ccccc32)nc1 69808875 QISUIGFXEVLZTF-UHFFFAOYSA-N 346.394 2.618 30 40 EFEB C=CCN(c1ccc(C(=O)NCC2=CCCCC2)cc1)S(C)(=O)=O 223923063 PZNRYLPMFWEZMU-UHFFFAOYSA-N 348.468 2.869 30 40 EFEB Cc1cccc(OCCN2C(=O)/C(=N\O)c3cc([N+](=O)[O-])ccc32)c1 46084752 SLZTYNFRWAYYHB-VLGSPTGOSA-N 341.323 2.507 30 40 EFEB Cc1cc(C)c(C#N)c(SCCn2c(=O)oc3cccnc32)n1 89526882 ZIYFIRRIINRSCI-UHFFFAOYSA-N 326.381 2.665 30 40 EFEB COc1ccccc1OCC#CCNC(=O)c1sc(C)nc1C 90610388 GCBZQPMEWIPLKZ-UHFFFAOYSA-N 330.409 2.581 30 40 EFEB CN(Cc1cccs1)C(=O)CN(C#N)c1ccc(F)c(C#N)c1 96436673 AGXDHSLDZKFJRC-UHFFFAOYSA-N 328.372 2.705 30 40 EFEB CO[C@H](C)c1nc(CNC(=O)NCCc2cccc(C#N)c2)cs1 252499178 RWQOYLZTMABDFP-GFCCVEGCSA-N 344.440 2.764 30 40 EFEB C[C@@](O)(CNC(=O)NCc1ccc(C#N)cc1)c1ccccc1Cl 164088925 JCASQLGFAGZSGE-GOSISDBHSA-N 343.814 2.919 30 40 EFEB COc1ccc([C@H](C#N)NC(=O)Cc2ccc(F)c(F)c2)c(OC)c1 87303484 UFNBRVZJEDPPEW-INIZCTEOSA-N 346.333 2.906 30 40 EFEB COc1cc(/C=N/O)ccc1OS(=O)(=O)c1ccc(Cl)cc1 20228723 QXMUGIJNPMRFLX-CXUHLZMHSA-N 341.772 2.924 30 40 EFEB C#CCOc1cc([C@H]2SCC(O)=Nc3n[nH]cc32)ccc1OC 20730381 QCKGTYOYRMDFLH-OAHLLOKOSA-N 329.381 2.855 30 40 EFEB Cc1nc(CN2CCN(CCOc3ccc(C#N)cc3)CC2)cs1 22812653 TVXBYNNYJVPMJS-UHFFFAOYSA-N 342.468 2.520 30 40 EFEB CSc1nc(N)nc(SCC(=O)Nc2ccccc2C)c1C#N 3088903 BAJKPYAZZBFBKI-UHFFFAOYSA-N 345.453 2.692 30 40 EFEB C[C@H](Cc1cccc(F)c1)NC(=O)C(=O)Nc1ccc(F)c(C#N)c1 95398423 RDWYCPWZYBODRQ-LLVKDONJSA-N 343.333 2.522 30 40 EFEB CCOC(=O)C1=C(N)OC2=C(C(=O)CCC2)[C@@H]1c1c(F)cccc1F 35323997 FXZYOPGHGKTXBB-HNNXBMFYSA-N 349.333 2.819 30 40 EFEB N#C[C@H](c1ccc(O)cc1)N1CCN([C@H](C#N)c2ccc(O)cc2)CC1 20413684 FBVIADFSDASDEA-WOJBJXKFSA-N 348.406 2.545 30 40 EFEB CCOc1cccc(/C=N/NS(=O)(=O)c2cc(C)ccc2C)c1O 2654264 ZJYGFZOHAWNURM-WOJGMQOQSA-N 348.424 2.720 30 40 EFEB C#CCn1cc(/C=C2/SC(=O)N(CCOC)C2=O)c2ccccc21 409140271 QWVOQIOMLNAKQI-LFIBNONCSA-N 340.404 2.957 30 40 EFEB CC(C)(C)OC(=O)N1CCC[C@@H](CNC(=O)c2ccc(C#N)cc2)C1 69414672 IXMCQMPCHHRWHV-HNNXBMFYSA-N 343.427 2.935 30 40 EFEB COc1ccccc1NC(=O)c1sc2nc(N)c(C#N)cc2c1N 18240961 QLMJTGYGIRRMPY-UHFFFAOYSA-N 339.380 2.593 30 40 EFEB N#Cc1ccc(NC2CCN(C(=O)c3ccoc3)CC2)c([N+](=O)[O-])c1 24207037 OTPVEWIIZIMPNA-UHFFFAOYSA-N 340.339 2.776 30 40 EFEB Cc1cc(S(=O)(=O)/N=C(\O)c2scnc2C)c(F)cc1F 97013640 CBNBBXSQJYTLLU-UHFFFAOYSA-N 332.353 2.732 30 40 EFEB N#Cc1ccccc1CO/N=C\c1cc2c(cc1[N+](=O)[O-])OCO2 408595610 XMOZBHFGHDXAEW-LSCVHKIXSA-N 325.280 2.746 30 40 EFEB C[C@](C#N)(NC(=O)CN(CCc1ccc(F)cc1)C1CC1)C1CC1 72287009 SSQBCCIPKMTMJE-LJQANCHMSA-N 329.419 2.641 30 40 EFEB N#Cc1ccnc(OC[C@H]2CCCN(C(=O)CCC(F)(F)F)C2)c1 1776002019 YQSOHHFQACXFIB-ZDUSSCGKSA-N 341.333 2.913 30 40 EFEB Cn1cc(-c2cc(CNC(=O)CCc3ccc(C#N)cc3)ccn2)cn1 575618898 QQNBAUQLDPMQKF-UHFFFAOYSA-N 345.406 2.603 30 40 EFEB N#Cc1ccccc1OCC(=O)Nc1ccc(Br)cn1 20304795 PJEHZXGKKQLEMU-UHFFFAOYSA-N 332.157 2.733 30 40 EFEB N#Cc1ccc(N2CCC(C(=O)N[C@H]3CCc4ccccc43)CC2)nc1 24032308 VXZDVLDYWQDLMX-IBGZPJMESA-N 346.434 2.973 30 40 EFEB NC(=S)N/N=C/c1cn(Cc2cnc(Cl)s2)c2ccccc12 1399321 DZHGUJMNRAGOTE-BLLMUTORSA-N 349.872 2.967 30 40 EFEB C[C@@H]1CN([C@H](CNc2ncccc2C#N)c2cccs2)CCO1 107048294 RWMPPLBWDZDRRA-UKRRQHHQSA-N 328.441 2.889 30 40 EFEB Cc1cccc(OCCN(C)CC(=O)N(C)C2(C#N)CCCCC2)c1 12775006 FNAVQAJLKYIMEG-UHFFFAOYSA-N 343.471 2.991 30 40 EFEB Cc1nc(C2(NC(=O)COc3ccc(C#N)cc3)CCCCC2)no1 29058086 AEWUHVXMUOPVPU-UHFFFAOYSA-N 340.383 2.604 30 40 EFEB COc1cccc(CC(=O)N2CCCN(c3ccccc3C#N)CC2)c1 46850681 BAVIPPSXJIBYDZ-UHFFFAOYSA-N 349.434 2.848 30 40 EFEB N#CCN(C(=O)COC(=O)c1cc2ccccc2[nH]1)c1ccccc1 5492255 JIZGNOMIHIDZDW-UHFFFAOYSA-N 333.347 2.881 30 40 EFEB C=CCSc1nc2c(c(=O)[nH]1)[C@H](c1ccccc1OC)CC(=O)N2 4944304 WMPWXEIPPGFPHS-NSHDSACASA-N 343.408 2.531 30 40 EFEB Cn1c(CO)nnc1Sc1cc(C#N)c2cc(Cl)ccc2n1 92686329 WRSMYUGMJLQDMS-UHFFFAOYSA-N 331.788 2.532 30 40 EFEB CCCCc1nnc(NS(=O)(=O)Cc2ccc(C#N)cc2)s1 95988771 IIPTYJGFWUPQMP-UHFFFAOYSA-N 336.442 2.694 30 40 EFEB N#Cc1c(NC(=O)c2cc([N+](=O)[O-])n[nH]2)sc2c1CCCCC2 5396596 UQPUQWXGZKBICU-UHFFFAOYSA-N 331.357 2.772 30 40 EFEB Cc1cc(C(F)(F)F)nn1C/C(N)=N/OC(=O)C1CCCCC1 36612495 BQZXNSIOHRLDCJ-UHFFFAOYSA-N 332.326 2.606 30 40 EFEB CCOc1ccc([C@@H](COC)NC(=O)c2cc(C#N)oc2C)cc1 252497473 QIYMWGGHGLCAAF-QGZVFWFLSA-N 328.368 2.976 30 40 EFEB C[C@@H](C1CC1)N(CCC#N)CC(=O)Nc1ccc2c(c1)OCCCO2 69592884 PIRYSUBUICEBKT-AWEZNQCLSA-N 343.427 2.801 30 40 EFEB CNS(=O)(=O)Cc1cccc(CNc2cc(Cl)ccc2C#N)c1 72290343 LFTIGGGUADESSV-UHFFFAOYSA-N 349.843 2.873 30 40 EFEB C[C@@H](Oc1cccc(C#N)c1)C(=O)[C@H](C#N)c1nnc2n1CCCCC2 58282383 DGYNOALWNQTWGY-CJNGLKHVSA-N 349.394 2.520 30 40 EFEB CCN1C(=O)C(=O)N(Cc2ccc(-c3ccccc3C#N)cc2)C1=O 14187734 PZYIUFCTFZAJCX-UHFFFAOYSA-N 333.347 2.536 30 40 EFEB CNC(=O)[C@@H](C#N)C(=O)c1sc(-c2ccccc2Cl)nc1C 103732484 QVBVOGFWFOCFFB-JTQLQIEISA-N 333.800 2.840 30 40 EFEB CC(C)(CNc1cccc(-n2cccc2)c1C#N)[C@]1(O)CCOC1 603398763 QRFUBKZZQCXHNG-IBGZPJMESA-N 325.412 2.938 30 40 EFEB C=CCn1c(S[C@@H]2C=CCCC2)nnc1[C@@H]1CCS(=O)(=O)C1 84670718 HGRDJBZBOOIALJ-CHWSQXEVSA-N 339.486 2.567 30 40 EFEB CCOc1ccccc1OCC(=O)Nc1cc(C)nn1CCC#N 58222762 LKSUIYUXZCFKFY-UHFFFAOYSA-N 328.372 2.521 30 40 EFEB O=C(O)c1ccc(C(=O)/C=C/c2cnc(N3CCCC3)nc2)s1 58249335 ZNIWUTWWILLMHE-ONEGZZNKSA-N 329.381 2.733 30 40 EFEB N#C[C@@H](C(=O)NC1CC1)C(=O)[C@@H]1C[C@H]1c1cccc(C(F)(F)F)c1 102759715 SOACJDFEQJYOHK-BFHYXJOUSA-N 336.313 2.796 30 40 EFEB CCc1n[nH]c(SCC(=O)Nc2sc3c(c2C#N)CCC3)n1 11712262 HHNUYNOPJLSBBL-UHFFFAOYSA-N 333.442 2.520 30 40 EFEB Cn1cc(-c2nc(C(=O)Nc3ccc(F)c(C#N)c3)cs2)cn1 65607294 PMKITBNUFBBMEA-UHFFFAOYSA-N 327.344 2.807 30 40 EFEB CC/N=C(/NCC1(N[C@H](C)c2ccccc2)CCOCC1)NC1CC1 95408856 XZFCOFGUFDRTEX-MRXNPFEDSA-N 344.503 2.604 30 40 EFEB O=C1/C(=C/c2ccc(-n3cncn3)cc2)COc2cc3c(cc21)OCO3 70018582 GHUROUDCNMUFFF-WLRTZDKTSA-N 347.330 2.655 30 40 EFEB C[C@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)c1ccc(C#N)cc1 8349357 ZRMISRPNSGJVGK-CQSZACIVSA-N 331.379 2.972 30 40 EFEB C/N=C(\NCc1ncccc1C)N[C@H](C)c1cc(OC)ccc1OC 85789880 MSWGISYHHUPKDU-CQSZACIVSA-N 342.443 2.833 30 40 EFEB Cc1cc(C)n([C@@H](C)C(=O)NCc2nc(-c3cccc(C#N)c3)c[nH]2)n1 89591654 VKKKBJGYDNMPSE-AWEZNQCLSA-N 348.410 2.639 30 40 EFEB Cc1cc(C)c(C)c(S(=O)(=O)/N=C(\O)c2cn(C)nc2C)c1C 73087372 NLNCQFWOHLCRCE-UHFFFAOYSA-N 335.429 2.656 30 40 EFEB Cc1noc(COCC(=O)Nc2cccc(C#Cc3ccccc3)c2)n1 74427320 AFEPADCHTUBVLT-UHFFFAOYSA-N 347.374 2.933 30 40 EFEB CCOC[C@]1(C#N)[C@@H](c2ccc(Cl)cc2)[C@H]1S(=O)(=O)CC 252517078 ZIILAHBQBJDNEC-RRFJBIMHSA-N 327.833 2.787 30 40 EFEB COC(=O)[C@@H](C)[C@@H](NC(=O)c1sccc1C#N)c1ccccc1 79634714 HAPJREOZEHEIFA-SMDDNHRTSA-N 328.393 2.900 30 40 EFEB N#Cc1cccc(CNC(=O)c2cnn(-c3ccc(F)cc3F)c2)c1 157440079 UZOLPGOLOYKRSG-UHFFFAOYSA-N 338.317 2.952 30 40 EFEB C[C@H](NC(=O)COC(=O)c1ccc(C#N)cc1)[C@@H]1C[C@H]2CC[C@H]1C2 102234601 VDBXWNAMPVMQMB-CSFVBSKPSA-N 326.396 2.656 30 40 EFEB COc1ccc2c(c1)CCC[C@H]2CC(=O)[C@@H](C#N)C(=O)NC(C)C 103270746 PXRCGIKGUVRJMH-WMLDXEAASA-N 328.412 2.739 30 40 EFEB N#Cc1cc(C#N)c(SCc2nnc(-c3cccs3)o2)nc1N 23865663 WCMATHHCIXWAQW-UHFFFAOYSA-N 340.393 2.811 30 40 EFEB N#Cc1cccnc1NC[C@H](c1cccc(F)c1)N1CCOCC1 71833172 NOYNVRWFUNNRAK-QGZVFWFLSA-N 326.375 2.578 30 40 EFEB CN(C)C(=O)[C@H](Cc1ccccc1)Nc1ccc([N+](=O)[O-])cc1C#N 95975485 MOZLKHZGRZJNDS-KRWDZBQOSA-N 338.367 2.578 30 40 EFEB CCOc1cc(C#N)ccc1OCCn1cnc2ccsc2c1=O 75146510 CIOZVKCQWXDAFL-UHFFFAOYSA-N 341.392 2.807 30 40 EFEB C=CCN1CC[C@@]2(CN(Cc3ccoc3)C[C@H]2c2nccs2)C1=O 306132768 LRSGBZSQQHJPOP-YJBOKZPZSA-N 343.452 2.740 30 40 EFEB COCc1cc(C)n(CC(=O)c2ccc(Cl)cc2)c(=O)c1C#N 408606933 RTEBJJZZISHLRW-UHFFFAOYSA-N 330.771 2.711 30 40 EFEB CN(C)c1nnc(SCCC(=O)Nc2ccccc2C#N)s1 78565527 GCMOHOYLURRTMS-UHFFFAOYSA-N 333.442 2.597 30 40 EFEB Cc1[nH]c(=O)nc(SCC(=O)Nc2cccc(C(C)C)c2)c1C#N 32858415 JFPOCEBHJOZBRU-UHFFFAOYSA-N 342.424 2.804 30 40 EFEB N#Cc1ccc(NC[C@@H]2CCN(c3ncnc4sccc34)C2)nc1 97200921 BAWWALZHFPVSNW-ZDUSSCGKSA-N 336.424 2.896 30 40 EFEB C[C@H](Nc1cnn(CC(F)(F)F)c1)C(=O)Nc1ccccc1C#N 97102898 CSANDSIOIAOZAM-JTQLQIEISA-N 337.305 2.756 30 40 EFEB C=CCN(CC=C)Cn1nc2c(C)cc3ccc(OC)cc3n2c1=O 12181747 ZGGDMUZLQRNKQE-UHFFFAOYSA-N 338.411 2.598 30 40 EFEB COc1ccc([C@@H]2C3=C(CC(C)(C)CC3=O)OC(N)=C2[N+](=O)[O-])cc1 2255587 AYYDFUBBFZIMMF-CQSZACIVSA-N 344.367 2.857 30 40 EFEB C/C(O)=C1\C(=O)[C@@H]2[C@H]3c4c[nH]c5cccc(c45)C[C@H]3C(C)(C)N2C1=O 100067111 CNZIQHGDUXRUJS-PTNHGACKSA-N 336.391 2.828 30 40 EFEB in-vitro Cc1ccc(Cl)cc1NC(=O)CSc1nc(=O)[nH]c(C)c1C#N 32776348 AASDCMKTSAPUDT-UHFFFAOYSA-N 348.815 2.643 30 40 EFEB N#CC1(C#N)[C@H]2CCCC[C@@]23OC(=N)[C@@]1(C#N)[C@@H](c1ccncc1)O3 102683471 CVUIEDKBCHRKOC-DTTOXWODSA-N 333.351 2.590 30 40 EFEB COC(=O)c1cccc(-n2c(C)cc(/C=N/n3cnnc3)c2C)c1C 567425 SVFYREBOFYGZCP-ZVBGSRNCSA-N 337.383 2.663 30 40 EFEB Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N(C)[C@H]1CCc2ccccc21 72245330 GMZDGFWTOKCKMG-IBGZPJMESA-N 349.434 2.942 30 40 EFEB C[C@H](Oc1ccc(/C=N/Cc2ccc(C(=O)O)cc2)cc1)C(=O)O 59302805 DROGCGHPBRIBQC-MKFNJMOCSA-N 327.336 2.856 30 40 EFEB O=C(O)C[C@H]1S/C(=N/N=C\c2ccco2)N(c2ccccc2)C1=O 100142647 IYIYQTSVISWHQU-BPXZVOKTSA-N 343.364 2.593 30 40 EFEB N#Cc1ccccc1OCCN1CC[C@@H](CNc2ncccc2C#N)C1 65512093 YTMPJMPOXPMJGJ-INIZCTEOSA-N 347.422 2.638 30 40 EFEB CC(C)Nc1nnc(S[C@H](C)C(=O)N[C@@](C)(C#N)C(C)C)s1 3407113 CTQRSVIJSNPLMF-YGRLFVJLSA-N 341.506 2.893 30 40 EFEB C=C(C)C[C@@H]1N(c2cccc(C)c2)C(=O)[C@H]2[C@@H](C(=O)O)[C@H]3C=C[C@]21O3 4237653 GJPFCLSDILVNOY-YNIGFRRXSA-N 339.391 2.701 30 40 EFEB Cc1cc(C)c(S(=O)(=O)N/N=C/c2ccc3c(c2)OCO3)c(C)c1 15933714 FJAWSWCMNNIROU-GIJQJNRQSA-N 346.408 2.653 30 40 EFEB CCOc1ccc(NC(=O)C[C@@H]2S/C(=N\[C@@H](C)CC)NC2=O)cc1 7850410 QJVFEKSFWFEGJK-FZMZJTMJSA-N 349.456 2.800 30 40 EFEB C[C@H](Oc1ccc(C#N)cc1)C(=O)NCc1cccc(-n2cccn2)c1 71910055 LYGXUXCTWSQPJY-HNNXBMFYSA-N 346.390 2.828 30 40 EFEB Cc1cc(C)nc([C@H](C#N)C(=O)c2cccc(OCC(F)F)n2)n1 89965610 LVAIQBLRRPLORV-LLVKDONJSA-N 332.310 2.622 30 40 EFEB CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)NCc1ccc(C#N)cc1 45408866 ORGUZAVAGHRLHN-HNNXBMFYSA-N 329.400 2.574 30 40 EFEB CC(C)Cc1nc(C(=O)[C@@H](C#N)C(=O)Nc2ccccn2)cs1 138819595 ZCJIJIZEKGEIMK-LLVKDONJSA-N 328.397 2.698 30 40 EFEB N#Cc1cccc(NC(=O)N[C@H](Cc2ccccc2)C(=O)NC2CC2)c1 60348978 SGUILFVFTKLUGR-GOSISDBHSA-N 348.406 2.570 30 40 EFEB Cc1cc(/C=N/c2c(C)n(C)n(-c3ccccc3)c2=O)c(O)cc1O 5534912 KDAIISRRABCTBQ-RGVLZGJSSA-N 337.379 2.955 30 40 EFEB C/N=C(/NC[C@H]1C[C@H]2CC[C@H]1O2)N1CC[C@H](c2ccccc2C)C1 108355509 VBKPDDFTALUINZ-DODZYUBVSA-N 327.472 2.927 30 40 EFEB Cc1ccc(/C=N/Nc2nnc(C)c(N/N=C/c3ccc(C)o3)n2)o1 27579498 FJIHHJJZSBLFPO-YPOGWSRFSA-N 339.359 2.875 30 40 EFEB CC(C)[C@H](Sc1ccccc1)C(=O)OCCn1ncc(C#N)c1N 65622641 PWLVDFGGBBTKCR-HNNXBMFYSA-N 344.440 2.697 30 40 EFEB CC(=O)Nc1ccc(/C(C)=N/O[C@H](C)C(=O)Nc2cc(C)on2)cc1 14397932 WUNZNAUUWZSFHQ-ZICWZVMQSA-N 344.371 2.709 30 40 EFEB CN(CCOc1ccccc1F)CC(=O)Nc1cccc(C#N)c1 15045658 COQINOMTFMALDT-UHFFFAOYSA-N 327.359 2.647 30 40 EFEB O=S(=O)(/N=C(\O)c1ncccc1C(F)(F)F)c1ccc(F)cc1 97112908 HQSAARDUVUJKCY-UHFFFAOYSA-N 348.277 2.933 30 40 EFEB C#Cc1cccc(N(C)C(=O)CNC(=O)c2c(F)cccc2Cl)c1 97162749 KXKVQWMMBZVBMR-UHFFFAOYSA-N 344.773 2.853 30 40 EFEB Cc1ccc(S(=O)(=O)[C@H]2[C@H](C#N)[C@@H]2c2ccc3c(c2)OCO3)cc1 218166717 DJNZMLGMGAHQDY-JLSDUUJJSA-N 341.388 2.803 30 40 EFEB O=c1sc2c(n1C[C@@H]1CO1)SC[C@H]1COc3ccccc3[C@H]21 32597588 CVHMRDCNMUHILY-GIPNMCIBSA-N 333.434 2.555 30 40 EFEB CC(=O)Nc1ccc(C/C(N)=N/OC(=O)c2ccccc2Cl)cc1 226102686 IAUBZSDEZRVNEN-UHFFFAOYSA-N 345.786 2.970 30 40 EFEB CCn1cnnc1[C@@H]1CCCN(C(=O)Nc2ccc(F)c(C#N)c2)C1 96492166 JYUOJJXWVBPMAF-GFCCVEGCSA-N 342.378 2.720 30 40 EFEB O=C(/C=C/c1ccccc1)C(=O)N1CC[C@@H]2[C@@H](CCCN2C2CC2)C1 1615614690 QQVWVRJPOBMWDF-ZNOOQZCJSA-N 338.451 2.744 30 40 EFEB CCSC[C@@H](C)N(C)S(=O)(=O)c1ccc(C#N)cc1Cl 96500081 HBZBMMRUHHOXFR-SNVBAGLBSA-N 332.878 2.974 30 40 EFEB O=[N+]([O-])c1ccc(N/N=C/c2ccc(O)c(Br)c2)nc1 5616212 SZARMZTYMDGQRW-GIDUJCDVSA-N 337.133 2.904 30 40 EFEB COC(=O)COc1ccc(NC(=O)c2cc(C#N)c[nH]2)c2ccccc12 153461584 BFRDQEJWOKECJI-UHFFFAOYSA-N 349.346 2.844 30 40 EFEB CCCCCCC[C@]1(C)NC(=O)N(CC(=O)NC(C)(C)C)C1=O 101661768 QFIGJXJNHXNSKO-KRWDZBQOSA-N 325.453 2.572 30 40 EFEB COc1cc(C(=O)[C@H](C#N)C(=O)c2cccs2)cc(OC)c1OC 103259744 BGRVMXCLMXUWOJ-NSHDSACASA-N 345.376 2.979 30 40 EFEB CCOc1ccc(CCC(=O)[C@@H](C#N)C(=O)Nc2ccccn2)cc1 104055509 NUJFPMBQCBYWID-MRXNPFEDSA-N 337.379 2.760 30 40 EFEB Cc1ccc2cc(C#N)c(SCC(=O)N3CCOCC3)nc2c1C 416652 CXSXXGHRAXPHFX-UHFFFAOYSA-N 341.436 2.674 30 40 EFEB C=CCOc1ccc(C(=O)NC2CCC3(CC2)OCCO3)cc1OC 47672520 XPQPUKMFMCNFHE-UHFFFAOYSA-N 347.411 2.676 30 40 EFEB Cc1ccc2nc(C3=C(N)N(Cc4ccc(F)cc4)CC3=O)[nH]c2c1 11906261 WRMQOTRTZPQJMN-UHFFFAOYSA-N 336.370 2.723 30 40 EFEB Cc1csc([C@H](C#N)C(=O)CSc2nnc3n2CCCCC3)n1 7822013 BNECROUIMYWTBZ-LLVKDONJSA-N 347.469 2.738 30 40 EFEB CCc1nn(C)c(CC)c1CNC(=O)Nc1nn(C(C)C)cc1C#N 95437975 RFFWFNNBIYLMCL-UHFFFAOYSA-N 343.435 2.516 30 40 EFEB CCN(c1ccc(F)cc1)S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N 95432846 XOSQQAXMAQDYDF-UHFFFAOYSA-N 349.343 2.821 30 40 EFEB COC[C@@](C)(C#N)NC(=O)c1c(C)nn(Cc2ccccc2)c1Cl 84014069 AKFLQTMWRYGMAS-QGZVFWFLSA-N 346.818 2.552 30 40 EFEB CC(=O)N[C@]1(c2nc(C)cs2)CCN(c2ccc(C#N)cc2)C1 548661433 ALBVGJGIYCOSHS-QGZVFWFLSA-N 326.425 2.565 30 40 EFEB CCc1ccc(C(=O)O)cc1S(=O)(=O)N(C)c1cccc(C#N)c1 63346622 BLIMJUIBFWHCNG-UHFFFAOYSA-N 344.392 2.644 30 40 EFEB C=CC[C@H](CC)NC(=O)Nc1ccccc1N(C)S(C)(=O)=O 281446420 SDFAZYYVASVLCQ-LBPRGKRZSA-N 325.434 2.559 30 40 EFEB C[C@H]1CCN(c2ccc(F)cc2F)CCN1c1ccc(C#N)nn1 1616034570 OZTCMERYNXZIIV-LBPRGKRZSA-N 329.354 2.732 30 40 EFEB COC(=O)c1ccc(/C=N\N2CCN(Cc3ccccc3)CC2)cc1 13114006 WNMSSHCEANHRFO-QNGOZBTKSA-N 337.423 2.625 30 40 EFEB C=CCNC(=O)c1ccc(NC(=O)NCc2cccc(OC)c2)cc1 48149254 JRLMEBGCJIRWRW-UHFFFAOYSA-N 339.395 2.933 30 40 EFEB CC(=O)NC1CCN(c2c(C#N)cnc3ccc(Cl)cc23)CC1 72302089 MLBDXEHSUQPFOA-UHFFFAOYSA-N 328.803 2.865 30 40 EFEB N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)c2ccccc2F)CC1 14165542 ZVYDRVMZPKWOBL-GOSISDBHSA-N 341.361 2.987 30 40 EFEB CCc1c(C)sc(NC(=O)Cn2nnc3ccccc32)c1C#N 68677860 UAHWEXXLNLWEJA-UHFFFAOYSA-N 325.397 2.874 30 40 EFEB Cc1ccc(C#N)c(N2CCC[C@H](C(=O)N(C)Cc3ccccn3)C2)n1 95405806 UPZTYGMMDYKBSI-KRWDZBQOSA-N 349.438 2.532 30 40 EFEB C#CCOc1ccc(N(C)S(=O)(=O)c2cn([C@@H](C)CC)cn2)cc1 95414625 VUNPGBKLZGATLW-AWEZNQCLSA-N 347.440 2.691 30 40 EFEB COC[C@H](NC(=O)NCc1ccc(C#N)cc1F)c1ccc(C)o1 84195207 GVWRDJYCEVABCV-HNNXBMFYSA-N 331.347 2.786 30 40 EFEB COC(=O)[C@@H]1Oc2c(c(=O)oc3ccccc23)[C@H]1c1ccc(C#N)cc1 85413220 BKGFTIYJADDZJS-CRAIPNDOSA-N 347.326 2.731 30 40 EFEB COC(=O)N1CCC(N[C@H](CCC#N)c2ccc(OC)cc2)CC1 95940783 IMRAXUKDKDKFRL-QGZVFWFLSA-N 331.416 2.860 30 40 EFEB CCOC(=O)c1cc2cc(C(=O)N(C)C3(C#N)CCC3)ccc2[nH]1 95955858 JKFMBMJGEOBXSJ-UHFFFAOYSA-N 325.368 2.863 30 40 EFEB CN(C(=O)OC(C)(C)C)c1cncc(B2OC(C)(C)C(C)(C)O2)c1 212163402 SBLFRXQKLLOIRE-UHFFFAOYSA-N 334.225 2.752 30 40 EFEB C/N=C(\NCc1ncc(C)s1)N[C@H](C)c1cc(OC)ccc1OC 75077662 GYJRJYYJCCENLZ-GFCCVEGCSA-N 348.472 2.895 30 40 EFEB C=CCSc1nnc(NS(=O)(=O)Cc2ccccc2F)s1 224204436 ZOFOKLGSSRIIRS-UHFFFAOYSA-N 345.446 2.897 30 40 EFEB N#Cc1cccc(S(=O)(=O)CCSc2ccccc2C#N)c1 95435885 JWBAGTMLNGVDOI-UHFFFAOYSA-N 328.418 2.996 30 40 EFEB C[C@@H](CC#N)N(C)S(=O)(=O)N(C)CCc1cccc2ccccc12 282414715 BCTOZEZXWBKMCR-HNNXBMFYSA-N 345.468 2.793 30 40 EFEB C=CCC1(CC=C)CCN1C(=O)[C@@]1(C)CC(=O)N=C2C=C(C)C=CN21 12239260 LVCSSMZPURFFNE-LJQANCHMSA-N 339.439 2.973 30 40 EFEB C[C@H]1Oc2ccccc2O[C@H]1/C(O)=N/S(=O)(=O)c1cccs1 48427761 YJHOUKVUGGUIAN-NOZJJQNGSA-N 339.394 2.622 30 40 EFEB Cc1cccc2c1[nH]c1nc(N/N=C\c3ccc([N+](=O)[O-])o3)nnc12 4578241 QENMDTXFUITIIE-APSNUPSMSA-N 337.299 2.762 30 40 EFEB CCOc1cc(/C=N/N=C(N)N)ccc1OCc1ccccc1Cl 6590479 HULWOJALAMFGIY-UFFVCSGVSA-N 346.818 2.925 30 40 EFEB CSc1nc(-c2ccc(C)cc2)c(C#N)c(N2CCN(C)CC2)n1 7995314 KNVAAICJNSQAKL-UHFFFAOYSA-N 339.468 2.797 30 40 EFEB C/N=C(/NCc1ccc(OC(C)C)c(F)c1)NCc1ccccn1 81742638 WORKRHMUVNNABT-UHFFFAOYSA-N 330.407 2.873 30 40 EFEB N#Cc1ccsc1NC(=O)CCN1CCCC[C@@H]1Cn1cccn1 70040518 VAEGINILAYVFHO-OAHLLOKOSA-N 343.456 2.700 30 40 EFEB Cc1nc(-c2cccc(NC(=O)Cc3cccc(OCC#N)c3)c2)n[nH]1 89760593 ANHMKZOGLKJXBG-UHFFFAOYSA-N 347.378 2.864 30 40 EFEB Cc1ccc(S(=O)(=O)ONNc2nccc3ccccc23)cc1 5553324 NJBVZIPVQZEZNB-UHFFFAOYSA-N 329.381 2.780 30 40 EFEB CS(=O)(=O)c1ccc(-c2cc(C#N)nn2-c2ccc(F)cc2)cc1 4917 NKBRWXWNSUIHNI-UHFFFAOYSA-N 341.367 2.954 30 40 EFEB C[C@@H](OC(=O)CCc1ccccc1)C(=O)NC1(C#N)CCCCC1 6375569 LUULIKCMTDENTE-OAHLLOKOSA-N 328.412 2.894 30 40 EFEB CC1CC(C(=O)N2CC[C@]3(CC(=O)N(c4cccc(C#N)c4)C3)C2)C1 1565551854 SUMWDXNDFWGDKQ-SGHGTVFPSA-N 337.423 2.560 30 40 EFEB N#Cc1c(CCCNC(=O)C[C@@H]2C=CCC2)nn(-c2ccccc2)c1N 31566428 GQIIRWNYORFPLC-OAHLLOKOSA-N 349.438 2.731 30 40 EFEB Cc1cc2cc(C#N)c(SCC(=O)N3CCOCC3)nc2cc1C 1354503 XAQHDTMNUCBEJW-UHFFFAOYSA-N 341.436 2.674 30 40 EFEB CNC(=O)c1ccc(/C=C/C(=O)N(CCC#N)Cc2ccco2)cc1 58201374 HAUWCJWSEBMRMI-JXMROGBWSA-N 337.379 2.595 30 40 EFEB CCn1cc(/C=N/N2CC(O)=C(c3nc(C)cs3)C2=N)c(C)n1 102724671 QVVCQQFRARIXDY-NLNAVSSVSA-N 330.417 2.572 30 40 EFEB O=C(/C=C/c1cc2c(cc1[N+](=O)[O-])OCO2)c1ccc2c(c1)OCO2 28498332 HIJWRPOQWMQFSI-HNQUOIGGSA-N 341.275 2.948 30 40 EFEB Cc1ccc(C(=O)N2CCCN(Cc3ccc(C#N)cc3)CC2)c(C)n1 48477163 DPGRCHUUZOCFBU-UHFFFAOYSA-N 348.450 2.918 30 40 EFEB COC[C@H](C)/N=C(/S)N1CCN(c2ccccc2Cl)CC1 13684507 YYBQAKYDSGAGOA-LBPRGKRZSA-N 327.881 2.783 30 40 EFEB N#Cc1ccc(F)c(COC(=O)c2ccc(Cn3cncn3)cc2)c1 14148777 CERBGXBQUCPPMC-UHFFFAOYSA-N 336.326 2.694 30 40 EFEB Oc1cc(/C=N/n2c(S)nnc2C(F)(F)F)cc(Cl)c1O 19632638 GMFPZNYWYJIJKF-CRKCGEKBSA-N 338.698 2.532 30 40 EFEB Cc1nc(CN2C(=O)N[C@](C)(c3cccc(C#N)c3)C2=O)sc1C 88520045 YRPMQSAVEPAEIP-QGZVFWFLSA-N 340.408 2.599 30 40 EFEB COc1ccc(F)c(C(=O)NCc2cc(C#N)ccc2F)c1OC 188513717 IXNPNEXDUQYNBB-UHFFFAOYSA-N 332.306 2.784 30 40 EFEB C=CCN(Cc1cccc(C#N)c1)S(=O)(=O)c1ccc(C#N)cc1 63310488 UOBDTWUPPFQKNX-UHFFFAOYSA-N 337.404 2.807 30 40 EFEB COc1cc(CNC(=O)N2CCC[C@](C)(C#N)C2)cc(OC)c1OC 612095355 RLTHHYSWKQPKBR-GOSISDBHSA-N 347.415 2.548 30 40 EFEB N#Cc1cccc(Oc2ccc(S(=O)(=O)N3CCCC3)cn2)c1 6923096 JIZLZWYZELXLNS-UHFFFAOYSA-N 329.381 2.530 30 40 EFEB CC[C@@H](O)CN(Cc1ccccc1)S(=O)(=O)c1ccccc1C#N 128557201 QXBZXIGJKBLKLK-QGZVFWFLSA-N 344.436 2.520 30 40 EFEB O=C1CS/C(=N/S(=O)(=O)c2ccccc2)N1Cc1ccccc1 100895871 GMAPCKCCWKLAES-WUKNDPDISA-N 346.433 2.507 30 40 EFEB Cc1n[nH]c(-c2ccc(C(=O)N(CC#N)Cc3ccccc3)cc2)n1 73007522 ONVDBERJVICSDJ-UHFFFAOYSA-N 331.379 2.946 30 40 EFEB Cc1nnc(NCc2ccnc(OCC(F)(F)F)c2)c(C#N)c1C 52105875 BUGOJQVEKYJEMX-UHFFFAOYSA-N 337.305 2.913 30 40 EFEB C=CCN1C(=O)N/C(=C/c2cc(Br)ccc2OC)C1=O 479368 WTOUAJPEJDCGPA-DHZHZOJOSA-N 337.173 2.536 30 40 EFEB C[C@@]1(c2ccc(F)cc2F)NC(=O)N(Cc2ccc(C#N)cc2)C1=O 47358939 PXJQZCYJKYDPLE-SFHVURJKSA-N 341.317 2.804 30 40 EFEB N#CCCn1c(SCC(=O)NCc2ccco2)nc2ccccc21 12630531 OCVAFUIKYRGZIJ-UHFFFAOYSA-N 340.408 2.951 30 40 EFEB C/N=C(\NC)NC[C@@H](c1ccccc1)N1CCc2sccc2C1 58185081 LLYPNSVOTLEWDA-INIZCTEOSA-N 328.485 2.642 30 40 EFEB COc1ccc([C@@H]2[C@H](C#N)C(=O)Nc3nc4ccccc4n32)cc1OC 20637952 FBCNAWAMJCLTOP-YVEFUNNKSA-N 348.362 2.735 30 40 EFEB Cc1nnc(N2CCC(C(=O)N3CCCCCC3)CC2)c(C#N)c1C 29428911 UJXFXSWKBLMKBD-UHFFFAOYSA-N 341.459 2.584 30 40 EFEB N#Cc1ccc(C(=O)OCC(=O)NCc2ccccc2Cl)cc1 2628225 AQYKIIDBPBRLLM-UHFFFAOYSA-N 328.755 2.685 30 40 EFEB CN(CC(=O)Nc1ccc(Cl)cc1)C(=O)c1cccc(C#N)c1 7401854 OCFMZKCUNHNQDJ-UHFFFAOYSA-N 327.771 2.922 30 40 EFEB C[C@H](c1ccsc1)N1CCN(C(=O)c2ccc(C#N)cn2)CC1 97143199 MTDIVPGIBXTQMM-CYBMUJFWSA-N 326.425 2.534 30 40 EFEB COc1cccc([C@H](C#N)NC(=O)c2cccc(F)c2F)c1OC 69657591 LVXLSKYERCOKIW-ZDUSSCGKSA-N 332.306 2.977 30 40 EFEB C#C[C@@]1(O)C[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@H](O)C[C@]2(C)C1 118926307 DUULPJDVZRLYIC-KQFCJCSDSA-N 328.452 2.853 30 40 EFEB CC1(C)OB(c2ccc(Br)c([N+](=O)[O-])c2)OC1(C)C 306601086 JPNRKXYDPBXOMF-UHFFFAOYSA-N 327.971 2.657 30 40 EFEB C/N=C1\S/C(=C\c2cccn2-c2ccc(C(=O)O)cc2)C(=O)N1C 409227140 PHIKHPDBZHAJIA-GVXDGLBUSA-N 341.392 2.707 30 40 EFEB C=CCN(CC=C)S(=O)(=O)c1ccc(Br)c(OC)c1 31903953 GGMFDOQXYDAINA-UHFFFAOYSA-N 346.246 2.820 30 40 EFEB CCCCc1nc(SCc2ccc(C(=O)OC)o2)nc(N)c1C#N 225893097 VFUIRAMUFLAANO-UHFFFAOYSA-N 346.412 2.945 30 40 EFEB N#Cc1ccc(CN2CCC(NC(=O)c3ccccc3F)CC2)o1 96489755 GCFLTIGLJOUTBY-UHFFFAOYSA-N 327.359 2.685 30 40 EFEB COc1ccc(N2C(=O)C[C@H](C3=C(O)CC(C)(C)CC3=O)C2=O)cc1 95481320 MWOLHNMLWYIKEM-CYBMUJFWSA-N 343.379 2.776 30 40 EFEB CC(C)(C)[C@@H]1CCCN(c2ccc(C#N)cc2CS(N)(=O)=O)C1 585141889 HJQFTVRZYDTURW-OAHLLOKOSA-N 335.473 2.609 30 40 EFEB N#Cc1ccccc1CN1CCN(C(=O)Cc2ccc(F)cc2)CC1 30197684 CCQCJKWDDAXSFU-UHFFFAOYSA-N 337.398 2.584 30 40 EFEB CNC(=S)N/N=C/c1cc([N+](=O)[O-])ccc1Sc1ccccn1 555819 SSSSXOGHEIQDDA-RQZCQDPDSA-N 347.425 2.569 30 40 EFEB O=C1C[C@@H](N(O)C(=O)c2ccccc2)C(=O)N1c1ccc(Cl)cc1 543653 CAYACAMENSREEZ-CQSZACIVSA-N 344.754 2.504 30 40 EFEB N#C[C@H](C(=O)CCc1cc(F)ccc1F)C(=O)Nc1ccccn1 103717428 SIEASLCALYPVAX-CYBMUJFWSA-N 329.306 2.640 30 40 EFEB C=CCOc1ccccc1/C=C1/SC(=S)N([C@@H](C)C(=O)O)C1=O 8497096 NREPEKPAWJSBJE-YWEFTTLKSA-N 349.433 2.926 30 40 EFEB CCN/C(S)=N/N=C\c1cc(Br)c(O)c(OCC)c1 12635660 QPFMRLKMEXWALV-CHHVJCJISA-N 346.250 2.783 30 40 EFEB C=CCOC[C@@H]1CC[C@H]2[C@H](CCN2Cc2ccc3c(c2)OCO3)O1 107204911 CWPIIGISBJXSNG-ULQDDVLXSA-N 331.412 2.740 30 40 EFEB CN(C[C@H]1COc2ccccc2O1)c1ccc(C#N)cc1[N+](=O)[O-] 23078413 QGDBDPLPICCJMH-ZDUSSCGKSA-N 325.324 2.743 30 40 EFEB N#Cc1c(F)cccc1NCCNC(=O)N1CCc2sccc2C1 65434062 DZEGFCBBRODBAX-UHFFFAOYSA-N 344.415 2.939 30 40 EFEB CCCCNC(=O)CO/N=C/c1ccc(OC(F)F)c(OC)c1 9453398 VMECOWAZZAMSOK-DJKKODMXSA-N 330.331 2.563 30 40 EFEB COC(=O)c1cc(/N=C/c2ccc(OCC(N)=O)cc2)ccc1Cl 408964797 SHIGMNASIDHCLH-AWQFTUOYSA-N 346.770 2.741 30 40 EFEB N#Cc1cccc(CNCc2ccc(N3CCC(O)CC3)c(F)c2)c1 71825302 KXTLGENSEKLSEL-UHFFFAOYSA-N 339.414 2.948 30 40 EFEB COc1cc(OC)cc([C@@H]2CCN(C(=O)c3cc(C#N)c[nH]3)C2)c1 81844102 LZCQBJHQNFQYNY-CYBMUJFWSA-N 325.368 2.533 30 40 EFEB CN(c1ccc(C#N)cn1)[C@@H]1CCN(c2ccccc2Cl)C1=O 71902747 WWJDEBGWKCNCJE-OAHLLOKOSA-N 326.787 2.848 30 40 EFEB C=CCOc1ccccc1CNC(=O)N1CCC2(CCOCC2)C1 98014478 IMSGHIJQRHYDKI-UHFFFAOYSA-N 330.428 2.964 30 40 EFEB Cc1cc(C2=NN/C(=N\C3CC3)SC2)c(C)n1C[C@H]1CCCO1 8943584 GOQXDQJPLFOFEV-CQSZACIVSA-N 332.473 2.843 30 40 EFEB N#Cc1cccnc1N[C@@H]1CCc2nnc(Cc3ccccc3)n2C1 95999434 HZBBMIBQSRUPTE-MRXNPFEDSA-N 330.395 2.562 30 40 EFEB Cc1ccccc1S(=O)(=O)N1CCC(C#N)(c2ccccn2)CC1 521905442 IYROPGJQQXODID-UHFFFAOYSA-N 341.436 2.636 30 40 EFEB CC1=CC(=O)C[C@H]2[C@@]1(O)CC[C@H](C)[C@]21C[C@H](c2ccoc2)OC1=O 37538981 DLHZVTVUHATYAU-LKSXTJLYSA-N 330.380 2.950 30 40 EFEB biogenic,in-vitro Cc1ccc(CC/C(O)=N/S(=O)(=O)c2cncc(Cl)c2)o1 96485120 PYAWIFVIKGLNEC-UHFFFAOYSA-N 328.777 2.914 30 40 EFEB COc1ccccc1CN[C@H](c1ccc(C#N)cc1)P(=O)(O)O 12997502 CGVLQZFNBMHLPY-INIZCTEOSA-N 332.296 2.533 30 40 EFEB C[C@H](Oc1ccc(/C=N/NC(=S)Nc2ccccc2)cc1)C(=O)O 563964 GENSYRAGHSPTPK-HWQJWEFDSA-N 343.408 2.859 30 40 EFEB COc1ccccc1[C@H]1O[C@]2(C)OC(=N)[C@@]1(C#N)C(C#N)(C#N)[C@H]2C 102684359 LUFYEGVOQAFEAJ-XBLNEZIDSA-N 336.351 2.670 30 40 EFEB CCOc1ccc(NC(=O)COc2ccc(C#N)cc2)c([N+](=O)[O-])c1 11036320 CZFBGNMCCVBPBF-UHFFFAOYSA-N 341.323 2.883 30 40 EFEB Cc1ccsc1C(=O)[C@@H](C#N)C(=O)N(CC(F)(F)F)C1CC1 102758105 GALAOKJDQXJFLG-SNVBAGLBSA-N 330.331 2.932 30 40 EFEB Brc1ccccc1-c1ccc(/C=N/Nc2nnn[nH]2)o1 4680460 BQGCGRARSNUIMP-VGOFMYFVSA-N 333.149 2.668 30 40 EFEB N#Cc1nccnc1N1CCC([C@@H](O)c2ccc(Cl)cc2)CC1 67373711 FEEPEEOGTHEWSN-INIZCTEOSA-N 328.803 2.952 30 40 EFEB Cc1nc(C(=O)N2CCC[C@H]2c2noc(C(C)C)n2)ccc1C#N 76044404 CUXUQHNHNARVOT-AWEZNQCLSA-N 325.372 2.745 30 40 EFEB C#CCOc1c(CC=C)cc(/C=N/NC(=S)NCC)cc1OCC 33855647 KMUSLUDJJDMQNP-DEDYPNTBSA-N 345.468 2.644 30 40 EFEB Cc1ccc(C(=O)O)cc1Nc1nc(N)nc(NC(C)C)c1C#N 35906082 VXYAJCZIIUXKPV-UHFFFAOYSA-N 326.360 2.501 30 40 EFEB C=CCNC(=S)Nc1nc(Cl)cc(Sc2ncccn2)n1 225926550 KGQXAEHRQXBUEF-UHFFFAOYSA-N 338.849 2.544 30 40 EFEB C=CCN(c1ccccc1C(=O)OC)S(=O)(=O)c1ccccc1 224664541 MFWPYJGISWSVFR-UHFFFAOYSA-N 331.393 2.855 30 40 EFEB Cc1cc(C)cc([C@H](O)CNC(=O)NCc2cc(C#N)ccc2F)c1 225758389 ZNDXBEBSZXUGSZ-GOSISDBHSA-N 341.386 2.847 30 40 EFEB CC(=O)Oc1ccc(NC(=O)C(C)(C)Br)c(C#N)c1 225787023 BKUNCOCYIHKHME-UHFFFAOYSA-N 325.162 2.596 30 40 EFEB C/N=C(/NCCc1ccc(OC(F)F)cc1)NCc1ncccc1C 96454937 RGTKZRKETDIPFH-UHFFFAOYSA-N 348.397 2.899 30 40 EFEB C#CCCC1(CCC(=O)NC[C@H](C)N2CCc3ccccc3C2)N=N1 1615000503 DCMOWVHCDCVRJL-INIZCTEOSA-N 338.455 2.905 30 40 EFEB C=CCc1c(C)nc(N2CCN(c3ccc(Cl)cc3)CC2)[nH]c1=O 13611867 KCGOUUVYIZZLSN-UHFFFAOYSA-N 344.846 2.787 30 40 EFEB C=CCN1C(=O)[C@H](C)S/C1=N\S(=O)(=O)c1ccc(Cl)cc1 17837397 WOTXYJUJKKQKRL-BFBVWJMCSA-N 344.845 2.535 30 40 EFEB CCN(CC)CCC[C@@H](C)NC(=S)N/N=C(/C)c1ccccn1 6381983 JDELQHHBOGXZLZ-MYKQLWFJSA-N 335.521 2.780 30 40 EFEB N=C1C(c2nc3ccccc3[nH]2)=C(O)CN1/N=C/c1cccc(O)c1 102729820 RMTMUVWTTLVTME-RICWVNQTSA-N 333.351 2.865 30 40 EFEB N#C[C@@H](C(=O)NCc1ccco1)C(=O)c1ccc(Br)cc1 103502279 QUTJAWCYXOOKKK-CYBMUJFWSA-N 347.168 2.681 30 40 EFEB C=CC/N=C(\NCCc1ccccn1)NCc1ccc(Cl)nc1 78752040 ITHQZNFBEDPKQN-UHFFFAOYSA-N 329.835 2.594 30 40 EFEB CC1(C)Cc2c(C#N)c(N3CCNCC3)nc(-c3ccccc3)c2CO1 3077643 BYFBDENSOYQTMX-UHFFFAOYSA-N 348.450 2.881 30 40 EFEB CCC(=O)C1=C(c2ccc(F)cc2)N(C(=O)CC)n2cnnc2S1 4518292 ICXZCPYJXARILC-UHFFFAOYSA-N 346.387 2.745 30 40 EFEB C1CCC(=NNc2nc(N3CCCC3)nc(N3CCCC3)n2)CC1 6021882 NLSNXXUCBTXSLE-UHFFFAOYSA-N 329.452 2.804 30 40 EFEB CC(=O)N[C@@H]1CCCN(c2c(C#N)cnc3ccc(Cl)cc23)C1 95407777 ZMPAOWYPDKFBHN-CQSZACIVSA-N 328.803 2.865 30 40 EFEB COCCCOc1ccc(C(=O)N(CC#N)Cc2ccccc2)cn1 58328018 ILBKAQZZGVERHL-UHFFFAOYSA-N 339.395 2.663 30 40 EFEB C[C@H](Oc1ccc(/C=N/c2cc([N+](=O)[O-])ccc2O)cc1)C(=O)O 59248683 HFLMISIPAWJDDC-VJCPFXPRSA-N 330.296 2.903 30 40 EFEB C#CCOc1ccc([N+](=O)[O-])cc1/C=N/NCc1ccccc1OC 20761266 VQMUEGAZTMHXHW-DEDYPNTBSA-N 339.351 2.739 30 40 EFEB N#CCn1c(C(=O)N2CCC[C@H]2Cn2cccn2)cc2ccccc21 70040788 BDBBNFPCJUERFZ-INIZCTEOSA-N 333.395 2.666 30 40 EFEB N#Cc1cc(Br)ccc1NC[C@@H](CO)Cc1ccccn1 97083911 NNIQSQPTZJODFL-LBPRGKRZSA-N 346.228 2.979 30 40 EFEB CCn1nccc1/C(O)=N/S(=O)(=O)c1c(Cl)cccc1Cl 97164007 CDLGDZGIHINEII-UHFFFAOYSA-N 348.211 2.903 30 40 EFEB Cc1cccc(N=C[C@H]2C(=O)NC(=O)N(c3ccccc3F)C2=O)c1 408527478 OGJYALKHEFGROT-ZDUSSCGKSA-N 339.326 2.736 30 40 EFEB C=CCn1c(=O)n2nc(-c3cccnc3)nc2c2c(C)c(C)sc21 32074861 PISGZPBPHWEXNX-UHFFFAOYSA-N 337.408 2.971 30 40 EFEB C=C(C)C[C@@H]1N(c2ccccc2C)C(=O)[C@H]2[C@H](C(=O)O)[C@H]3C=C[C@]21O3 225447199 INFSPPRSFZBLBY-QRXRQMIZSA-N 339.391 2.701 30 40 EFEB CSc1nnc(CN2CCN([C@@H](C#N)c3ccccc3)CC2)s1 80907960 RHMFDKQEBQKJIE-AWEZNQCLSA-N 345.497 2.642 30 40 EFEB C/N=C(/NCCC1=CCOCC1)N[C@H]1C[C@H](C)N(c2ccccc2)C1 96484221 KNSNUABLUXWLPB-WMZOPIPTSA-N 342.487 2.556 30 40 EFEB C[C@H](Oc1ccc(C#N)cc1)/C(O)=N/c1nc(C(F)(F)F)n[nH]1 26254729 KYLBSHBBCHTTIJ-ZETCQYMHSA-N 325.250 2.751 30 40 EFEB Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)NCC1(c2ccccc2)CC1 72305742 ZGBIRVDPJQSEPA-UHFFFAOYSA-N 349.434 2.644 30 40 EFEB C=CCn1c(C)c(/C=N/n2c(=S)[nH]nc(C)c2=O)c2ccccc21 478702 NETLYZXXJJMSML-VCHYOVAHSA-N 339.424 2.941 30 40 EFEB COc1ccc(/C=C2\C(=O)c3ccc(C(=O)O)cc3C2=O)cc1OC 180537 YGGQSFAKSUYDMP-VGOFMYFVSA-N 338.315 2.865 30 40 EFEB biogenic C=CCn1c(=O)n(C)c(=O)c2c(-c3ccc(OC)cc3)csc21 32088442 ATCABWWMBKBDTL-UHFFFAOYSA-N 328.393 2.623 30 40 EFEB C=CCN(C(=O)NCCCC)[C@H]1CC(=O)N(c2ccc(C)cc2)C1=O 101211449 MRMPPMNIZYXSPJ-INIZCTEOSA-N 343.427 2.625 30 40 EFEB N#Cc1ccc(C(=O)N[C@@H]2CCCc3c2cnn3-c2ccccn2)cc1 71195537 NTIJZXCSVKXEFY-QGZVFWFLSA-N 343.390 2.946 30 40 EFEB COCCN1C(=O)C(O)=C(C(C)=O)[C@@H]1c1ccc(Cl)cc1Cl 4095231 OMRDSIMLRCPWPL-ZDUSSCGKSA-N 344.194 2.924 30 40 EFEB CCOc1ccc(NC(=O)COC(=O)c2ccc(C#N)cc2F)cc1 6963055 URHJJHZUNCMJPH-UHFFFAOYSA-N 342.326 2.892 30 40 EFEB Cc1ncsc1C(=O)N1CCCN(c2cccc(F)c2C#N)CC1 57141977 DQURUIQVELYXRY-UHFFFAOYSA-N 344.415 2.815 30 40 EFEB C=CCOC(=O)c1ccc(N2CCN(c3ccc(F)cc3)CC2)nc1 20404830 DPDANDBFXZEFRN-UHFFFAOYSA-N 341.386 2.890 30 40 EFEB C#CCN1CCC(C(=O)N[C@H]2CCOc3c(Cl)cccc32)CC1 65624253 DNQIDTZSUINGAG-INIZCTEOSA-N 332.831 2.625 30 40 EFEB C=CCN1C(=O)N/C(=C/c2ccc(N(CC)CC)cc2OC)C1=O 409134788 QBSMCMHPPXGENE-RVDMUPIBSA-N 329.400 2.620 30 40 EFEB O=[N+]([O-])c1cccc(-c2cs/c(=N/N=C/c3ccccn3)[nH]2)c1 9348704 QQIIECCQLAXVNP-RQZCQDPDSA-N 325.353 2.981 30 40 EFEB C[C@H](CNC(=O)OC(C)(C)C)N(C)C(=O)Nc1cccc(C#N)c1 69737325 QMECGGCKDKVYNX-GFCCVEGCSA-N 332.404 2.935 30 40 EFEB CC(=O)C1=C(O)C(=O)N(CCCCCC(=O)O)[C@H]1c1ccc(F)cc1 17995934 AKILSPJWBHXIAJ-INIZCTEOSA-N 349.358 2.755 30 40 EFEB N#Cc1ccc(CN2CC[C@@H](N3CCCC3)C2)c(Br)c1 97047134 DAXQNLVBIATPAR-OAHLLOKOSA-N 334.261 2.991 30 40 EFEB N#Cc1cc(NC(=O)CCc2ccco2)ccc1N1CCC(O)CC1 75180610 PPDXPBXFXFFNOJ-UHFFFAOYSA-N 339.395 2.684 30 40 EFEB C[C@@H]1C[C@@H]1C(=O)NCCC(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 72499530 HUHJDHLNVPFDFA-SKDRFNHKSA-N 339.317 2.678 30 40 EFEB CCCc1nc(SCc2cccc(C(=O)OC)c2)nc(N)c1C#N 225892101 MUHCZTWZUPXVGB-UHFFFAOYSA-N 342.424 2.962 30 40 EFEB N#Cc1ccc(N[C@@H]2CCN(c3ccccc3OC(F)F)C2=O)cn1 195535319 ZZKFDEUNVKRSIF-CYBMUJFWSA-N 344.321 2.772 30 40 EFEB C[C@@H]1CN(C(=O)CSc2ccc(C#N)c(C(F)(F)F)c2)CCO1 96500999 QNNPEJPWCVMETP-SNVBAGLBSA-N 344.358 2.916 30 40 EFEB N#Cc1cc(C#N)c(SC[C@@H]2COC3(CCCCC3)O2)nc1N 1616036570 NTBPVJUNIMGUGW-ZDUSSCGKSA-N 330.413 2.575 30 40 EFEB Cc1cc(C)n(/N=C/c2ccc(Br)cc2)c(=O)c1C#N 116444 FNYSLZMBFCYCOZ-GIJQJNRQSA-N 330.185 2.982 30 40 EFEB C=CCn1c(=S)[nH]c2cc(C(=O)N3CCCCC3)ccc2c1=O 12631575 FAAPEHKDXOEPFA-UHFFFAOYSA-N 329.425 2.871 30 40 EFEB COc1ccc(N/C(N)=N\c2nc(-c3ccccc3)cc(=O)[nH]2)cc1 17070592 VEQITZYLPYNKDL-UHFFFAOYSA-N 335.367 2.504 30 40 EFEB CC(=O)c1cc2c(cc1NC(=O)COc1ccc(C#N)cc1)OCO2 5109013 OSHQCTXYVLYWLQ-UHFFFAOYSA-N 338.319 2.507 30 40 EFEB C=CCNc1nnc(SCC(=O)N(C)Cc2ccccc2)s1 5785093 MULKVJSJQNSGLF-UHFFFAOYSA-N 334.470 2.887 30 40 EFEB C=CCOc1ccccc1/C=C1/SC(N2CCOCC2)=NC1=O 2072245 AIKYUMPKLIGUJT-NTCAYCPXSA-N 330.409 2.554 30 40 EFEB C[C@@H](COCC(F)(F)F)NC(=O)N(C)Cc1ccc(C#N)cc1 58203202 ICWIZYHARYYRDF-NSHDSACASA-N 329.322 2.667 30 40 EFEB CCOc1ccc(S(=O)(=O)/N=C(\O)[C@@H]2C[C@H]2C)cc1OCC 48493773 YKAHYZANDBHUGR-ZYHUDNBSSA-N 327.402 2.785 30 40 EFEB COC(=O)c1cc(NCC(=O)Nc2ccc(CC#N)cc2)ccc1F 29903177 WTTVEHKAPOXALX-UHFFFAOYSA-N 341.342 2.729 30 40 EFEB COc1ccc(OC)c(CNC(=O)Nc2cccc(OCC#N)c2)c1 48517095 YFDHMIKCRJPSJP-UHFFFAOYSA-N 341.367 2.928 30 40 EFEB C/N=C(/NCCCO[C@@H](C)c1ccccc1)NCc1ccccn1 95350524 RAHHOGMJWTUBAR-INIZCTEOSA-N 326.444 2.915 30 40 EFEB COc1ccccc1CC(=O)Nc1ccc(-n2cc(C#N)c(N)n2)cc1 95396723 HMXSJQDVBGLBIS-UHFFFAOYSA-N 347.378 2.516 30 40 EFEB CC(C)c1cnc(CN(C)[C@@H]2CCN(C[C@H](C#N)CCC#N)C2)o1 84630710 GEXIIFUSYHBUNN-JKSUJKDBSA-N 329.448 2.748 30 40 EFEB CC1=C/C(=N\OS(=O)(=O)c2ccc(C)cc2)[C@H]2[C@@H](C1=O)C2(C)C 4666745 IXDVQGKPDYCHGA-KIHLJVTFSA-N 333.409 2.858 30 40 EFEB C=CCO[C@@H](C)C(=O)NCC[C@H]1CCCN(C(=O)OC(C)(C)C)C1 69848720 PMEYXAKXNWHNED-LSDHHAIUSA-N 340.464 2.731 30 40 EFEB C=C[C@H](C)NC(=O)N1CCO[C@@H](c2cccc(OC(F)F)c2)C1 95442769 RPMZUMGVUSXDHP-SMDDNHRTSA-N 326.343 2.945 30 40 EFEB N#Cc1ccc(N[C@@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)nn1 95993864 XEEXAUBASKGVJI-CYBMUJFWSA-N 348.193 2.872 30 40 EFEB CCOC(=O)Cc1csc(N/N=C\c2cccc([N+](=O)[O-])c2)n1 32505826 ONBXDFRLVYNXBM-NVNXTCNLSA-N 334.357 2.603 30 40 EFEB C=CCNC(=O)C1CCN(c2ncnc3c2oc2ccccc23)CC1 33169550 YMKQXJKSDWWHDT-UHFFFAOYSA-N 336.395 2.895 30 40 EFEB N#Cc1ccc(C(=O)NCc2cc(-c3ccc4c(c3)OCO4)on2)cc1 38754828 SPAYZHZAAYJTPX-UHFFFAOYSA-N 347.330 2.872 30 40 EFEB Cc1nn(-c2ccccn2)c(C)c1CCNC(=O)c1cccc(C#N)c1 225582511 HVMZPNSQCYGMHD-UHFFFAOYSA-N 345.406 2.728 30 40 EFEB CN1CCN(C(=O)COc2ccc(CC#N)cc2)[C@H](c2ccccc2)C1 46027751 TYXFQVVMKMNKOQ-FQEVSTJZSA-N 349.434 2.647 30 40 EFEB Cc1ccc(CC(=O)N2CCN([C@@H](C#N)C3CCCCC3)CC2)cn1 57235467 BUPUUZWGYPCPDQ-IBGZPJMESA-N 340.471 2.549 30 40 EFEB CC(=O)Nc1ccc(/C=C\C(=O)c2sc(C(N)=S)nc2C)cc1 5808940 HXYCAOMIAVRGGO-YVMONPNESA-N 345.449 2.940 30 40 EFEB O=[N+]([O-])c1ccc(NN=C2[C@H]3CC4C[C@@H]2CC(O)(C4)C3)c([N+](=O)[O-])c1 15906509 QIGAXIMBSIOSMJ-WWWQPRNBSA-N 346.343 2.842 30 40 EFEB N#Cc1ccc(N2C[C@H]3CN(c4nc5ccccc5o4)C[C@H]3C2)nc1 1888906297 SWDUIUDMZHDULA-GASCZTMLSA-N 331.379 2.667 30 40 EFEB COc1ccc(N/N=C(\C=N\O)C(=O)c2ccc(OC)cc2)cc1 100364220 KYKMZUXBBDSRCP-FMRGZHNDSA-N 327.340 2.815 30 40 EFEB CCN(CC)c1ccc(/C=N/NS(=O)(=O)c2ccccc2)c(O)c1 374150 KPGTZMFWAMFCPI-QGOAFFKASA-N 347.440 2.551 30 40 EFEB Cc1oc(NC(=O)CN(C)CCOc2ccccc2)c(C#N)c1C 22240795 BHBZRMOYAXTEKN-UHFFFAOYSA-N 327.384 2.717 30 40 EFEB C=CC[C@H]1N([C@@H](C)c2ccccc2)C(=O)[C@@H]2[C@@H](C(=O)O)[C@H]3C=C[C@]21O3 4028779 YWYCUWTWYARELT-BZABSHQWSA-N 339.391 2.559 30 40 EFEB CC1(C)CC(=O)c2cc(C#N)c(SCC(=O)N3CCCC3)nc2C1 3296581 PCIKUNDZVKGSOS-UHFFFAOYSA-N 343.452 2.823 30 40 EFEB N#Cc1ccc(C(=O)N[C@H](Cc2ccccc2)C(=O)N2CCCC2)cc1 58209232 PHBLWZXVTDRNOU-LJQANCHMSA-N 347.418 2.522 30 40 EFEB CC1(C)CC(=O)C2=C(C1)O[C@H]([N+](=O)[O-])[C@H]2c1ccc([N+](=O)[O-])cc1 100929283 UFKIGFOZDRJOGW-ZFWWWQNUSA-N 332.312 2.955 30 40 EFEB C=CCN(CC=C)C(=O)[C@@H]1CCC(=O)N(C)[C@H]1c1ccccc1F 57355162 LFFUVAJUXWMXLN-QAPCUYQASA-N 330.403 2.936 30 40 EFEB CN(C(=O)CSc1nnc2n1CCCCC2)C1(C#N)CCCCC1 6098440 ZDVSYTMEHBISME-UHFFFAOYSA-N 347.488 2.781 30 40 EFEB C(=N/Nc1nncc2ccccc12)\c1ccc(N2CCOCC2)s1 6287701 FJYSUGXHUVMWQG-XDHOZWIPSA-N 339.424 2.974 30 40 EFEB COC(=O)c1ccc(Cl)c(/N=C/c2ccc(OCC(N)=O)cc2)c1 408904852 PNAVXWNKPMWDCD-AWQFTUOYSA-N 346.770 2.741 30 40 EFEB COc1ccc(Br)cc1Cn1nc(C)c(C)c(C#N)c1=O 7385034 VHFPHDBQVBXCBS-UHFFFAOYSA-N 348.200 2.551 30 40 EFEB C=C(C)COc1cc(CNC[C@H]2CCc3nncn3C2)ccc1OC 72254147 AJKNNYZMKSCFNP-MRXNPFEDSA-N 342.443 2.594 30 40 EFEB 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2.591 30 40 EFEB Cc1noc(NS(=O)(=O)c2ccc(/N=N\C(C#N)C#N)cc2)c1C 56681692 RIYSDCJUWHSFHK-ZCXUNETKSA-N 344.356 2.592 30 40 EFEB O=C1[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@H]34)[C@@H]2C(=O)N1/N=C/c1ccc(Cl)cc1 100199804 RJMHKOAACSZNAE-MFOOCNELSA-N 326.783 2.727 30 40 EFEB C#Cc1cccc(N(Cc2cccs2)C(=O)CCS(C)(=O)=O)c1 76830687 CGZMOMUJDJYIEC-UHFFFAOYSA-N 347.461 2.697 30 40 EFEB C#C[C@H]1C[C@@H]2CC(=O)[C@H]3[C@@H]4CCC(=O)[C@@]4(C)CC[C@@H]3[C@@]2(C)C[C@@H]1O 118915158 RMHPKQZBZCPFIM-FGKUYIGHSA-N 328.452 2.997 30 40 EFEB N#Cc1ccc(Cl)cc1NC(=O)COC(=O)c1ccc(O)cc1 3224800 IWUWOIDRILRZIT-UHFFFAOYSA-N 330.727 2.713 30 40 EFEB Cn1ccnc1[C@H](NC(=O)c1cccc(C#N)c1)c1ccccc1F 44890276 BOUYDBNTOJWMEZ-QGZVFWFLSA-N 334.354 2.950 30 40 EFEB N#Cc1cc(F)c(NCCCN2C(=O)NC3(CCCC3)C2=O)c(F)c1 58280659 BEYYULWIXXOXAV-UHFFFAOYSA-N 348.353 2.503 30 40 EFEB C=CCN(CCc1ccccc1)C(=O)c1cccc(-n2cnnn2)c1 58218466 IWHQPHYGTGQTQE-UHFFFAOYSA-N 333.395 2.533 30 40 EFEB Cc1c(N[C@H]2CCCN(c3ncccn3)C2)cc(C#N)cc1[N+](=O)[O-] 44976716 BPDNHPBMUOSMNS-AWEZNQCLSA-N 338.371 2.646 30 40 EFEB CCCCN1C(=O)[C@H](CC(=O)NCC)S/C1=N/c1ccccc1 13136142 LZQCVUXHBSXQFM-HMWBCQRISA-N 333.457 2.944 30 40 EFEB N#Cc1ccc(C(=O)OCC(=O)NCc2cccc(Cl)c2)cc1 6637477 CQNBOYVHXHWCPE-UHFFFAOYSA-N 328.755 2.685 30 40 EFEB Cc1cc(=O)[nH]c(N/N=C/c2c(-c3ccccc3)nc3ccccn23)n1 9492222 WWIBYUPWMOWMBP-UDWIEESQSA-N 344.378 2.839 30 40 EFEB COc1cc(OC)cc([C@H]2CCN(C(=O)c3cc(C#N)c[nH]3)C2)c1 81844108 LZCQBJHQNFQYNY-ZDUSSCGKSA-N 325.368 2.533 30 40 EFEB CCOC(=O)[C@H](Cc1ccccc1)N(C)C(=O)c1ccc(C#N)cc1 69659598 TUDUDCGRGDTUCA-SFHVURJKSA-N 336.391 2.805 30 40 EFEB C#CCN1CCN(C(=O)Nc2cccc(COC(C)C)c2C)CC1 95981881 CZNGFGVOLGMPMP-UHFFFAOYSA-N 329.444 2.703 30 40 EFEB CN(CCn1cnnc1)C(=O)Nc1ccccc1C#Cc1ccccc1 89346551 HMYFLGLTXRZXJB-UHFFFAOYSA-N 345.406 2.842 30 40 EFEB C/N=C1\S/C(=C\c2cccn2-c2cccc(C(=O)O)c2)C(=O)N1C 409098919 RJGBTAZFDWZZCP-GVXDGLBUSA-N 341.392 2.707 30 40 EFEB CC(C)N(CC#CCNC(=O)c1cc(-c2ccco2)on1)C(C)C 75164416 AIOCBTJMKVLJGT-UHFFFAOYSA-N 329.400 2.787 30 40 EFEB CCOc1ccc(S(=O)(=O)N(C)c2ccc(CC#N)cc2)cc1 224594690 BATKHRCKGGSJLU-UHFFFAOYSA-N 330.409 2.976 30 40 EFEB C=CCN1CCC[C@@]12CCCN(S(=O)(=O)c1ccc(F)cc1)C2 96214812 LXXUPICUWYCJHT-KRWDZBQOSA-N 338.448 2.631 30 40 EFEB N#CC1(C(=O)NCCCCn2cc(Br)cn2)CCCC1 279331588 GUCRDMKTZAXRGN-UHFFFAOYSA-N 339.237 2.626 30 40 EFEB C[C@@H](CC(=O)NC1(C#N)CCOCC1)C(=O)c1ccc(Cl)cc1 95992076 HRJGBNQFLRMOHO-LBPRGKRZSA-N 334.803 2.738 30 40 EFEB COC(=O)c1ccc(Cl)c(-c2ccc(/C=N\n3cnnc3)o2)c1 559111 ULDXRAHPXRIPEC-GXHLCREISA-N 330.731 2.860 30 40 EFEB CC(C)N/C(=N/S(=O)(=O)/N=C(\O)c1ccccc1)c1ccccc1 18157296 BOCHRHSHNDXKTQ-UHFFFAOYSA-N 345.424 2.681 30 40 EFEB COc1cc(/C=N/N=c2/sc3ccccc3n2C)cc(OC)c1O 3254503 MIDIDGOLGKAKSU-PLZFDSBDSA-N 343.408 2.897 30 40 EFEB COc1ccc(NC(=O)[C@H]2CCCN2/C=C/C(=O)C(F)(F)F)cc1 4175685 KSITXJRPNOYZBH-AORWBKJGSA-N 342.317 2.743 30 40 EFEB N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)[C@@H]2CC=CCC2)CC1 24381000 XXEXZIRQFXZNJO-SJLPKXTDSA-N 327.403 2.891 30 40 EFEB N#CCC[C@@H](C#N)CN1CCN(CCOc2ccccc2Cl)CC1 25305341 MHZVKMPKOPUFIQ-INIZCTEOSA-N 346.862 2.780 30 40 EFEB Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N(C)Cc1cccc(C#N)c1 56041613 XAPLFAYAURDRSM-UHFFFAOYSA-N 345.380 2.596 30 40 EFEB CCOc1cc2c(cc1/C=N/Nc1ncccc1[N+](=O)[O-])OCO2 409071346 QSWFXDNNAILVCM-CAOOACKPSA-N 330.300 2.563 30 40 EFEB CC[C@@]1(c2ccccc2)NC(=O)N(CCOc2ccc(C#N)cc2)C1=O 8753309 GSJDTIUIANBYKF-FQEVSTJZSA-N 349.390 2.794 30 40 EFEB Cc1cccc(NC[C@@H]2CCN(Cc3cnc4ccc(C#N)cn34)C2)n1 92813151 QWOAYZQPAZAQBX-KRWDZBQOSA-N 346.438 2.843 30 40 EFEB Cc1cc(C)cc(N2CC(=O)C(c3nc4ccccc4n3C)=C2N)c1 5646410 BQTBBYQJMBMORT-UHFFFAOYSA-N 332.407 2.907 30 40 EFEB Cc1nn(CCC#N)c(C)c1CCC(=O)NOCc1ccccc1 25039685 ZIBRYAGZEQIIOA-UHFFFAOYSA-N 326.400 2.594 30 40 EFEB CCOC(=O)c1cc(C#N)c(=S)n2c1NCN(Cc1ccco1)C2 9420012 KSCZPNHRPYNDPU-UHFFFAOYSA-N 344.396 2.702 30 40 EFEB C[C@H](CCc1ccc(F)c(F)c1)NS(=O)(=O)CC1(C#N)CC1 95944267 JYRARKGRAFASHF-LLVKDONJSA-N 328.384 2.509 30 40 EFEB Cc1nn(Cc2ccc(C#N)cc2Br)c(C)c1CCO 95939571 MKAKJHINXTZXNQ-UHFFFAOYSA-N 334.217 2.717 30 40 EFEB N#Cc1ccc(N2CCN(Cc3nc(-c4ccccc4)co3)CC2)cn1 301504108 HZNYWKXJRVAVQM-UHFFFAOYSA-N 345.406 2.930 30 40 EFEB Cc1cc(NS(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)no1 83577386 QDCATGLYOYWHAA-UHFFFAOYSA-N 331.275 2.674 30 40 EFEB Cc1cc([C@@H](C)NS(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)c(C)o1 95432850 NQBRLYVYZNISNQ-SNVBAGLBSA-N 349.368 2.716 30 40 EFEB C=C[C@@](C)(CCOC)C(=O)NCCc1ncc(-c2ccccc2)[nH]1 1644450523 LNVOPKPRRASZQS-IBGZPJMESA-N 327.428 2.964 30 40 EFEB CCCC/N=C(/NCCCOCC)NCCc1cn2c(n1)CCCC2 71905340 KTXDKCZDOCBECY-UHFFFAOYSA-N 349.523 2.524 30 40 EFEB C#CCOc1c(Br)cc(/C=C/C(=O)O)cc1OCC 6350928 BONJENSSPAUADZ-AATRIKPKSA-N 325.158 2.958 30 40 EFEB CO/N=C/C(=N\Nc1ccc([N+](=O)[O-])cc1)C(=O)c1ccccc1 100377547 WRDDDKRCDKGLBW-DEBUNUGRSA-N 326.312 2.878 30 40 EFEB Cc1c(F)cc(C(=O)O)cc1S(=O)(=O)Nc1ccc(C#N)cc1 60800308 AQEGRYCYYSCCKR-UHFFFAOYSA-N 334.328 2.505 30 40 EFEB COc1ccc(/C=N/N=C2/NC(=O)[C@@H](Cc3ccccc3)S2)cc1 1452922 JGQVEVIVUMXFCP-PUMYGXPMSA-N 339.420 2.859 30 40 EFEB c1cc(CN/C(=N\C2CC2)NCCCOC[C@@H]2CCCO2)cs1 95397731 HERRZGISMXOINO-INIZCTEOSA-N 337.489 2.531 30 40 EFEB O/N=C1\CC/C(=N\O)c2nn(-c3ccc(Cl)cc3Cl)nc21 100639716 SWHTVRNGLVFMQL-YPOGWSRFSA-N 326.143 2.725 30 40 EFEB CCn1cc(C(=O)Nc2ccc(C#N)cc2)c(=O)c2ccc(C)nc21 3382402 MMYXIZXEVZOFTF-UHFFFAOYSA-N 332.363 2.849 30 40 EFEB CCOC(=O)c1ccc(N/N=C2\C(=N)NN=C2c2ccccc2)cc1 5799576 VEABACHZWAOVLE-UHFFFAOYSA-N 335.367 2.616 30 40 EFEB N#Cc1c(-c2cccc([N+](=O)[O-])c2)nc(N2CCCCC2)c(C#N)c1N 96336693 BNJKUVSYMLOVTQ-UHFFFAOYSA-N 348.366 2.973 30 40 EFEB CCn1cnnc1CN/C(=N/C)N[C@@H](C)c1ccc(CC(C)C)cc1 95959590 CNPRSEVIKPJELS-HNNXBMFYSA-N 342.491 2.923 30 40 EFEB CNc1ccc(C(=O)OCCOc2ccc(C#N)cc2)cc1[N+](=O)[O-] 9924495 CYJJVXKNLSEXHF-UHFFFAOYSA-N 341.323 2.744 30 40 EFEB CCc1ccc(C(=O)Nc2ccc(N3CCC(O)CC3)c(C#N)c2)o1 75180897 XPKLFLQEAGDGAH-UHFFFAOYSA-N 339.395 2.927 30 40 EFEB C=C(C)CN(CC)C(=O)Nc1cccc(N2CCN(C(C)=O)CC2)c1 186931245 BGZSWTMFWRBZCX-UHFFFAOYSA-N 344.459 2.785 30 40 EFEB N#Cc1c(NC(=O)c2nccnc2C(=O)O)sc2c1CCCCC2 71283610 PGLDLMIINJJHPK-UHFFFAOYSA-N 342.380 2.629 30 40 EFEB Cc1ccc(S(=O)(=O)[C@H]2[C@H](c3ccccc3)[C@@]2(C#N)C=O)cc1 225633958 BZJSWOFGLCEHBZ-OKZBNKHCSA-N 325.389 2.644 30 40 EFEB Cc1cc(C(=O)N2C[C@@H]3CCCN3Cc3ccccc32)ncc1C#N 580627011 YWHKESKJLOZWRF-KRWDZBQOSA-N 332.407 2.887 30 40 EFEB C=C[C@H](C)NC(=O)N1CCO[C@H](c2cccc(OC(F)F)c2)C1 95442767 RPMZUMGVUSXDHP-FZMZJTMJSA-N 326.343 2.945 30 40 EFEB Cc1ccnc(N2CCN(c3cc(C#N)c4ccccc4n3)CC2)n1 1889151944 RUWOVKAYKAQLCT-UHFFFAOYSA-N 330.395 2.532 30 40 EFEB N#Cc1ccc(C(=O)N2C[C@H](c3ccccc3)[C@@H](c3ncon3)C2)cc1 238878127 OOOSDJRRWPWVMN-MSOLQXFVSA-N 344.374 2.965 30 40 EFEB COc1cc([C@H](C)Nc2nnc(C)c(C)c2C#N)ccc1OCCO 44977066 MJFVIPOYORDBKQ-ZDUSSCGKSA-N 342.399 2.518 30 40 EFEB N#C[C@H](C(=O)NC1CC1)C(=O)[C@H]1C[C@@H]1c1cccc(C(F)(F)F)c1 110585887 SOACJDFEQJYOHK-RDBSUJKOSA-N 336.313 2.796 30 40 EFEB CN1CCN(C[C@H](NCc2cccc(C#N)c2)c2ccccc2)CC1 69171111 ZLLVVNHZGYYCIP-NRFANRHFSA-N 334.467 2.637 30 40 EFEB C=CCN(C(=O)Cn1c(C)csc1=O)c1nc2c(s1)CCCC2 12914180 UTWLDVOTXXQGMP-UHFFFAOYSA-N 349.481 2.773 30 40 EFEB O=[N+]([O-])c1cc(S(=O)(=O)N/N=C/c2cccs2)ccc1Cl 6053015 RLOFGWCDZFOXOB-NTUHNPAUSA-N 345.789 2.622 30 40 EFEB CC(C)n1ncc2cc(NC(=O)COc3ccc(C#N)cc3)cnc21 14227294 ONMRHVITZBPDQC-UHFFFAOYSA-N 335.367 2.901 30 40 EFEB C=CCNC(=O)c1ccccc1NC(=O)c1cccnc1SC 16470734 NCSIXTBCXVVQFI-UHFFFAOYSA-N 327.409 2.972 30 40 EFEB C[C@@H](C(=O)Nc1ccc(C#N)cc1)n1nnc(-c2ccc(F)cc2)n1 9585376 ZVXFWYRBJRADPC-NSHDSACASA-N 336.330 2.551 30 40 EFEB COc1ccc([C@@H](C#N)NC(=O)c2cccn2C2CC2)c(OC)c1 97048315 JXOIRNBTGDNHMI-OAHLLOKOSA-N 325.368 2.835 30 40 EFEB CCc1ccc(C(=O)[C@H](C#N)c2nc(C)cs2)cc1S(C)(=O)=O 95451834 RVTFEYWKCHTFBG-ZDUSSCGKSA-N 348.449 2.908 30 40 EFEB COC(=O)[C@@H](C)c1c(C)nn(Cc2cn3ccccc3c2C#N)c1C 89520860 GFLKUSLCHXJDOO-LBPRGKRZSA-N 336.395 2.949 30 40 EFEB C=C[C@@H]1OCCC[C@H]1NC(=O)[C@H](C)Oc1cnc2ccccc2c1 568479573 PANVFYKWPNHRSA-VHSSKADRSA-N 326.396 2.852 30 40 EFEB N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)Cn2ccnn2)cc1 96454920 IWEOCRIVCLWNGI-UHFFFAOYSA-N 349.369 2.518 30 40 EFEB CC(=O)N[C@]1(c2nc(C)cs2)CCN(c2ccc(F)cc2C#N)C1 548662031 GUUYRIYEWRVIJI-QGZVFWFLSA-N 344.415 2.704 30 40 EFEB N#CC1(C#N)[C@H](c2cccnc2)O[C@@]23CCCCC[C@H]2[C@]1(C#N)C(=N)O3 5068773 PWRHDKABVDIAPR-ILRDRHFLSA-N 347.378 2.981 30 40 EFEB CN(Cc1ccc(C(=O)NC2CC2)cc1)C(=O)c1cccc(C#N)c1 31198506 MDONMHSMJBJQAB-UHFFFAOYSA-N 333.391 2.723 30 40 EFEB C[C@@H](Oc1ccccc1C#N)/C(O)=N/c1nc(-c2ccccn2)n[nH]1 53526782 KRCTWADXMFOYKJ-LLVKDONJSA-N 334.339 2.794 30 40 EFEB CCN1CCN(c2oc(COc3ccc(C)cc3)nc2C#N)CC1 108341 CXVUXSNGFGTGIM-UHFFFAOYSA-N 326.400 2.576 30 40 EFEB CC[N+]1(CC(=O)c2ccccc2)CCO[C@@](O)(c2ccccc2)C1 1668051 SHIQEJHMCRIJHH-VQCQRNETSA-N 326.416 2.582 30 40 EFEB N#Cc1ccc(OCc2nnnn2-c2ccc(OC(F)F)cc2)cc1 58160958 SECLNKQLEZLCNP-UHFFFAOYSA-N 343.293 2.714 30 40 EFEB Cc1cc(/C(O)=N/c2nc(-c3ccccn3)n[nH]2)c2c(C)noc2n1 53525820 DRMXFDHNWNASJN-UHFFFAOYSA-N 335.327 2.656 30 40 EFEB CN(CCC(=O)Nc1ccc(C#N)cc1)Cc1ccc2c(c1)OCO2 12997748 PEASHWHWOZHGBK-UHFFFAOYSA-N 337.379 2.748 30 40 EFEB C[C@H](C#N)CN(C)Cc1cc2c(cc1Br)OCCO2 49001114 DJAFVAUZUGZZKH-SNVBAGLBSA-N 325.206 2.812 30 40 EFEB CCc1nc(C/C(O)=N/S(=O)(=O)Cc2ccccc2C#N)cs1 66002508 FIPYNCMZQAFZHE-UHFFFAOYSA-N 349.437 2.606 30 40 EFEB C#CCNC(=O)CSc1ncnc2sc3c(c12)CC[C@H](C)C3 7329037 NVEIMLHALIWFRI-JTQLQIEISA-N 331.466 2.658 30 40 EFEB Cc1nc(C(=O)N2CCN([C@@H](C#N)C3CCCCC3)CC2)cs1 71833088 RYWVQOAJBXYTLZ-INIZCTEOSA-N 332.473 2.682 30 40 EFEB CCS(=O)(=O)CC/C(N)=N/OCc1ccc(Cl)c(Cl)c1 70019309 RBOLTSHYYPMYFI-UHFFFAOYSA-N 339.244 2.607 30 40 EFEB C[C@H](CC#N)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C 69741240 OAQGQFWUVAMLOE-HIFRSBDPSA-N 331.416 2.541 30 40 EFEB COc1ccccc1[C@H](NC(=O)c1cccc(C#N)c1)c1noc(C)n1 70981895 DGHVJWCWTOLEDL-KRWDZBQOSA-N 348.362 2.778 30 40 EFEB CC(C)n1nc2c(cc1=O)CN(Cc1cn3ccccc3c1C#N)CC2 76064962 COCXPSIHJAZENR-UHFFFAOYSA-N 347.422 2.507 30 40 EFEB CN(C)C(=O)COc1ccc(NCc2cc(C#N)cs2)c(F)c1 96486300 DWSZTPKGYSJTHA-UHFFFAOYSA-N 333.388 2.838 30 40 EFEB O=C(NCC#CCOc1cccc(C(F)(F)F)c1)c1ccccn1 85474069 DGAOVRHKQSXASE-UHFFFAOYSA-N 334.297 2.913 30 40 EFEB O=C(C[C@@H]1S/C(=N\N=C\c2ccco2)NC1=O)c1cccs1 6101727 BZXXRCJUKMCCNV-AAWHYMEISA-N 333.394 2.536 30 40 EFEB Cc1nnc(S)n1/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 8227861 IVLWFRWERHWJGK-OVCLIPMQSA-N 329.341 2.926 30 40 EFEB O=c1[nH]c(/N=C/c2cc(Br)ccc2O)cc(=S)[nH]1 5530663 ZWFCWVQLPDGKDX-WLRTZDKTSA-N 326.175 2.651 30 40 EFEB N#Cc1ccc(N2C[C@@H]3[C@H](CCN3c3nc4cnccc4s3)C2)nc1 1889179486 OLJRPDDNOMJEDH-UKRRQHHQSA-N 348.435 2.673 30 40 EFEB CNC(=O)[C@H](C#N)C(=O)c1csc(-c2ccc(OC(C)C)cc2)n1 101927901 UXQCVFZAXNODEW-CYBMUJFWSA-N 343.408 2.666 30 40 EFEB Cc1csc([C@H](C#N)C(=O)c2cccc3c2O[C@@H](C)C(=O)N3)n1 103795973 LJNMTRYXFPTKIS-GXSJLCMTSA-N 327.365 2.661 30 40 EFEB CC(C)[C@H]1O[C@@]2(C)OC3=NC(=N)[C@](C#N)([C@@H]2c2ccccc2)[C@@]31C#N 4425596 ZGAYWLBTBNDYAN-CSJNCLCHSA-N 334.379 2.981 30 40 EFEB C=CCn1nnc(NC(=O)c2cccc(OCc3ccccc3)c2)n1 10010739 NPXSXYMLIWNMNX-UHFFFAOYSA-N 335.367 2.690 30 40 EFEB C[C@@H]1CN(c2ccc(CNCc3ccc(C#N)cc3)cn2)C[C@@H](C)O1 48713426 AEJYQJSBFODXBM-HZPDHXFCSA-N 336.439 2.857 30 40 EFEB COc1ccc(/C=C/C(=O)c2ccc(NS(C)(=O)=O)cc2)cc1O 64307937 UYSSTHDSLZNIFM-YCRREMRBSA-N 347.392 2.668 30 40 EFEB COc1ccc(C(=O)[C@@H](C#N)c2nc3ccccc3[nH]2)cc1[N+](=O)[O-] 6650794 QAAWPSPJRNNXOM-LLVKDONJSA-N 336.307 2.970 30 40 EFEB C[C@@H]1CCC[C@](C#N)(NC(=O)c2cnn(CCN3CCCCC3)c2)C1 73767047 QFWXUUGWCMYZQL-APWZRJJASA-N 343.475 2.571 30 40 EFEB Cc1noc(C)c1[C@H](C)NC(=O)N1CC(Oc2ccc(C#N)cc2)C1 97378261 KQARVIKOOVLUHC-NSHDSACASA-N 340.383 2.697 30 40 EFEB Cc1nn(C(F)F)c(C)c1CC(=O)N1Cc2ccc(C#N)cc2C1 585090804 LQMNYFVTCHDDQD-UHFFFAOYSA-N 330.338 2.852 30 40 EFEB Cc1c(C(=O)N(C)Cc2ccc(OC(F)F)cc2)cnn1CCC#N 585125762 DZGKVXVYEGEJJY-UHFFFAOYSA-N 348.353 2.979 30 40 EFEB COc1ccc(/C=N/n2c(C)nnc2S)cc1Br 5547798 FDYSVVAWISSMGX-AWNIVKPZSA-N 327.207 2.529 30 40 EFEB O=C1CS/C(=N\c2ccccc2)N1S(=O)(=O)c1ccccc1 18036854 DAIZRJXBFWFFAK-NXVVXOECSA-N 332.406 2.638 30 40 EFEB N/C(=N\C(=O)c1ccc([N+](=O)[O-])cc1)Nc1nc2ccccc2s1 4367037 ZHMUFWDIBLALPH-UHFFFAOYSA-N 341.352 2.772 30 40 EFEB CCN(CC)C(=O)c1cn(CCC#N)nc1-c1ccc(OC)cc1 4516898 KQXIRGUWDRTFDX-UHFFFAOYSA-N 326.400 2.954 30 40 EFEB CSc1ncc(C#N)c(N2CCC[C@H](COc3ccncc3)C2)n1 1889101376 HEHFJZDVIAAKRH-ZDUSSCGKSA-N 341.440 2.761 30 40 EFEB CN/C(=N\c1ccccc1)S[C@@H]1CC(=O)N(c2ccccc2)C1=O 101081960 FYBUJYBCDUWZMF-OAHLLOKOSA-N 339.420 2.959 30 40 EFEB CNC(=O)[C@H](C#N)C(=O)c1sc(-c2ccccc2Cl)nc1C 103732481 QVBVOGFWFOCFFB-SNVBAGLBSA-N 333.800 2.840 30 40 EFEB CSc1nc(C2CC2)cc(C(=O)N2C[C@H](C)O[C@@H](C)C2)c1C#N 53675026 VNKLBJLCAHVFLT-QWRGUYRKSA-N 331.441 2.802 30 40 EFEB Cc1ccc(NC(=O)CSc2ncc(C#N)c(N)n2)cc1Cl 421364 VRSLMPROGQBSSE-UHFFFAOYSA-N 333.804 2.623 30 40 EFEB C=CCN(Cc1cccs1)C(=O)c1ccc(CNC(N)=O)cc1 44868750 XTIGAXFOGYOWKV-UHFFFAOYSA-N 329.425 2.745 30 40 EFEB CN(c1cccc(C#N)c1)S(=O)(=O)c1cnn(-c2ccccc2)c1 58296484 YPMRINZCBPWVQL-UHFFFAOYSA-N 338.392 2.569 30 40 EFEB C=CCN(CCc1ccccc1)C(=O)c1cnc2ccccn2c1=O 58311044 HAKDWYGGWCACGL-UHFFFAOYSA-N 333.391 2.565 30 40 EFEB C[C@H](OC(=O)c1ccc(Cl)cc1N)C(=O)Nc1cccc(C#N)c1 5118329 NMVXOISQGBJXFA-JTQLQIEISA-N 343.770 2.978 30 40 EFEB CCn1cc(S(=O)(=O)/N=C(\O)c2ccc3sccc3c2)cn1 95415983 BWQCUMSTXMJZFI-UHFFFAOYSA-N 335.410 2.811 30 40 EFEB CCOc1cc(C=NO)ccc1OCC(=O)Nc1ccccc1OC 409018183 YEGLRYDUOJLEIV-UHFFFAOYSA-N 344.367 2.920 30 40 EFEB N#Cc1ccc(C(=O)N(c2cccc(F)c2)C2CCOCC2)nc1 95991110 VBLVEMVOFADZBN-UHFFFAOYSA-N 325.343 2.918 30 40 EFEB C=CCC[C@@H](O)CN1CCCN(C(=O)c2ccc(Cl)cc2)CC1 96473571 HSODLYXYIMKRLU-QGZVFWFLSA-N 336.863 2.815 30 40 EFEB CN(C1(C#N)CCC1)S(=O)(=O)Cc1ccccc1C(F)(F)F 97101537 YFPCGPSWGJTPHJ-UHFFFAOYSA-N 332.347 2.913 30 40 EFEB N#Cc1nccnc1O[C@H]1CC[C@H](NC(=O)CC2CCCC2)CC1 252536624 IZMJTYQLWOTRGX-SHTZXODSSA-N 328.416 2.735 30 40 EFEB COc1cc(/C=C/C(=O)c2ncc(Cl)n2C)cc(OC)c1OC 585136053 NZGCZBUUAPQKOX-AATRIKPKSA-N 336.775 2.995 30 40 EFEB C[C@@H](N=c1cc(C#N)cn[nH]1)[C@H](OC1CCOCC1)c1ccccc1 596169697 KDRCQJLASKNEJN-KUHUBIRLSA-N 338.411 2.507 30 40 EFEB N#Cc1cc(C#N)c(SC[C@H]2COC3(CCCCC3)O2)nc1N 1616036563 NTBPVJUNIMGUGW-CYBMUJFWSA-N 330.413 2.575 30 40 EFEB C#CCCC1(CCC(=O)N[C@@H](C(=O)O)c2c(C)cccc2C)N=N1 1616032957 YBTQKFPQTHDRSP-MRXNPFEDSA-N 327.384 2.901 30 40 EFEB N#C[C@H](NC(=O)CC1(N2CCOCC2)CCCC1)c1ccccc1F 73336576 UHMJPZDAXDDGKM-KRWDZBQOSA-N 345.418 2.542 30 40 EFEB CC(C)Cc1ccc(S(=O)(=O)N/N=C\c2ccc(O)c(O)c2)cc1 32575701 YCMPIJZIJDXOIF-WQRHYEAKSA-N 348.424 2.609 30 40 EFEB CCCCn1c(=O)[nH]c(O)c(C(=O)/C=C/c2ccc(Cl)cc2)c1=O 9088497 JVRXJEPUWYMEAJ-RMKNXTFCSA-N 348.786 2.592 30 40 EFEB COc1cccc(S(=O)(=O)/N=C(\O)CCOCc2ccccc2)c1 58267459 NCBWBVCJEFPIEK-UHFFFAOYSA-N 349.408 2.947 30 40 EFEB CC(C)CCO[C@@H](C)/C(O)=N/S(=O)(=O)Cc1ccc(C#N)cc1 58392004 RPRRJFVFVHIEMJ-ZDUSSCGKSA-N 338.429 2.796 30 40 EFEB CC(=O)N[C@H]1[C@@H](O)C[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 118913915 FOJQXPABGWZAGJ-MQWPULPWSA-N 345.483 2.994 30 40 EFEB biogenic,in-vitro CN1C(=O)N[C@@H](c2ccccc2[N+](=O)[O-])C2=C1CC(C)(C)CC2=O 2550484 JOQDCBZVWSSHEO-HNNXBMFYSA-N 329.356 2.934 30 40 EFEB C/N=C1/S/C(=C/c2cccn2-c2cccc([N+](=O)[O-])c2)C(=O)N1C 408930611 ZLBIIUMYLSUBTF-ZSSTZYNTSA-N 342.380 2.917 30 40 EFEB Cc1ccccc1S(=O)(=O)/N=C(\O)c1cncc(OC(C)C)c1 89492468 LVVVOANDVFEYCW-UHFFFAOYSA-N 334.397 2.871 30 40 EFEB CC(C)S(=O)(=O)N1CC[C@H](N[C@@H](C)c2ccc(C#N)cc2)[C@@H](C)C1 76058011 WAUBCPIJWHVBOP-MPGHIAIKSA-N 349.500 2.657 30 40 EFEB Cc1cc(=O)[nH]c(N/N=C/c2cccc3nc4ccccc4nc23)n1 17186250 OHEFXVFOVDWUMQ-VXLYETTFSA-N 330.351 2.621 30 40 EFEB C[C@H](C(=O)Nc1cccc(C#N)c1)N(C)Cc1nccn1C(F)F 72766851 HNOPDCOVVQXHEZ-LLVKDONJSA-N 333.342 2.609 30 40 EFEB N#CCc1ccc(NC(=O)c2cccc(CN3CCOCC3)c2)cc1 44842391 MFBKDGLMIMKAJI-UHFFFAOYSA-N 335.407 2.837 30 40 EFEB N#Cc1ccc(CNC(=O)N2CC[C@H](n3cc(Cl)cn3)C2)cc1F 564636068 NARKXSMUZLTCDH-AWEZNQCLSA-N 347.781 2.704 30 40 EFEB C#Cc1cccc(NC(=O)NCCc2cccc(C(=O)N(C)C)c2)c1 96433924 FGHASTAQROPQDE-UHFFFAOYSA-N 335.407 2.734 30 40 EFEB Cc1ccccc1NC(=O)NCC#CCOc1ccc2c(c1)OCO2 90730967 UJRPBCIIFUGYHN-UHFFFAOYSA-N 338.363 2.928 30 40 EFEB CC(C)c1nc(CN2CCCN(c3ccccc3C#N)CC2)no1 53609387 NLDYWJRUWSPFIQ-UHFFFAOYSA-N 325.416 2.777 30 40 EFEB COc1ccc(C(=O)/C=C\c2ccc(OS(C)(=O)=O)cc2)cc1 12951853 YXPPMLLDRWMDSP-XGICHPGQSA-N 332.377 2.930 30 40 EFEB COc1cc(/C=N/N=C(\S)NCc2ccco2)cc(OC)c1OC 8860081 BBGXSCIKASXCPD-GIJQJNRQSA-N 349.412 2.715 30 40 EFEB Cc1csc(=O)n1CC(=O)c1cn(CCC#N)c2ccccc12 103915567 ADJRMVZKNMKXKX-UHFFFAOYSA-N 325.393 2.970 30 40 EFEB C[C@@H]1CCc2ccccc2N1C(=O)CO/N=C(/N)c1cccs1 54193563 CBBRSRWROFCEKM-GFCCVEGCSA-N 329.425 2.753 30 40 EFEB CCC(=O)C1=C(c2ccc(C)cc2)N(C(=O)CC)n2cnnc2S1 4518218 VHZDAXBAAGREAN-UHFFFAOYSA-N 342.424 2.915 30 40 EFEB C=CCNC(=O)N[C@H](CC)c1ccccc1OCC(=O)N1CCCC1 57441243 VSSUADGDXVRCHY-MRXNPFEDSA-N 345.443 2.624 30 40 EFEB O=C1Nc2c(cc(Cl)cc2[N+](=O)[O-])N/C1=C/C(=O)c1ccco1 104238072 ZHXWOZFNUJHNRW-RMKNXTFCSA-N 333.687 2.972 30 40 EFEB O=S(=O)(NN=C1CCN(Cc2ccccc2)CC1)c1ccccc1 36047004 IPXBSGYUQQAOFN-UHFFFAOYSA-N 343.452 2.617 30 40 EFEB O=[N+]([O-])c1ccc(N/N=C/c2cc3c(cc2[N+](=O)[O-])OCO3)cc1 20823170 HPRWSYSVYVBTAT-VIZOYTHASA-N 330.256 2.678 30 40 EFEB COc1cccc(/C=C2\CS(=O)(=O)c3c(F)cccc3C2=O)c1 13984872 XNTOCRFUUPHQNM-XYOKQWHBSA-N 332.352 2.888 30 40 EFEB N#C[C@@H](C(=O)CNC(=O)OCc1ccccc1)c1nc2ccccc2o1 67799240 BWZDSUVHJZQSBD-AWEZNQCLSA-N 349.346 2.930 30 40 EFEB Cc1nn(CC(=O)c2cc(C)n(C(C)C)c2C)c(=O)c(C#N)c1C 7384796 CJCRUOCKURHFOC-UHFFFAOYSA-N 326.400 2.614 30 40 EFEB C=CCN(Cc1cccs1)C(=O)c1n[nH]c(=O)c2ccccc12 9737405 MXLDDYRYCIQPRM-UHFFFAOYSA-N 325.393 2.813 30 40 EFEB C[C@H](C#N)CNC(=O)Nc1ccc(C(=O)NCc2ccccc2)cc1 84638416 IAMSIKXPDIURAU-CQSZACIVSA-N 336.395 2.898 30 40 EFEB COc1cc2c(cc1/C=N/OCc1cccc([N+](=O)[O-])c1)OCO2 408593397 PMWZVUDUZSDJLW-CAOOACKPSA-N 330.296 2.883 30 40 EFEB C=CC[C@@]1(C(=O)OC)C(=O)C[C@H]2CC[C@@H]1N2Cc1ccc(F)cc1 72340215 GMCXELCFTKXPRM-GJYPPUQNSA-N 331.387 2.867 30 40 EFEB Cn1cc(/C=N/N2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@@H]5C[C@H]45)[C@H]3C2=O)c2ccccc21 226669091 UPHRIRMXYZVLDE-KABANOKWSA-N 345.402 2.565 30 40 EFEB C=CC1(CC(=O)NCC[C@H](C)NC(=O)[C@@H](CC)OC)CCCCC1 1077331240 QVKCYJTWPYMZDQ-JKSUJKDBSA-N 338.492 2.949 30 40 EFEB Cc1cc(C)c(C#N)c(NC[C@@H]2CCCO[C@H]2c2ccnn2C)n1 596505224 LMWKFKAKRLMGNM-WMLDXEAASA-N 325.416 2.883 30 40 EFEB N#Cc1cc(C(F)(F)F)ccc1N1CC[C@H](c2cc(O)nc(N)n2)C1 600878277 ADJAPPKRNQHDLC-VIFPVBQESA-N 349.316 2.649 30 40 EFEB CC[C@@H](C)/N=C(/S)N1CCN(Cc2ccc3c(c2)OCO3)CC1 13522478 ZDKRRISQBLLVLG-CYBMUJFWSA-N 335.473 2.617 30 40 EFEB CN1/C(=C\C(=O)COC(=O)c2cnccn2)C(C)(C)c2ccccc21 18129114 DTUQDGDDXVIUQS-YVLHZVERSA-N 337.379 2.514 30 40 EFEB Cc1nc2ncnn2c(N2CCC(C#N)(c3ccccc3)CC2)c1C 2086867338 LFKIZUNCGWSFEZ-UHFFFAOYSA-N 332.411 2.803 30 40 EFEB N#CC(C#N)=c1ccc(=C(C#N)c2ccc(N3CCCCC3)cc2)cc1 345319 LGBGVBDJENNOPB-UHFFFAOYSA-N 338.414 2.597 30 40 EFEB Cc1ccsc1C(=O)[C@H](C#N)C(=O)N(CC(F)(F)F)C1CC1 102758107 GALAOKJDQXJFLG-JTQLQIEISA-N 330.331 2.932 30 40 EFEB COc1cc(C#N)ccc1OCC(=O)N[C@@H]1CCOc2ccccc21 27497607 GTJIHZNPVLXJEM-OAHLLOKOSA-N 338.363 2.586 30 40 EFEB O=C1[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@H]34)[C@@H]2C(=O)N1/N=C\c1ccccc1Cl 100201841 UZVXTCIYZHORKC-QDVCMXLOSA-N 326.783 2.727 30 40 EFEB C=CCc1cccc2cc(C(=O)N3C[C@H](C)O[C@@H](C)C3)c(=O)oc12 11565759 HCZBNNXBJCJAER-STQMWFEESA-N 327.380 2.771 30 40 EFEB N#Cc1cccc(NC(=O)CCNC(=O)c2ccc(Cl)cc2)c1 2630610 BREZZSSNMMFFOB-UHFFFAOYSA-N 327.771 2.970 30 40 EFEB C#CCOc1ccccc1CNCc1ccc(-n2ccnc2C)nc1 48782378 PGHRZQNVTDJPSC-UHFFFAOYSA-N 332.407 2.878 30 40 EFEB N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)c2ccc(F)cc2)CC1 14157667 CSQKLFKEIZECBL-GOSISDBHSA-N 341.361 2.987 30 40 EFEB COC(=O)c1c(C)[nH]c(C(=O)[C@H](C)Oc2ccc(C#N)cc2)c1C 5868488 VSACQSQRIHBMKA-LBPRGKRZSA-N 326.352 2.940 30 40 EFEB Cc1cc(N2CCCC2)ccc1C=Nn1c(O)nc2ccccc2c1=O 409358543 LLBRYGCKWQTZIH-UHFFFAOYSA-N 348.406 2.893 30 40 EFEB N#Cc1ccc(CN[C@H]2CCCN(Cc3noc(C4CC4)n3)C2)cc1 69599044 NPIMLRHVKJRWTL-KRWDZBQOSA-N 337.427 2.573 30 40 EFEB COc1cc(C(=O)N(CCC#N)Cc2ccccn2)cc(OC)c1C 69776893 VLIRVUXADUBJSE-UHFFFAOYSA-N 339.395 2.963 30 40 EFEB Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)[C@@H]1CCC(=O)N1 69807672 LWLBBTHOZJTOIM-SFHVURJKSA-N 349.390 2.663 30 40 EFEB N#Cc1cccc(NC(=O)NCC[S@](=O)c2ccccc2F)c1 77507589 XHWBIYPHGKLLHH-HSZRJFAPSA-N 331.372 2.627 30 40 EFEB C/N=C(/NCC1(C(=O)N(C)C)CCCC1)N[C@@H](C)c1ccccc1 96461879 OXBYXQWQYMJUNT-HNNXBMFYSA-N 330.476 2.561 30 40 EFEB Cc1cc(C#N)ccc1S(=O)(=O)N(CC#N)Cc1ccccc1 96419760 IRIBMFGOYMMRFQ-UHFFFAOYSA-N 325.393 2.581 30 40 EFEB CC(C)(C)N(CCS(C)(=O)=O)C(=O)c1ccc(C2(C#N)CC2)cc1 97100997 DRIRNUXEQLEFOZ-UHFFFAOYSA-N 348.468 2.527 30 40 EFEB CCC/N=C1\NC(=O)[C@@H](CC(=O)Nc2ccccc2Cl)S1 5870240 QFIGCQVWLGAOKI-LLVKDONJSA-N 325.821 2.666 30 40 EFEB COc1ccc(/C=N/Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(O)c1 4416444 QEJWUNVLOVIBRP-OVCLIPMQSA-N 332.272 2.663 30 40 EFEB C=CCN1C(=O)N[C@@H](c2ccccc2F)C(C(=O)OCCOC)=C1C 32665969 ZQPBPQRNWOZBJN-INIZCTEOSA-N 348.374 2.542 30 40 EFEB CCCc1ccc(C(=O)[C@H](C#N)C(=O)c2cnn3cccnc23)cc1 103259706 IEMWUGMTPSINPJ-HNNXBMFYSA-N 332.363 2.887 30 40 EFEB COc1ccc([C@@H]2c3sc(=O)[nH]c3SC[C@H]2C=O)cc1OC 587359 GPVRNEQZVHQYAN-SKDRFNHKSA-N 337.422 2.506 30 40 EFEB CC/N=C(/NCCOC)NCc1ccc(Oc2cccnc2)c(F)c1 78751799 QKVXTAJNWBMEAY-UHFFFAOYSA-N 346.406 2.715 30 40 EFEB N#Cc1cc(C(=O)c2ccccc2O)cn(CCc2ccccc2)c1=O 3287220 JDFNGJVGJLMFHU-UHFFFAOYSA-N 344.370 2.899 30 40 EFEB CN1C(=S)S[C@](C)(/[N+]([O-])=C/c2cccc([N+](=O)[O-])c2)C1(C)C 3668045 JVHRRIFYMPBRGR-CIKBWMHTSA-N 339.442 2.982 30 40 EFEB N#Cc1ccc(OC[C@@H](O)CN2CCC[C@H](C(F)(F)F)C2)cc1 37200142 MMUCKABVBYRODB-KBPBESRZSA-N 328.334 2.572 30 40 EFEB C[C@@H]1C[C@H](/C(O)=N/S(=O)(=O)c2cccc(Cl)c2)CCC1=O 95461484 HDDXQEPLUUSFPR-NXEZZACHSA-N 329.805 2.991 30 40 EFEB N#Cc1ccc(OCCN2CC[C@@H](CNc3ncccc3C#N)C2)cc1 65496567 JWNHGQUPWAHAAY-KRWDZBQOSA-N 347.422 2.638 30 40 EFEB CN(C)c1cccc(CNC(=O)NCc2cc(C#N)ccc2F)c1 89326723 GWCRWNODWPAXEJ-UHFFFAOYSA-N 326.375 2.763 30 40 EFEB Cc1cccc([C@@H]2C[C@@H]2C(=O)N2CCN(c3cc(C#N)ccn3)CC2)c1 69379350 FYRFNDASTFAGJD-OALUTQOASA-N 346.434 2.714 30 40 EFEB N#Cc1cccc(NC(=O)CSc2nc3sccc3c(=O)[nH]2)c1 8456486 UDSIJVWWSGSIOE-UHFFFAOYSA-N 342.405 2.587 30 40 EFEB N#Cc1ccccc1Cn1nc(Br)nc1Br 67799803 IGHPEMMRQSICKM-UHFFFAOYSA-N 341.994 2.723 30 40 EFEB NC(=S)N/N=C\c1ccc2c(ccn2Cc2cccc(F)c2)c1 409227132 PDTXPACVINNDEC-JMIUGGIZSA-N 326.400 2.996 30 40 EFEB CCc1nnc(S)n1/N=C/c1cc(OC)c(OC)cc1Cl 408850715 CWANQEOKLARPGK-VIZOYTHASA-N 326.809 2.682 30 40 EFEB N#Cc1cccc(/C=C/C(=O)N[C@@H]2CCN(c3ccccc3F)C2=O)c1 78997690 JGSWYENJMSEUGX-KBOKABMXSA-N 349.365 2.632 30 40 EFEB O=S(=O)(/N=C(/O)Cc1cc(F)c(F)cc1F)c1ncccc1F 330032215 JMQVZPZDBCEXCT-UHFFFAOYSA-N 348.277 2.526 30 40 EFEB CN1CCN(C[C@H]2CCCN(c3c(Cl)cccc3C#N)C2)CC1 95403191 MKLNFFYXIZBCRV-OAHLLOKOSA-N 332.879 2.675 30 40 EFEB COc1ccc(NC(=O)NCC#CCN(C)Cc2ccccc2)cc1 85470640 ZSKHZQQUZSXTQQ-UHFFFAOYSA-N 337.423 2.952 30 40 EFEB COC(=O)COc1ccc2c(c1)O/C(=C\c1ccc(OC)cc1)C2=O 491186 UQDUTJMYOZHYDZ-MFOYZWKCSA-N 340.331 2.863 30 40 EFEB biogenic,in-vitro Cc1cc2[nH]c3c(C#N)c(OC(=O)N(C)C)c(C)c(=O)n3c2cc1C 1609061 LIZJGFFUPHMSDZ-UHFFFAOYSA-N 338.367 2.638 30 40 EFEB CCc1noc([C@H](C)N2CCCN(Cc3ccc(C#N)cc3)CC2)n1 44370996 KTEZXIOEUVPRSB-HNNXBMFYSA-N 339.443 2.773 30 40 EFEB CN(C)C(=O)C[C@H](NC(=O)Nc1ccc(C#N)cc1)c1ccccc1 58017016 QXTNPZPRLDVJGS-KRWDZBQOSA-N 336.395 2.899 30 40 EFEB C=CCn1c(S[C@H](C(=O)NC(N)=O)C(C)C)nc2ccccc21 4485659 TWRKLFYDOALOOF-ZDUSSCGKSA-N 332.429 2.534 30 40 EFEB N/C(=N\OC(=O)C12CC3CC(CC(C3)C1)C2)c1cccc([N+](=O)[O-])c1 4565121 WCLLUHSLEBVNPL-UHFFFAOYSA-N 343.383 2.975 30 40 EFEB C=CCn1c(S[C@@H](C)C(=O)OC)nc2ccc(Cl)cc2c1=O 5449900 RMOIHFFICIDHQM-VIFPVBQESA-N 338.816 2.890 30 40 EFEB COc1csc(C(=O)N[C@@H](C#N)c2cnn(-c3ccccc3)c2)c1 96446294 GIDNEVHVCMYPTR-HNNXBMFYSA-N 338.392 2.937 30 40 EFEB N#CC1(NC(=O)c2csc(Cc3cccc(F)c3)n2)CCOCC1 97054977 OMTVYQNTYKSIGD-UHFFFAOYSA-N 345.399 2.676 30 40 EFEB COc1cccc(C(=O)NCc2cc(C#N)ccc2F)c1[N+](=O)[O-] 194511750 FXMRQEBMVULBED-UHFFFAOYSA-N 329.287 2.544 30 40 EFEB C=CCN1CCC[C@@]12CCCN(C(=O)Cc1cccc(OC)c1)C2 96214750 XZXYMMNTUAKNOO-HXUWFJFHSA-N 328.456 2.881 30 40 EFEB C[C@@H]1CCC[C@@H](CCN(C)C)N1S(=O)(=O)c1ccsc1C#N 1614994316 FTJTZTWSCDYNJQ-OLZOCXBDSA-N 341.502 2.503 30 40 EFEB CC(=O)Nc1ccc(S(=O)(=O)Nc2cccc(/C(C)=N/O)c2)cc1 5725417 XVWDKCVSFFNJKU-WOJGMQOQSA-N 347.396 2.644 30 40 EFEB N#Cc1cccc(N[C@H]2CO[C@@]3(CCN(C(=O)C4(F)CCC4)C3)C2)c1 1565547098 NKLBSXOFKSNJRU-AEFFLSMTSA-N 343.402 2.622 30 40 EFEB CCS(=O)(=O)c1ccc(CC(=O)Nc2sccc2C#N)cc1 10253174 XVYHVRCEVRLGJM-UHFFFAOYSA-N 334.422 2.595 30 40 EFEB N#Cc1cccc(S(=O)(=O)c2cnc3ccc(C#N)cc3c2O)c1 15829361 UTKHAULCJSHYBX-UHFFFAOYSA-N 335.344 2.517 30 40 EFEB CC1=CC(=O)[C@@H](C(=O)/C=C/c2ccccc2OCC2CC2)C(=O)O1 102122567 YICQQGOYPSBGAW-GFOMBABLSA-N 326.348 2.704 30 40 EFEB C/C(=N\NC(=S)NC1CCCC1)[C@@H]1Cc2ccccc2C(=O)O1 54281179 HDNXCNIJNCZIHF-BKQORJHRSA-N 331.441 2.551 30 40 EFEB CN(CCC#N)S(=O)(=O)c1ccc(Br)cc1Cl 34936897 OWJWFCZGPQHGRV-UHFFFAOYSA-N 337.626 2.637 30 40 EFEB Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N1c2ccccc2C[C@@H]1C 44869312 VRKPTFOWYITRGQ-LBPRGKRZSA-N 335.407 2.774 30 40 EFEB CN1CCN(C(=O)COc2ccc(CC#N)cc2)[C@@H](c2ccccc2)C1 46027754 TYXFQVVMKMNKOQ-HXUWFJFHSA-N 349.434 2.647 30 40 EFEB COc1ccccc1NC(=O)C[C@H]1S/C(=N\C2CCCC2)NC1=O 12995483 QIEPBYNNTXNZDA-CQSZACIVSA-N 347.440 2.554 30 40 EFEB CS(=O)(=O)N(CCCOc1ccccc1)c1cccc(C#N)c1 12918311 GOQIFLRUZUAMBX-UHFFFAOYSA-N 330.409 2.793 30 40 EFEB N#Cc1nc(-c2ccc(Cl)cc2)oc1NCCN1CCOCC1 19862955 NZVJMACTRZATJA-UHFFFAOYSA-N 332.791 2.611 30 40 EFEB CC/N=C(/NCc1noc(C)n1)NCC1(Sc2ccccc2)CC1 88469367 RRNPHJODPWMYIO-UHFFFAOYSA-N 345.472 2.758 30 40 EFEB Cc1nc(CCNC(=O)Nc2nn(C(C)C)cc2C#N)sc1C 89559402 WUKBJDVJBXLTFQ-UHFFFAOYSA-N 332.433 2.773 30 40 EFEB NC(=O)COc1ccc(/C=N/c2ccc(Cl)c([N+](=O)[O-])c2)cc1 408962844 KCDCZRDIRAJVAI-QGMBQPNBSA-N 333.731 2.863 30 40 EFEB COc1ccc(C(=O)NCC#Cc2cccc(C(F)(F)F)c2)cn1 24507656 JGWDGEIHPLBLBQ-UHFFFAOYSA-N 334.297 2.891 30 40 EFEB CC1=NN(C(=O)COc2ccc(C#N)cc2)[C@](O)(c2ccc(C)cc2)C1 408564155 VFFMNDVQSWQEAB-HXUWFJFHSA-N 349.390 2.699 30 40 EFEB CCOc1ccc(/C=N/O[C@@H](C)C(=O)Nc2cc(C)on2)cc1OC 15367516 NMCUCLQWHOFXHJ-NNLQFVHNSA-N 347.371 2.768 30 40 EFEB C=C1CC[C@]2(O)[C@@H]3Cc4ccc(O)c5c4[C@]2(CCN3CC2CC2)[C@@H]1O5 3831178 WJBLNOPPDWQMCH-ZXNZYJFHSA-N 339.435 2.513 30 40 EFEB in-vitro COc1cc(C#N)ccc1OCCCN1C(=O)c2ccccc2C1=O 24835224 ZOLZGZDNAWHCOT-UHFFFAOYSA-N 336.347 2.632 30 40 EFEB CC(=O)/C(=C/NC(=S)c1ccncc1)C(=O)Nc1ccccc1C 102940633 JUJCIXUFANKCRJ-PTNGSMBKSA-N 339.420 2.767 30 40 EFEB Cc1ccc(NC(=O)/C(C#N)=N/Nc2ccc(C(=O)O)cc2)c(C)c1 3230978 ILDFGAOTNJOVBV-CJLVFECKSA-N 336.351 2.932 30 40 EFEB COc1ccc(/C=N\N(C)CN(C)/N=C/c2ccc(OC)cc2)cc1 8622432 HNZMJDDXNUIEPC-IWXNDQKYSA-N 340.427 2.893 30 40 EFEB COc1ccc([C@H]2[C@@H](C#N)C(=O)Nc3nc4ccccc4n32)c(OC)c1 20637912 SHZXKWSYNGGRKN-DYVFJYSZSA-N 348.362 2.735 30 40 EFEB CN(Cc1ccc(C#N)cc1)C(=O)[C@@H]1CCCCN1Cc1ccncc1 65575562 BLXBITRIYIWRSL-FQEVSTJZSA-N 348.450 2.966 30 40 EFEB C=CCOc1cccc(NC(=O)N2CCN(C[C@H]3CCCO3)CC2)c1 71857022 LWXSMQORGAXFHJ-GOSISDBHSA-N 345.443 2.580 30 40 EFEB CCC(=O)N1CCC[C@@H](C(=O)[C@H](C#N)c2nc3ccccc3o2)C1 71803553 HIVOSVFBJRDTCM-OLZOCXBDSA-N 325.368 2.653 30 40 EFEB C#Cc1cccc(NC(=O)N2CCN(C[C@@H](O)c3ccccc3)CC2)c1 71911734 FMBGRNWZDJHZIK-HXUWFJFHSA-N 349.434 2.551 30 40 EFEB CC(C)CNC(=O)N1CCC[C@H](C(=O)N[C@@H](C#N)c2ccsc2)C1 95400521 GOKXSVBGFQZSGY-ZFWWWQNUSA-N 348.472 2.507 30 40 EFEB CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1cccc(C#N)c1 21963215 PWYJCZRFOSVWNO-UHFFFAOYSA-N 335.407 2.667 30 40 EFEB N#Cc1nccnc1O[C@H]1CC[C@H](NC(=O)[C@H]2CC=CCC2)CC1 244933257 CJMVXMRBVKXQMQ-KKUMJFAQSA-N 326.400 2.511 30 40 EFEB C#CCNC(=O)[C@@H](CCSC)NC(=O)c1ccc(C(C)(C)C)cc1 40460966 MPNZWZBSYBCCGZ-MRXNPFEDSA-N 346.496 2.585 30 40 EFEB Cc1nn(-c2ncccn2)c2c1[C@H](c1ccc(C#N)cc1)CC(O)=N2 20729911 YSFJPWRSRQKUFG-AWEZNQCLSA-N 330.351 2.966 30 40 EFEB C[C@@H](NC(=O)N1CCCN(c2ccc(C#N)cc2)CC1)c1cccnc1 43787402 CXHGCBGUILNZGF-MRXNPFEDSA-N 349.438 2.936 30 40 EFEB CN(C)C(=O)C[C@H](NC(=O)Nc1cccc(C#N)c1)c1ccccc1 58014969 JKXRZOMPDFDKEY-KRWDZBQOSA-N 336.395 2.899 30 40 EFEB N#Cc1c(Cl)nsc1NCc1cccnc1N1CCOCC1 44975317 UBOOREKBQNQTCE-UHFFFAOYSA-N 335.820 2.512 30 40 EFEB N#Cc1cccnc1NCCNC(=O)[C@@H]1C[C@@H]1c1cccc(Cl)c1 58324920 AHMXYHBMXBWPHG-HZPDHXFCSA-N 340.814 2.938 30 40 EFEB COc1ccc(C)cc1CN1C(=O)N[C@](C)(c2ccc(C#N)cc2)C1=O 12811300 HBIALSPTIUOAPN-HXUWFJFHSA-N 349.390 2.843 30 40 EFEB Cc1cccc(N2CC[C@]3(C[C@@H](Nc4cccc(C#N)n4)CO3)C2)n1 107785926 JOTUSTRPUHYGJF-APWZRJJASA-N 335.411 2.507 30 40 EFEB COc1cc(C#N)ccc1OCC(=O)c1ccc2c(c1)OCCO2 3452499 SBJFCNLPFIOROX-UHFFFAOYSA-N 325.320 2.600 30 40 EFEB C=CCOc1cccc(NC(=O)NCCCCN2CCC[C@@H]2CO)c1 71920236 SKYUYCIITWRVCV-QGZVFWFLSA-N 347.459 2.610 30 40 EFEB Cc1nc(C(=O)Nc2cnc(-c3cccc(O)c3)nc2)ccc1C#N 70040221 XPPPTJSYUWCUMB-UHFFFAOYSA-N 331.335 2.677 30 40 EFEB CCOc1cc(C(=O)N[C@H](C#N)c2cnn(-c3ccccc3)c2)ccn1 96410122 ASHYMWZRRGGORS-QGZVFWFLSA-N 347.378 2.661 30 40 EFEB O=C1c2ccccc2C(=O)N1/N=C\c1cc(Br)ccc1O 71647674 FJJQCLDPXCSCAR-IUXPMGMMSA-N 345.152 2.785 30 40 EFEB Cc1ccc2c(c1)N(C(=O)CSc1ncccc1C#N)CCO2 85474024 REIQPUJOHGCKLN-UHFFFAOYSA-N 325.393 2.779 30 40 EFEB O=S(=O)(/N=C(\O)C[C@H]1C=CCC1)c1cnn(Cc2ccccc2)c1 96452584 ZZAGXPXYKRADLK-AWEZNQCLSA-N 345.424 2.933 30 40 EFEB COC(=O)c1ccccc1NC(=O)CO/N=C(/C)c1cccs1 348291 WHGJDTADUATHOX-WQRHYEAKSA-N 332.381 2.914 30 40 EFEB CCCOc1cc(/C=C/C(=O)[C@@H]2C(=O)C=C(C)OC2=O)ccc1OC 103279953 MRBDOJZUUDFEEJ-SUQGKYDKSA-N 344.363 2.712 30 40 EFEB O=C(NCc1ccc2c(c1)OCO2)C(F)(F)C(F)(F)C(F)(F)F 2736339 NDRDCBWABCNXJL-UHFFFAOYSA-N 347.186 2.864 30 40 EFEB C=CCN1C(=O)c2ccc(C(=O)NC3CCCCCC3)cc2C1=O 5443371 KFHMAWGHSQSVEZ-UHFFFAOYSA-N 326.396 2.921 30 40 EFEB O/C(COc1ccc(Cl)cc1Br)=N\c1ncn[nH]1 5996038 QUTIQIIBISMMHH-UHFFFAOYSA-N 331.557 2.888 30 40 EFEB C[C@@H](NC(=O)OC(C)(C)C)C(=O)N(CCC#N)c1ccc(F)cc1 71893406 JHKGAWIGOYUXQT-GFCCVEGCSA-N 335.379 2.986 30 40 EFEB C[C@H]1C[C@H]1C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCCCN2)cc1 8209421 LICIJADIIFNCQL-SWLSCSKDSA-N 349.456 2.532 30 40 EFEB Cc1ccc(CCC(=O)NC2(C#N)CCC3(CC2)OCCO3)c(C)c1 69433587 WXNLYGKKECOCGG-UHFFFAOYSA-N 342.439 2.932 30 40 EFEB C=CCNC(=O)c1ccc(C)c(S(=O)(=O)Nc2ccccc2)c1 409381902 OSYAZYYXGJYKDM-UHFFFAOYSA-N 330.409 2.712 30 40 EFEB COc1cccc([C@@H]2[C@@H](C#N)C(=O)Nc3nc4ccccc4n32)c1OC 20637880 HQGXUJFOTLFFHT-MLGOLLRUSA-N 348.362 2.735 30 40 EFEB C/C(=C\C(=O)ONC(=O)c1ccccc1)Nc1ccc([N+](=O)[O-])cc1 216591980 SPMPJYNIYWUNBP-VAWYXSNFSA-N 341.323 2.799 30 40 EFEB C#CCCC1(CCC(=O)N2CC[C@H](C(=O)O)[C@@H]3CCCC[C@H]32)N=N1 1616031281 KEDIADMRZFXVJU-SOUVJXGZSA-N 331.416 2.834 30 40 EFEB CCCCCCCCCC/C=C/[C@@H](O)[C@@H](N)COP(=O)(O)O 43491234 LDACFZBJXUAJHJ-AMXOMPAFSA-N 337.397 2.871 30 40 EFEB in-vitro C#CCNC(=O)c1ccc(NCCc2coc(-c3ccccc3)n2)nc1 79089552 JPHOMZVNCRDOTP-UHFFFAOYSA-N 346.390 2.754 30 40 EFEB C=CCSc1nc2c(c(=O)[nH]1)[C@H](c1ccccc1F)CC(=O)N2 4944211 XNGQLNOARMJGTM-JTQLQIEISA-N 331.372 2.661 30 40 EFEB C[C@H](C(=O)NC1(C#N)CCCCC1)N1CCN(c2ccccc2)CC1 57024227 SGARJHZIMPLIOV-QGZVFWFLSA-N 340.471 2.540 30 40 EFEB CCCN(CC#Cc1ccccc1Cl)[C@@H]1CCS(=O)(=O)C1 95432379 BUINXEOMAHTKPV-OAHLLOKOSA-N 325.861 2.591 30 40 EFEB Sc1nnc(-c2n[nH]c3c2CCC3)n1/N=C/c1ccc(Cl)cc1 5626241 HLPICFJGHSOUHH-CAOOACKPSA-N 344.831 2.981 30 40 EFEB C=CCNC(=O)CNC(=O)Nc1ccc(Cl)c(Br)c1 95992529 ZIPFSIKWSIDEIM-UHFFFAOYSA-N 346.612 2.526 30 40 EFEB CS[C@H]1CCC[C@@H]1N(C)CCS(=O)(=O)c1ccc(C#N)cc1 81517235 HIKIYZCYPCFYFS-HOTGVXAUSA-N 338.498 2.548 30 40 EFEB CCOC1(OCC)N=C(N)[C@]2(C#N)[C@@H](c3ccccc3Cl)[C@@]12C#N 230041614 CVHHGBAXYMRGOY-VNQPRFMTSA-N 344.802 2.555 30 40 EFEB CC(C)(COc1ncccc1Br)Nc1ccc(C#N)nn1 96489953 DIXFWRUOOUAUEK-UHFFFAOYSA-N 348.204 2.775 30 40 EFEB COc1ccc(C(C)=NN2CCN(c3ccccn3)CC2)cc1OC 245241584 JWCIRZMHBQAARR-UHFFFAOYSA-N 340.427 2.645 30 40 EFEB COc1ccccc1OCC#CCNC(=O)c1cccc(N(C)C)c1 90610399 RHVQJMYPIJKGQY-UHFFFAOYSA-N 338.407 2.573 30 40 EFEB CN(C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)C1(C#N)CCC1 58380484 FHIAPWKVAUBCEJ-UHFFFAOYSA-N 328.372 2.713 30 40 EFEB O=C(Nc1cccc(F)c1)[C@@H]1CCCN1/C=C/C(=O)C(F)(F)F 4119683 WAXCEXFQFXYQFV-WMADIVHISA-N 330.281 2.874 30 40 EFEB O=C1[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@@H]34)[C@H]2C(=O)N1/N=C/c1c[nH]c2ccccc12 169305926 KHLAISZHHLNBQU-ZCYLZXHKSA-N 331.375 2.555 30 40 EFEB N#Cc1ccc(/C=C2\CCn3c2nc2cc(C(=O)O)ccc2c3=O)cc1 6321803 NPRJNERRVKNNOW-NTEUORMPSA-N 343.342 2.911 30 40 EFEB N#Cc1nccnc1O[C@@H]1CCCN(C(=O)c2ccc(Cl)s2)C1 225484028 AMNBKZFURPGLKT-SNVBAGLBSA-N 348.815 2.747 30 40 EFEB O=[N+]([O-])c1ccc(S(=O)(=O)N/N=C/C=C/c2ccccc2)cc1 1871126 BWMATZJVVOZBAS-JAFAMXRVSA-N 331.353 2.572 30 40 EFEB Cn1cc(/C=N/N2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@H]5C[C@H]45)[C@@H]3C2=O)c2ccccc21 100237630 UPHRIRMXYZVLDE-KEEAMQBDSA-N 345.402 2.565 30 40 EFEB CCOCc1cc(/C=N/n2c(S)nnc2C(F)F)ccc1OC 2791886 KWRYJXPCRIKSPE-REZTVBANSA-N 342.371 2.932 30 40 EFEB N#Cc1ncn(CC(=O)N2c3ccccc3Sc3ccccc32)n1 14143122 YPPPESMRXTVWHS-UHFFFAOYSA-N 333.376 2.979 30 40 EFEB CCN1CCN(c2ccccc2NC(=O)N(CCC#N)C2CC2)CC1 69584641 AVXOFXINERRQDE-UHFFFAOYSA-N 341.459 2.738 30 40 EFEB N#Cc1ccc(CN2CCCN(C(=O)c3ccc(F)cc3F)CC2)o1 95982900 IWRFAYLCIYMJLL-UHFFFAOYSA-N 345.349 2.778 30 40 EFEB C=CCn1c(C)nnc1S(=O)(=O)Cc1cccc2ccccc12 75142070 FHJJMHRCUCUQMW-UHFFFAOYSA-N 327.409 2.900 30 40 EFEB Cc1ccc([C@@H]2[C@@H](S(=O)(=O)c3ccc(C)cc3)[C@@]2(C#N)CO)cc1 225651427 HGWPRNMHYSLDSG-QRVBRYPASA-N 341.432 2.745 30 40 EFEB C=CCN(c1ccc(C(=O)OC)cc1)S(=O)(=O)c1ccc(F)cc1 224911238 URCAKPWJOPMSRJ-UHFFFAOYSA-N 349.383 2.994 30 40 EFEB COCc1cc(C#N)ccc1N1CCC[C@@H](c2nnc3n2CCC3)C1 585092540 DAVJOAHRTHYTFC-OAHLLOKOSA-N 337.427 2.626 30 40 EFEB CC[C@@H](C#N)S(=O)(=O)NC(C)(C)c1ccc(Br)cc1 96484873 ZQNFAFYOIZKJHT-LBPRGKRZSA-N 345.262 2.906 30 40 EFEB CCc1cc2c(=O)n(/N=C/c3ccc(C(=O)O)cc3)cnc2s1 8042951 DRHDWWPERGKYDM-QGMBQPNBSA-N 327.365 2.601 30 40 EFEB COc1ccc(OC)c([C@H]2[C@H]3CCCC[C@@]3(O)CCN2CC#N)c1 13776154 QMJFUVFWXGMIAN-NZSAHSFTSA-N 330.428 2.895 30 40 EFEB COc1cccc(/C=C/C(=O)c2sc(C(N)=S)nc2C)c1O 16957808 FGQSEGPUAAJKPA-VOTSOKGWSA-N 334.422 2.696 30 40 EFEB Cc1cnc(N(C)[C@H]2CCCN(c3nc(C)cc(C)c3C#N)C2)nc1 1888860275 LNTZZBWXLQCQDA-INIZCTEOSA-N 336.443 2.774 30 40 EFEB N#Cc1ccc(OCCOC(=O)c2ccc(-n3cccn3)cc2)cc1 24234955 AGWKYIJMISYCLM-UHFFFAOYSA-N 333.347 2.980 30 40 EFEB C#CCN1CCC(C(=O)/N=c2\ccccn2Cc2ccc(C)cc2)CC1 103747351 JUROLOPEOIZJHS-XTQSDGFTSA-N 347.462 2.617 30 40 EFEB C[N+]1(Cc2cccc(F)c2)CCN(/C=C/C(=O)C(F)(F)F)CC1 3186857 QDTPKFGESGNZLI-AATRIKPKSA-N 331.333 2.733 30 40 EFEB Cc1nn(CCC#N)c(C)c1CCC(=O)NCCc1cccs1 24049537 ZJHVEGJDTDMRIH-UHFFFAOYSA-N 330.457 2.767 30 40 EFEB CCn1c(=O)n(CCC(=O)Nc2sccc2C#N)c2ccccc21 24692507 CJSXQBWPSZIBRC-UHFFFAOYSA-N 340.408 2.785 30 40 EFEB CCC(=O)Nc1ccc(Cl)c(NCC(=O)N(CC)CCC#N)c1 88533491 HGXAUBRBBQCXBN-UHFFFAOYSA-N 336.823 2.863 30 40 EFEB CCCCCCCCC(NC(C)=O)(C(=O)OCC)C(=O)OCC 100297975 ZLHDLFXWXHVNOG-UHFFFAOYSA-N 329.437 2.738 30 40 EFEB COc1ccc(/C=C/C(=O)c2c(C)nn(C)c2C)c(OC)c1OC 64926311 GAXQTFPHPITLHN-VQHVLOKHSA-N 330.384 2.959 30 40 EFEB N#Cc1ccc(NC(=O)CCN2CCC(CN3CCCC3)CC2)cc1 65595701 TUNMZITVVUWFRV-UHFFFAOYSA-N 340.471 2.695 30 40 EFEB CN(C(=O)c1cccc(NC(=O)c2cccnc2)c1)C1(C#N)CCC1 67683062 HQBUYJWPBYCZTR-UHFFFAOYSA-N 334.379 2.852 30 40 EFEB CCOc1ccc(C#N)cc1NC(=O)N[C@@H]1c2ccccc2C[C@@H]1O 69037824 ZOFATLBSDKCHIT-FUHWJXTLSA-N 337.379 2.737 30 40 EFEB Cc1cc(S(=O)(=O)N(CC#N)Cc2ccccc2)ccc1[N+](=O)[O-] 71909107 VSJSTBJBXAAZNI-UHFFFAOYSA-N 345.380 2.618 30 40 EFEB C[C@@H](C#N)Oc1ccc(CN[C@H]2CCCN(c3cccnn3)C2)cc1 69840905 MTCOLNGUZUNJAS-RDJZCZTQSA-N 337.427 2.526 30 40 EFEB C#CCOc1c(Cl)cc([C@H]2N[C@@H](C(=O)O)CS2)cc1OCC 408816493 TZTGFSYHILMSKS-RISCZKNCSA-N 341.816 2.539 30 40 EFEB Cn1cc(C#N)cc1C(=O)Nc1nc(CN2CCCCCC2)cs1 81709948 KJCRQPZVGPXQHG-UHFFFAOYSA-N 343.456 2.982 30 40 EFEB CCOC(=O)C1(COc2ccc(B3OC(C)(C)C(C)(C)O3)cc2)CC1 575442768 YBUUGCKZYFEFJA-UHFFFAOYSA-N 346.232 2.708 30 40 EFEB N#CCCN(C1CC1)S(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1 83537771 RVNCMWVZIRWMNX-UHFFFAOYSA-N 343.330 2.644 30 40 EFEB C[C@@H]1CCN(Cc2nnc(-c3ccc(C#N)cc3)o2)C[C@@H]1n1ccnc1 96489088 XJQOULNWLMJKNW-PBHICJAKSA-N 348.410 2.888 30 40 EFEB CC/N=C(/NCCc1ccccn1)NC[C@@H]1CCO[C@@H]1C(C)(C)C 96447295 HHUKQLYDFFPLHC-RDJZCZTQSA-N 332.492 2.630 30 40 EFEB Cc1nc(-c2ccccc2N=C(O)N(C)CCOCCO)cs1 330031844 DXBIBWPXNOVCBF-UHFFFAOYSA-N 335.429 2.605 30 40 EFEB N#CC1(CCCN2CCN(Cc3cccs3)CC2)CCOCC1 330031878 FIYKHNBFOLDRRC-UHFFFAOYSA-N 333.501 2.966 30 40 EFEB COc1cc(N2CCN(c3cc(C#N)cc(C)n3)CC2)ccc1F 588043872 GIIRSLYGBCIKFK-UHFFFAOYSA-N 326.375 2.736 30 40 EFEB C[C@H](NC(=O)NCCc1cccc(C#N)c1)c1nc(C(C)(C)C)no1 252484725 GFRQTRDJIHPKLK-LBPRGKRZSA-N 341.415 2.842 30 40 EFEB C/C(=N\NS(=O)(=O)c1ccc(C)cc1)c1cnc2ccccc2n1 16310040 SQNYDPIDAHRADT-DEDYPNTBSA-N 340.408 2.641 30 40 EFEB COc1c(C)cnc(CNC(=O)[C@@H](C)Oc2ccccc2C#N)c1C 50448309 TZLZXHREBLWHTP-CQSZACIVSA-N 339.395 2.662 30 40 EFEB N#Cc1ccnc(N2CCN(c3ccc(C(F)(F)F)cn3)CC2)c1 24202196 IBZPVVIHMRPNKB-UHFFFAOYSA-N 333.317 2.694 30 40 EFEB C#CCSc1nc2c(c(=O)[nH]1)[C@@H](c1cccc(Cl)c1)CC(=O)N2 4944238 HWADASPIJRJFOV-LLVKDONJSA-N 345.811 2.623 30 40 EFEB COc1ccc([C@H]2/C(=C(/C)O)C(=O)C(=O)N2Cc2cccnc2)cc1 106461671 FAENDCXYENSDOX-MOKGIYGOSA-N 338.363 2.575 30 40 EFEB COc1ccc(C)cc1CN1CCN(C[C@@H](C#N)CCC#N)CC1 26715916 MIEVOYGLQZPLRB-QGZVFWFLSA-N 326.444 2.565 30 40 EFEB CC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccc(Br)cc1 2490544 LHKBFVBCKFOSTM-GFCCVEGCSA-N 325.231 2.831 30 40 EFEB O=c1[nH]ncc(N/N=C/c2c(F)cccc2Cl)c1Br 13149227 FSQWVGPMSQZMGI-SYZQJQIISA-N 345.559 2.771 30 40 EFEB N#Cc1ccc(NC[C@@H]2CCN(c3ncnc4ccsc34)C2)nc1 65464572 RFWQZJXMXGXEPQ-ZDUSSCGKSA-N 336.424 2.896 30 40 EFEB O=c1c2ccccc2nc(O)n1N=Cc1ccc([N+](=O)[O-])cc1Cl 409358449 UGKIRHBHSGLUMT-UHFFFAOYSA-N 344.714 2.546 30 40 EFEB C[C@@H](c1cccc(O)c1)N(C)CCS(=O)(=O)c1ccc(C#N)cc1 81513329 ZJGVWPGQOQUESI-AWEZNQCLSA-N 344.436 2.731 30 40 EFEB Cc1ccc(S(=O)(=O)[C@@H]2[C@H](c3cccc(F)c3)[C@]2(C#N)CO)cc1 218412165 HESFGOWNIWIOSN-KSZLIROESA-N 345.395 2.576 30 40 EFEB C=CCn1c(C#N)cc(N)c1N1CCN(c2ccc(F)cc2)CC1 225870810 LGTTYYICPRVLBA-UHFFFAOYSA-N 325.391 2.594 30 40 EFEB CCN(CC)/C(N)=N/C[C@H]1CCCN(C)[C@@H]1c1ccc(OC)cc1 97227333 RXQYSLUVPJWVFR-SJLPKXTDSA-N 332.492 2.735 30 40 EFEB Cc1cc(C#N)ccc1S(=O)(=O)N1CCC(OC2CCCC2)CC1 96419761 QDMWAIQGKRAMMX-UHFFFAOYSA-N 348.468 2.979 30 40 EFEB CCOc1ccc(C[C@H]2S/C(=N/N=C\c3ccco3)NC2=O)cc1 13154562 OUGPJWOLZOBHHI-JQFNYASXSA-N 343.408 2.843 30 40 EFEB COc1ccc(/C(N)=N/OCc2cc(-c3ccco3)on2)cc1OC 32765073 FKDXMAUBNKTXKY-UHFFFAOYSA-N 343.339 2.789 30 40 EFEB N#CC1(C#N)[C@]2(C#N)C(=N)O[C@@]13CCCC[C@@H]3C[C@]21CCCCC1=O 102686824 WZHIALLOUWXHNU-ZFKCKOODSA-N 336.395 3.000 30 40 EFEB N#C[C@@H](C(=O)[C@H]1CCCN(C(=O)Cc2ccccc2)C1)c1ccccn1 41480964 BSLULIUOUVFTDX-ZWKOTPCHSA-N 347.418 2.739 30 40 EFEB COc1ccc(C(=O)NCCNc2cccc(F)c2C#N)cc1OC 47341535 NOGNZSBZWUKCMA-UHFFFAOYSA-N 343.358 2.556 30 40 EFEB CN(Cc1nnc(C2CC2)o1)[C@@H]1CCN(Cc2ccccc2C#N)C1 89364922 JGVNOSPSWNOKSJ-QGZVFWFLSA-N 337.427 2.525 30 40 EFEB COc1ccc(/C(N)=N/OC(=O)/C=C/c2ccccc2)cc1OC 12655436 AGPVXMHSIVMLEB-DHZHZOJOSA-N 326.352 2.581 30 40 EFEB Cc1ccccc1S(=O)(=O)/N=C(\O)[C@H](C)NC(=O)OC(C)(C)C 48425707 HEJPSVOISNCWQL-NSHDSACASA-N 342.417 2.553 30 40 EFEB C=C(Br)CNC(=O)Nc1cccc(CN(C)C(C)=O)c1 49300423 GLCVPWFLABIXIU-UHFFFAOYSA-N 340.221 2.695 30 40 EFEB CCOc1ccc(/C=N/N2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C23CC3)cc1 408727358 FBPFVSZLGFSKET-JNUFDREFSA-N 336.391 2.616 30 40 EFEB Cn1ccnc1[C@](O)(CCNc1cccc(F)c1C#N)C(F)(F)F 69416217 MEYZVOSUPZOTOL-CQSZACIVSA-N 342.296 2.683 30 40 EFEB Cn1cc(C(=O)OCC2(C#N)CCOCC2)c(-c2ccccc2)n1 97056745 KLKSASIYZZXZRD-UHFFFAOYSA-N 325.368 2.564 30 40 EFEB O=C1/C(=C\NCc2ccccc2)[C@](O)(C(F)F)Oc2ccccc21 9060009 HBTWUHYKGMSASY-GPZRYRNASA-N 331.318 2.889 30 40 EFEB CC/N=C(/NCCc1nccn1Cc1ccccc1)N1CCCC1 95350508 NOTQAMGRBQPHJW-UHFFFAOYSA-N 325.460 2.535 30 40 EFEB COC(=O)c1ccc(CSc2nc(N)c(C#N)c(C(C)C)n2)o1 225892606 SRZIKNZOSNRTGN-UHFFFAOYSA-N 332.385 2.726 30 40 EFEB C[C@H](Oc1cccc2ccccc12)C(=O)Nc1nc(C#N)c(C#N)[nH]1 193178106 OJPHKSXCKDBJAS-NSHDSACASA-N 331.335 2.712 30 40 EFEB C[C@H](c1ccc(Cl)cc1)[C@@H](C)N(C)S(=O)(=O)N(C)CCC#N 96446710 CUXJAZZSOSHRCH-QWHCGFSZSA-N 343.880 2.854 30 40 EFEB Cc1c(/C(O)=N/S(=O)(=O)c2ccsc2)cnn1CC(C)C 95452232 UPQJKESZUBQSPT-UHFFFAOYSA-N 327.431 2.603 30 40 EFEB C=CCOC[C@H]1CNC(=O)[C@@H]2CCN(Cc3ccsc3)CC[C@H]12 96065555 SRUZYQNVBDJDRO-BRWVUGGUSA-N 334.485 2.525 30 40 EFEB CC(C)CCCNC(=O)N1CCN(Cc2ccc(C#N)cc2)CC1 26391989 IIQNNWBCKTWHSU-UHFFFAOYSA-N 328.460 2.822 30 40 EFEB C#CCCC1(CCC(=O)N[C@@H](C(=O)O)c2ccccc2Cl)N=N1 1616030207 ABPSSBNAGJUBCG-CQSZACIVSA-N 333.775 2.938 30 40 EFEB CC/C(=N\NS(=O)(=O)c1ccc(C)cc1)c1cccc(C#N)c1 5640226 JFOIVGBMVSAUNQ-HTXNQAPBSA-N 327.409 2.959 30 40 EFEB C=CCN(c1ccc(C(=O)NCc2ccccc2)cc1)S(C)(=O)=O 571682 CRCLWNMKNRUZKK-UHFFFAOYSA-N 344.436 2.569 30 40 EFEB COc1ccc([C@H]2c3sc(=O)[nH]c3SC[C@@H]2C=O)cc1OC 587361 GPVRNEQZVHQYAN-JOYOIKCWSA-N 337.422 2.506 30 40 EFEB CCOC1(OCC)N=C(N)[C@@]2(C#N)[C@H](c3ccccc3Cl)[C@@]12C#N 26456154 CVHHGBAXYMRGOY-NUEKZKHPSA-N 344.802 2.555 30 40 EFEB COc1ccc([C@H]2[C@H]3CCCC[C@@]3(O)CCN2CC#N)c(OC)c1 26771641 JNNJEVXFLCNFBA-NZSAHSFTSA-N 330.428 2.895 30 40 EFEB biogenic CC(=O)c1cc(C#N)c(S[C@H](C)C(=O)Nc2cc(C)on2)nc1C 12880886 RJVQUOISZMKDGQ-LLVKDONJSA-N 344.396 2.880 30 40 EFEB Cc1csc([C@@H]2CN(CCOc3ccc(C#N)cc3)CCO2)n1 65463308 BIIVSNSRDJKNAW-INIZCTEOSA-N 329.425 2.776 30 40 EFEB N#CCc1ccc(NC(=O)[C@@H]2CC(=O)N(Cc3ccccc3)C2)cc1 14171308 MUJBCYVRASCNGP-QGZVFWFLSA-N 333.391 2.740 30 40 EFEB CN(c1cccc(C#N)c1)S(=O)(=O)c1c[nH]c2nccc(Cl)c12 95451085 YTRNWJSRSLEAEE-UHFFFAOYSA-N 346.799 2.913 30 40 EFEB C=CCNS(=O)(=O)Cc1ccc(NC(=O)C[C@@H]2C=CCC2)cc1 69516747 WTDBBPMYCIADOP-CQSZACIVSA-N 334.441 2.587 30 40 EFEB C#CCN1CCC(C(=O)Nc2ccnn2-c2cccc(Cl)c2)CC1 69534536 ZVQOMMOGWJOBIQ-UHFFFAOYSA-N 342.830 2.809 30 40 EFEB N#Cc1cccc(S(=O)(=O)Nc2ccc(-n3ccnc3)c(F)c2)c1 69893495 FMHGEPSGUBRLLQ-UHFFFAOYSA-N 342.355 2.684 30 40 EFEB CN(C(=O)C1CC1)c1ccccc1C(=O)NCc1ccc(C#N)cc1 72007797 WGLTXPOJCNZVGQ-UHFFFAOYSA-N 333.391 2.861 30 40 EFEB C/N=C(/NCC1(C)COC1)N[C@@H](C)c1ccc(OCC(C)C)cc1 97021968 GURTWPHBMRCTFC-HNNXBMFYSA-N 333.476 2.984 30 40 EFEB Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N(C)Cc1ccsc1 72276925 HWEVUYMWXLAUKW-UHFFFAOYSA-N 329.425 2.516 30 40 EFEB C#CCNC(=O)CC(=O)N[C@H](c1ccccc1)c1ccc(Cl)cc1 97235699 RLSLAJAVLLHYOG-LJQANCHMSA-N 340.810 2.685 30 40 EFEB CCOC(=O)c1sc([C@H](C)NC(=O)C#Cc2ccccc2)nc1C 89984805 OQQZXHKMGAXMKX-ZDUSSCGKSA-N 342.420 2.857 30 40 EFEB CCCCc1ccc(S(=O)(=O)N/N=C\c2ccc(O)c(O)c2)cc1 32575727 MVPAFNHZMXFFDE-PDGQHHTCSA-N 348.424 2.753 30 40 EFEB Cc1ccc([C@H](CNc2oc(CF)nc2C#N)N2CCOCC2)cc1 35681822 OOEPMYFYAIRKRM-INIZCTEOSA-N 344.390 2.810 30 40 EFEB O=C(c1ccc(NCC#Cc2ccccc2)cc1)N1CCC(CO)CC1 225627917 NDXGWWZEYNYADE-UHFFFAOYSA-N 348.446 2.995 30 40 EFEB CC(C)C(=O)N[C@@H]1CCCN(C(=O)C(C)(C)c2cccc(C#N)c2)C1 96430832 IYRAIWXKUPUBDX-QGZVFWFLSA-N 341.455 2.599 30 40 EFEB CCc1ccc([C@@H]2[C@H](S(=O)(=O)c3ccc(C)cc3)[C@]2(N)C#N)cc1 242701677 WJAUWXCKIULOMZ-QYZOEREBSA-N 340.448 2.718 30 40 EFEB CC/C(Nc1ccccc1N)=C1/C(=O)CC(C)(C)[C@H](C(=O)OC)C1=O 100157749 UEGQRJPREUTJPV-STTHAQSSSA-N 344.411 2.702 30 40 EFEB CCc1nc(CNS(=O)(=O)c2cccc(Cl)c2C#N)cs1 96483431 GEDZDQHIWXJWRA-UHFFFAOYSA-N 341.845 2.709 30 40 EFEB C=CCn1c(=N)n(C[C@H](O)COc2ccccc2C)c2ccccc21 20059828 XHOHIUNCEXSFGW-INIZCTEOSA-N 337.423 2.857 30 40 EFEB Cc1cc([C@H]2CCCN2C(=O)[C@@H](C)Oc2ccccc2C#N)on1 53401942 FDCGPYRZOBLKNU-UKRRQHHQSA-N 325.368 2.986 30 40 EFEB COc1ccccc1/C=N\N=C1\NC(=O)[C@@H](Cc2ccccc2)S1 4866429 KDMKCGBLJQDSSF-BKAYVGFPSA-N 339.420 2.859 30 40 EFEB C[C@H]1CN([C@@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)CCO1 25837464 GHNWWUNIOSHBCO-STQMWFEESA-N 347.484 2.936 30 40 EFEB N#Cc1ccc(CSC/C(O)=N/S(=O)(=O)c2cccnc2)cc1 48532786 PADONGBWTMLFOE-UHFFFAOYSA-N 347.421 2.532 30 40 EFEB CC(=O)C1=C(C)Nc2ncnn2[C@@H]1c1ccc(Br)cc1 13122367 KXEGXFPJYMLUGL-CYBMUJFWSA-N 333.189 2.919 30 40 EFEB Cc1ccccc1OCCN(C)S(=O)(=O)c1ccccc1C#N 14189209 XFARZIBOGGQWCI-UHFFFAOYSA-N 330.409 2.566 30 40 EFEB Cc1nc2ccccc2n1CCNC(=O)[C@@H](C)Oc1ccc(C#N)cc1 8135506 CQMBSGNMLSPUGV-CQSZACIVSA-N 348.406 2.800 30 40 EFEB CN(CCC#N)S(=O)(=O)N1CCCC[C@@H]1c1cc2ccccc2[nH]1 69780216 NZSHVXAHTOHIPN-QGZVFWFLSA-N 346.456 2.785 30 40 EFEB COc1ccc([C@H](C#N)NC(=O)c2cccn2C2CC2)c(OC)c1 97048316 JXOIRNBTGDNHMI-HNNXBMFYSA-N 325.368 2.835 30 40 EFEB N#Cc1cccc(C(=O)N2CCN(Cc3ccc(Cl)cn3)CC2)c1 97107302 JQPWNDXMIXTZPZ-UHFFFAOYSA-N 340.814 2.565 30 40 EFEB N/C(=N\N=C/c1ccc(-c2ccc(Cl)cc2Cl)o1)N[N+](=O)[O-] 210950262 WTVNGDRQOANEJS-SOFYXZRVSA-N 342.142 2.683 30 40 EFEB C[C@]1(C(=O)Nc2ccc(C#N)cc2)Oc2ccc(Cl)cc2NC1=O 41549821 LTOCHYUZLCOTBW-QGZVFWFLSA-N 341.754 2.940 30 40 EFEB Cn1c([C@@H](C#N)C(=O)c2cccc(-c3nc[nH]n3)c2)nc2ccccc21 330032102 ILSFOVPTLJVYQG-AWEZNQCLSA-N 342.362 2.848 30 40 EFEB Cn1cc(-c2cnc(Nc3ccccc3)nc2)cc1C(=O)NCCC#N 96037614 WFEZDDVSILYVDA-UHFFFAOYSA-N 346.394 2.869 30 40 EFEB CN(C1(C#N)CCC1)S(=O)(=O)c1ccccc1Br 96502824 USOKTUYOPQKKPS-UHFFFAOYSA-N 329.219 2.516 30 40 EFEB C[C@@H](OC(=O)[C@H]1CC(=O)N(CC(F)(F)F)C1)c1ccc(C#N)cc1 75093816 JVKXWLRNXLRVLM-MFKMUULPSA-N 340.301 2.573 30 40 EFEB N#C[C@H](C(=O)CN1C(=O)CCc2ccccc21)c1nc2ccccc2o1 75610552 PFCFOMQOGQRFKT-CQSZACIVSA-N 345.358 2.983 30 40 EFEB CCCn1nnnc1/N=C(\O)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 569545 GBEUQDINCODAHW-UHFFFAOYSA-N 342.315 2.888 30 40 EFEB C[C@]1(c2cc(F)ccc2F)NC(=O)N(Cc2ccc(C#N)cc2)C1=O 5791458 VAMVHONUYMMVCN-GOSISDBHSA-N 341.317 2.804 30 40 EFEB Cc1ccc(CN2CCN(/N=C\c3ccc(O)cc3O)CC2)c(C)c1 15745821 QUIHIMFSIVRMLM-BKUYFWCQSA-N 339.439 2.866 30 40 EFEB CC/C(=N/NS(=O)(=O)c1ccc(C)cc1)c1cccc(C#N)c1 17109883 JFOIVGBMVSAUNQ-ZPHPHTNESA-N 327.409 2.959 30 40 EFEB Oc1ccc(/C=N/N2CCN(Cc3ccccc3Cl)CC2)cc1O 19882191 RMYFYIJDLOJRBB-UDWIEESQSA-N 345.830 2.903 30 40 EFEB N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)N2CCCC2)CC1 40511880 IDNXYCGOWDWLMQ-UHFFFAOYSA-N 340.383 2.645 30 40 EFEB Cc1nnc(N2CCCN(c3ccccc3C#N)CC2)c(C#N)c1C 52189476 FRSPCKFVIFQZLF-UHFFFAOYSA-N 332.411 2.554 30 40 EFEB COc1ccc(C(=O)c2cn(OC)c3cc(C#N)c(C#N)cc23)cc1 78547690 FPRPANCCXJNJON-UHFFFAOYSA-N 331.331 2.683 30 40 EFEB O=[N+]([O-])c1ccc(/C=N/N(CCO)C(=S)Nc2ccccc2)cc1 3260376 LMWWOJNJJJCHQH-SFQUDFHCSA-N 344.396 2.620 30 40 EFEB N#Cc1cccc(COC(=O)C2CCN(C(=O)c3ccco3)CC2)c1 28030311 QXJYITGKMLLPKI-UHFFFAOYSA-N 338.363 2.747 30 40 EFEB CS(=O)(=O)/N=C(\O)CN(Cc1ccccc1)Cc1ccccc1 95452208 FWPNFVLTLMXSID-UHFFFAOYSA-N 332.425 2.605 30 40 EFEB OC1=Nc2ccc(F)cc2/C1=N\NC(=S)NCc1ccccc1 7013446 LFSPABBLGVVVRU-UHFFFAOYSA-N 328.372 2.796 30 40 EFEB COc1cc(N2CCOCC2)ccc1/C=N/c1ccc(C(=O)O)cc1 409232011 MPDAIFCBDNWIIO-DEDYPNTBSA-N 340.379 2.981 30 40 EFEB O=[N+]([O-])c1cc(/C=N/c2ccc(N3CCOCC3)cc2)ccc1O 408931147 HRJNEVIUZGNXEK-LDADJPATSA-N 327.340 2.888 30 40 EFEB N#Cc1nccnc1Nc1cccc(C[S@@](=O)C2CCOCC2)c1 96406560 YRWPRVLQFULOHH-DEOSSOPVSA-N 342.424 2.520 30 40 EFEB COC(=O)[C@@H]1CN(Cc2ccc(C#N)cc2)C[C@H]1c1ccc(O)cc1 296079739 QLUFALPSEIMYPN-RBUKOAKNSA-N 336.391 2.652 30 40 EFEB N#CC1(C#N)[C@H](c2ccncc2)O[C@@]23CCCCC[C@H]2[C@]1(C#N)C(=N)O3 5067653 LTEPMQYWZQIEHW-ILRDRHFLSA-N 347.378 2.981 30 40 EFEB O=[N+]([O-])c1ccc(N/N=C/c2nc3ccccc3[nH]2)c([N+](=O)[O-])c1 6424108 CIWGVRRHHOTENS-OVCLIPMQSA-N 326.272 2.825 30 40 EFEB C[C@](C#N)(NC(=O)CNc1ccc(C#N)c(C(F)(F)F)c1)C1CC1 78903889 URIGTQZSJVRYMM-OAHLLOKOSA-N 336.317 2.797 30 40 EFEB C/N=C(/NCc1cc(C)on1)NCc1ccccc1OC(F)(F)F 79344518 VMUKVJIRQUCRPB-UHFFFAOYSA-N 342.321 2.747 30 40 EFEB CCCc1nn(-c2nc3ccccc3s2)c(O)c1/C=N/CCCO 104294358 ICMPPMOYLOEWAZ-WOJGMQOQSA-N 344.440 2.941 30 40 EFEB Cc1ccc(NCC(=O)N[C@@](C)(C#N)C(C)C)cc1C(=O)NC(C)C 66471757 AGEGOYPXACYKAE-IBGZPJMESA-N 344.459 2.600 30 40 EFEB Cc1ccc(C)c(S(=O)(=O)/N=C(\O)[C@H](C)OC[C@@H]2CCCO2)c1 69282660 KKKNGEAYFAXKGE-KBPBESRZSA-N 341.429 2.533 30 40 EFEB N#Cc1ccc(N2CCN(C(=O)c3ccc4[nH]cnc4c3)CC2)c(F)c1 69352081 NQVVQHILCNRRGK-UHFFFAOYSA-N 349.369 2.536 30 40 EFEB C[C@@H]1CC[C@@H](CCC(=O)NC2CCN(c3ccc(C#N)cc3)CC2)O1 95962352 RTRGVDVJRSEEBO-BEFAXECRSA-N 341.455 2.991 30 40 EFEB C=CCN(Cc1cccs1)C(=O)CN1CCC[C@H](c2ccn[nH]2)C1 72270622 POKCDCCVJOWLAM-HNNXBMFYSA-N 344.484 2.865 30 40 EFEB C=CCCC(=O)N1CC[C@@H](c2ccccc2Cl)S(=O)(=O)CC1 575607779 PKCDAFDRNRBMLL-HNNXBMFYSA-N 341.860 2.994 30 40 EFEB CCS(=O)(=O)c1ccccc1C(=O)Nc1cccc(OCC#N)c1 59119605 LQOFJUUNEKBDGZ-UHFFFAOYSA-N 344.392 2.635 30 40 EFEB C=CCc1cc(CNC(=O)c2cc(C(C)=O)c[nH]2)cc(OC)c1OC 50860229 XMBJRFLUJPAKFR-UHFFFAOYSA-N 342.395 2.893 30 40 EFEB Cc1ccc(C(=O)OCC(=O)N(CCC#N)c2ccccc2)c(O)c1 3295485 NMNLJGTWSJZOHH-UHFFFAOYSA-N 338.363 2.804 30 40 EFEB C#C[C@@H]1C[C@@H]2CC(=O)[C@@H]3[C@@H]4CCC(=O)[C@@]4(C)CC[C@@H]3[C@@]2(C)C[C@@H]1O 3849641 RMHPKQZBZCPFIM-WSQIWAMQSA-N 328.452 2.997 30 40 EFEB CN(C)C1(CNC(=O)COc2ccc(CC#N)cc2)CCCCCC1 58175461 VNAJEAXVLFTULC-UHFFFAOYSA-N 343.471 2.902 30 40 EFEB Cc1nnc(CN(CCc2ccco2)Cc2cccc(C#N)c2)n1C 48308543 YZRLTGSRUJQCHV-UHFFFAOYSA-N 335.411 2.833 30 40 EFEB C[C@@]12CCC(=O)N1[C@@H](C(=O)Nc1sc3c(c1C#N)CCC3)CS2 65594650 AMXLFHFFXJYUCJ-BDJLRTHQSA-N 347.465 2.501 30 40 EFEB C=CCOc1ccc(C(F)(F)F)cc1C(=O)NCCn1ccnc1 96416391 KJVJMXBWHCTKRI-UHFFFAOYSA-N 339.317 2.897 30 40 EFEB C[C@@H](Oc1ccc(C#N)cc1Cl)C(=O)NC(=O)NC1CCCC1 8256856 LVFLEFMHVBVKAT-SNVBAGLBSA-N 335.791 2.747 30 40 EFEB C=CCO[C@@H](C)C(=O)NC[C@@H](c1cccc(OC)c1)N1CCCC1 69347573 GLTYMSVEDQTXPL-YJBOKZPZSA-N 332.444 2.539 30 40 EFEB N#CC1(C(=O)N2CCCN(Cc3cscn3)CC2)CCCCC1 69818587 DMOGNGCCFINNBT-UHFFFAOYSA-N 332.473 2.651 30 40 EFEB Cc1nnc([C@H](C)O/N=C(/N)Cc2cccc(Br)c2)o1 97009591 LZSRKZAMSBNKBJ-QMMMGPOBSA-N 339.193 2.733 30 40 EFEB COC[C@@]1(C#N)[C@H](c2ccccc2)[C@@H]1S(=O)(=O)c1ccccc1 218033811 CVMKHFUHVDGILD-SQNIBIBYSA-N 327.405 2.783 30 40 EFEB Cc1ccc(S(=O)(=O)[C@@H]2[C@H](c3ccccc3)[C@@]2(C#N)C=O)cc1 242437332 BZJSWOFGLCEHBZ-RCCFBDPRSA-N 325.389 2.644 30 40 EFEB N#CCc1ccc(NS(=O)(=O)c2ccc3c(c2)OCCCO3)cc1 29972257 KVRQDZCRZXJVAK-UHFFFAOYSA-N 344.392 2.715 30 40 EFEB CN(C)c1ccc([C@H]2CCCN2Cc2ccc(F)c(C#N)c2)nn1 591624798 NAFDJSLRFKKXOI-QGZVFWFLSA-N 325.391 2.890 30 40 EFEB CCOc1ccc(-c2nnc(S)n2/N=C/c2cccnc2)cc1 5906663 BHNVIQSXGPXUPI-WOJGMQOQSA-N 325.397 2.910 30 40 EFEB Cc1ccc(S(=O)(=O)N2C(=O)CS/C2=N/c2ccccc2)cc1 100655871 SBWHOZWSGGSZKT-WUKNDPDISA-N 346.433 2.947 30 40 EFEB N#Cc1c(F)cccc1N1CCN(Cc2nnsc2Cl)CC1 40513755 DCEUDSXVVGFRDI-UHFFFAOYSA-N 337.811 2.524 30 40 EFEB CC(C)NC(=O)[C@H](C#N)C(=O)[C@@H]1C[C@@H]1c1cccc(Br)c1 103726924 WKIMYRIQRDNBJD-MGPQQGTHSA-N 349.228 2.786 30 40 EFEB CC(C)[C@@H](NC(=O)C12CC3CC(CC(C3)C1)C2)/C(O)=N/c1ncn[nH]1 23142301 NKWUYLQQBBIJCC-UDMGLPGGSA-N 345.447 2.750 30 40 EFEB C/C(O)=C1\C(=O)[C@@H]2[C@@H]3c4c[nH]c5cccc(c45)C[C@@H]3C(C)(C)N2C1=O 3977769 CNZIQHGDUXRUJS-XCXBDOTBSA-N 336.391 2.828 30 40 EFEB in-vitro C[C@]12C=CC(=O)C=C1CC[C@@H]1[C@@H]3CCC(=O)O[C@]3(C)C[C@@H](O)[C@]12F 104062287 XUYWZQUKJIPOPA-JFUJAIADSA-N 334.387 2.653 30 40 EFEB CC(C)(C)n1cc(C#N)cc1NC(=O)NCCC(=O)N1CCCCC1 65604880 WUOUHDKMCLUGJQ-UHFFFAOYSA-N 345.447 2.639 30 40 EFEB COc1ccc([C@H](C#N)NC(=O)C[C@H](C)n2cccc2)c(OC)c1 95398014 RRNNWJNGZBXPJQ-BBRMVZONSA-N 327.384 2.837 30 40 EFEB CN(C)/C(N)=N/C[C@H](c1ccccc1)N1CCc2sccc2C1 170903997 OWFGGXDWHLCUMG-MRXNPFEDSA-N 328.485 2.724 30 40 EFEB Cc1ccc(S(=O)(=O)O[C@@H]2CCN(Cc3ccccc3)C2)cc1 95628125 DFFINYKUAYHRBO-QGZVFWFLSA-N 331.437 2.975 30 40 EFEB N#Cc1ccc(NCC(=O)N2CCC3(CC2)C(F)(F)C3(F)F)cc1 585090528 GDSWYKUNNDDVQF-UHFFFAOYSA-N 341.308 2.863 30 40 EFEB C=CCN1C(=O)/C(=C\c2ccccc2OCC(=O)O)SC1=S 17163359 DTMDNGZSIMSHAK-XYOKQWHBSA-N 335.406 2.537 30 40 EFEB C#CCn1/c(=N/C(=O)C2CC2)sc2cc(Br)ccc21 100875313 VNHUIDMJTRUWEW-PEZBUJJGSA-N 335.226 2.936 30 40 EFEB CC(C)n1ncc2cc(NS(=O)(=O)c3ccc(C#N)cc3)cnc21 32098011 YFEBFYXWJXSNHJ-UHFFFAOYSA-N 341.396 2.685 30 40 EFEB C=CC[C@@]12C=C(OC)C(=O)[C@@H](C1=O)[C@H](c1ccc(O)c(OC)c1)[C@H]2C 32287798 WDPDGHCWVZXPFP-NBSNSOTFSA-N 342.391 2.995 30 40 EFEB biogenic,in-vitro CCOC(=O)[C@@H](C)N1C(=O)S/C(=C\c2ccc(C#N)cc2)C1=O 981071 ALJFHALVNUNMHY-GARZTLJTSA-N 330.365 2.546 30 40 EFEB N#CCCN(CCC#N)C(=O)CN(C1CC1)[C@H]1CCc2ccccc21 58185030 AAVGGHNLJNIWBW-IBGZPJMESA-N 336.439 2.794 30 40 EFEB Cc1cc(C)n(-c2ccc(/C(N)=N/OCc3ccccc3C#N)cn2)n1 58377855 CLVYYIGJXFJERN-UHFFFAOYSA-N 346.394 2.593 30 40 EFEB CCN(CC)CCn1cc(NC(=O)/C=C/c2ccccc2C#N)cn1 58324592 IEZRRJXWEXEMJU-MDZDMXLPSA-N 337.427 2.748 30 40 EFEB C[C@@](C#N)(NC(=O)COc1nc(-c2ccccc2Cl)no1)C1CC1 58369292 FEQNKKIQNGELJH-INIZCTEOSA-N 346.774 2.577 30 40 EFEB COc1cc(C(=O)COc2ccc(C#N)cc2)cc(OC)c1OC 6510495 NSBBAWMAPKKBNL-UHFFFAOYSA-N 327.336 2.846 30 40 EFEB Cc1nc2sc(C(=O)OCc3ccccc3C#N)c(C)c2c(=O)[nH]1 7248860 DPGVNBHJPUVJJQ-UHFFFAOYSA-N 339.376 2.830 30 40 EFEB C=C(C)CN1CCC(NC(=O)N2CCOC[C@H]2c2ccc(C)o2)CC1 89652743 YIZDGZWZMXHKMU-KRWDZBQOSA-N 347.459 2.711 30 40 EFEB N#Cc1c(Cl)nc(NCCO)c2c1CCN(Cc1ccccc1)C2 20100313 OGQMDEIIKJIRSA-UHFFFAOYSA-N 342.830 2.569 30 40 EFEB N#Cc1c(F)cccc1N1CCN(C[C@@H](O)c2ccccc2)CC1 36396198 OLGCZWLMXAOHBY-LJQANCHMSA-N 325.387 2.553 30 40 EFEB Cc1ccc(Cc2c(N)cc(C#N)n2CC(=O)N2CCCCC2)cc1 225858085 HDFDMEXHRUHMAD-UHFFFAOYSA-N 336.439 2.854 30 40 EFEB Cc1ccc2c(c1)OCCN2S(=O)(=O)c1cccc(F)c1C#N 96423544 VFCUHFJSSHYOTO-UHFFFAOYSA-N 332.356 2.594 30 40 EFEB COc1cc(CNC(=O)N2CCC[C@@](C)(C#N)C2)cc(OC)c1OC 612095368 RLTHHYSWKQPKBR-SFHVURJKSA-N 347.415 2.548 30 40 EFEB C=C(C)Cn1c(-c2cnccn2)nnc1N1CCC(C)(COC)CC1 1615587715 QMRKEPSYABBZAV-UHFFFAOYSA-N 342.447 2.564 30 40 EFEB CCOc1ccccc1C(=O)N1CC[C@@H](Oc2cc(C#N)ccn2)C1 238826557 DWXGNAWSGNUVEE-OAHLLOKOSA-N 337.379 2.645 30 40 EFEB Cc1cnc([C@H](NS(=O)(=O)Cc2cccc(C#N)c2)C2CC2)s1 96428446 CWQAANDGOWMPOV-OAHLLOKOSA-N 347.465 2.894 30 40 EFEB CCCOc1ccccc1NC(=O)Cn1c(C)cc(C)c(C#N)c1=O 32865661 OCNGCAPBUNIXHS-UHFFFAOYSA-N 339.395 2.764 30 40 EFEB C#CCNC(=O)[C@@H](C)Sc1cc(C)c(C#N)c2nc3ccccc3n12 32904867 UAFCYJWWOJFQOR-CYBMUJFWSA-N 348.431 2.898 30 40 EFEB C#CCSc1nc2c(c(=O)[nH]1)[C@H](c1ccc(Cl)cc1)CC(=O)N2 4944247 UYIHYEPZYNUXIU-NSHDSACASA-N 345.811 2.623 30 40 EFEB CC(C)(C)c1nc(C(C)(C)NC(=O)COc2ccc(C#N)cc2)no1 58343557 CFPDVIPSGJANQX-UHFFFAOYSA-N 342.399 2.669 30 40 EFEB N#Cc1cccnc1NCCNC(=O)N1CC2C[C@H]3CC1C[C@@H](C2)C3 62501657 DTNKWSGYZGJVHR-KWOWKCNFSA-N 339.443 2.585 30 40 EFEB Cc1ccc(S(C)(=O)=O)cc1C(=O)OCc1ccc(C#N)cc1F 12955824 OGNBBLGRSKFNER-UHFFFAOYSA-N 347.367 2.766 30 40 EFEB N#Cc1cccc(CNC(=O)N2CCO[C@@H](c3cccc(F)c3)C2)c1 67062557 ZDIROUNOBQTXEA-GOSISDBHSA-N 339.370 2.980 30 40 EFEB CCOc1nnc(CN2CCCN(c3ccccc3C#N)CC2)s1 71828145 KHNBYWDJRWHPHB-UHFFFAOYSA-N 343.456 2.521 30 40 EFEB C=CCOc1ccc(NC(=O)C(=O)NCCCc2ccccc2)cc1 408709816 XHWSMEIJJDBYDI-UHFFFAOYSA-N 338.407 2.939 30 40 EFEB Cc1cc(C)cc(N2C(=O)NC(=O)/C(=C\c3ccc(C#N)cc3)C2=O)c1 408766721 FMEVEBLIGBJYLR-LICLKQGHSA-N 345.358 2.842 30 40 EFEB C=CCNC(=O)N1CCN(c2nc3c(F)cc(F)cc3s2)CC1 36709387 VZOLHBAFERPNAW-UHFFFAOYSA-N 338.383 2.592 30 40 EFEB Cc1cc(N2CC[C@H](Oc3cccnc3N3CCCC3)C2)c(C#N)cn1 575603568 FZGXXBZUPMARRB-KRWDZBQOSA-N 349.438 2.915 30 40 EFEB C=CCOC[C@H]1CCC[C@]12CN(C(=O)c1ccc(C#N)cc1)CCO2 96159911 BPHGLNYYFAJQEH-QUCCMNQESA-N 340.423 2.772 30 40 EFEB N#Cc1ccc(SCC(=O)NC2CCOCC2)cc1C(F)(F)F 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C=C1CC[C@@]2(O)[C@@H]3Cc4ccc(O)c5c4[C@]2(CCN3CC2CC2)[C@@H]1O5 3831179 WJBLNOPPDWQMCH-LLUDDFSJSA-N 339.435 2.513 30 40 EFEB in-vitro N#Cc1c(N2C(=O)[C@@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)sc2c1CCCCC2 102243311 VRJFXZRIQGZEKB-GBOPCIDUSA-N 342.420 2.555 30 40 EFEB CCc1cc2c(=O)n(CCOc3cccc(C#N)c3)cnc2s1 47368776 HALUNUNYIFPOQF-UHFFFAOYSA-N 325.393 2.971 30 40 EFEB N#Cc1ccc(Cl)cc1NC(=O)Cn1cnc2ccsc2c1=O 12775142 PVCCMLDMNAGUIH-UHFFFAOYSA-N 344.783 2.622 30 40 EFEB CC(=O)NC[C@@H]1CCCN(CC#Cc2ccc(C(F)(F)F)cc2)C1 89954681 WOEFGTBAZGPFNG-INIZCTEOSA-N 338.373 2.905 30 40 EFEB Cc1ccccc1S(=O)(=O)/N=C(\O)[C@@H](C)NC(=O)OC(C)(C)C 48425703 HEJPSVOISNCWQL-LLVKDONJSA-N 342.417 2.553 30 40 EFEB C=CCN1c2ccccc2N(C(C)=O)[C@@H]2C(C(=O)OCC)=C(C)O[C@@H]21 4624352 NHLLPDYCNTXYSA-MSOLQXFVSA-N 342.395 2.608 30 40 EFEB CC(C)[C@@](C)(C#N)NC(=O)COc1ccccc1Br 5999907 JHEWNXDPWUWPQU-CQSZACIVSA-N 325.206 2.882 30 40 EFEB CC(C)[C@H](Oc1ccccc1C#N)C(=O)N1CCC(N(C)C)CC1 71821503 XHFGMUIRVYXLPN-SFHVURJKSA-N 329.444 2.514 30 40 EFEB C[C@@H](c1ccccn1)N1CCN(c2ccc([N+](=O)[O-])c(C#N)c2)CC1 97145514 QRVYKCBNWXJVDD-AWEZNQCLSA-N 337.383 2.745 30 40 EFEB C#CCN(CC)CC(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1 72308247 HNCOMJMPRHQIDD-UHFFFAOYSA-N 335.379 2.982 30 40 EFEB N#Cc1nccnc1Nc1ccc2nc(N3CCOCC3)sc2c1 95397027 ZVKRGCIZNICORS-UHFFFAOYSA-N 338.396 2.538 30 40 EFEB N#Cc1cccc(CNCCC(=O)N2CCc3sccc3C2)c1 52120772 ITISLYJXHYGAIY-UHFFFAOYSA-N 325.437 2.684 30 40 EFEB CNC(=O)[C@H](C#N)C(=O)c1cc2cc(Br)cc(C)c2o1 102317515 JROYKQVQUXUIEK-SNVBAGLBSA-N 335.157 2.572 30 40 EFEB C=CCOc1ccccc1/C=N/Nc1nc2ccccc2c(=O)n1C 21934992 UDQPCXJLDBLNID-DEDYPNTBSA-N 334.379 2.944 30 40 EFEB N#Cc1ccccc1NC(=S)NC(=O)c1ccc2nsnc2c1 57313311 JXJQZOWOXUXILL-UHFFFAOYSA-N 339.405 2.690 30 40 EFEB N#Cc1ccc(CN2CCN(Cc3ccnc(Cl)c3)CC2)cc1 57996719 IEVBDPUJWRZISW-UHFFFAOYSA-N 326.831 2.924 30 40 EFEB C[C@H](O)CN(CC(=O)N(C)C1(C#N)CCCCC1)c1ccccc1 58315266 NXNUPSJEWWYOGU-INIZCTEOSA-N 329.444 2.559 30 40 EFEB CCNC(=S)N/N=C/c1ccc(-c2cc([N+](=O)[O-])ccc2OC)o1 107875612 DFHMTUVGKUYDCR-RQZCQDPDSA-N 348.384 2.681 30 40 EFEB C[C@@H]1CCc2c(sc(NC(=O)c3n[nH]cc3[N+](=O)[O-])c2C#N)C1 6411898 OFNGSLSVXIDDBJ-SSDOTTSWSA-N 331.357 2.628 30 40 EFEB C=C(Br)CNC(=O)N1CCO[C@@H](c2cccc(F)c2)C1 67066063 QUZJGXJLVVIYLN-CYBMUJFWSA-N 343.196 2.817 30 40 EFEB N#Cc1ccc(NC(=O)c2sccc2NC(=O)c2cnccn2)cc1 67335969 BDXJMZNLJJHHEI-UHFFFAOYSA-N 349.375 2.914 30 40 EFEB CC(C)Cn1ncc(C(=O)N[C@]2(C#N)CCSC2)c1C(F)F 90122455 WTFNWDBVUSTJRM-AWEZNQCLSA-N 328.388 2.606 30 40 EFEB N#Cc1ccc(CN(CCO)Cc2cnn(Cc3ccccc3)c2)cc1 69589123 CMEJYUIXPYOYNH-UHFFFAOYSA-N 346.434 2.798 30 40 EFEB CC(C)(C)c1noc(CCCC(=O)N(CC#N)CC(F)(F)F)n1 75105608 RYGQKYPIOOYJGZ-UHFFFAOYSA-N 332.326 2.604 30 40 EFEB C=C(C)Cn1c(Cc2ccncc2)nnc1N1CCO[C@H](C(C)C)C1 1615586691 DLKNVSWZROMPQZ-KRWDZBQOSA-N 341.459 2.701 30 40 EFEB N#Cc1nc(/C=C/c2ccccc2)oc1NCCCN1CCOCC1 20440137 STEUWQGUWLIVGJ-BQYQJAHWSA-N 338.411 2.851 30 40 EFEB Cc1ccc(OCc2ccc(C(=O)/N=C3/N=C(O)CN3)o2)c(C)c1 54100839 JLEKSXIIBWRIBP-UHFFFAOYSA-N 327.340 2.531 30 40 EFEB CCN(Cc1ccccc1[N+](=O)[O-])S(=O)(=O)c1ccccc1C#N 47608236 NGFWNMBNBIGWIG-UHFFFAOYSA-N 345.380 2.677 30 40 EFEB Cn1cc(C(=O)/C=C/c2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)cn1 58201251 OPHKENZDOYTCRK-VMPITWQZSA-N 337.339 2.625 30 40 EFEB Cc1nc(C2(NC(=O)COc3cccc(C#N)c3)CCCCC2)no1 44953881 HWXRNXCKGGBEGC-UHFFFAOYSA-N 340.383 2.604 30 40 EFEB C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@]21OCC1=O 118917803 KVTUNQQLGNXYMG-CZFMHFDVSA-N 344.451 2.827 30 40 EFEB Cc1nc(C)c(C(=O)N2CCCN(c3ccc(C#N)cc3)CC2)s1 46846450 LCCQBAQBFJIJLH-UHFFFAOYSA-N 340.452 2.984 30 40 EFEB CSC[C@@H]1CCCN1S(=O)(=O)c1ccc(C#N)cc1Cl 96002009 HVPNILGZIMNUAR-NSHDSACASA-N 330.862 2.728 30 40 EFEB CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccc(C#N)cc2)NC(=O)N1 6049529 IKKRCZLIRQINPT-QGZVFWFLSA-N 332.363 2.825 30 40 EFEB CCOC(=O)C/C(=N\Nc1snc(SC)c1C#N)C(F)F 6401554 OIOAAMNZVAQGMM-VIZOYTHASA-N 334.373 2.723 30 40 EFEB CS(=O)(=O)c1cccc(C(=O)Nc2ccc(C#N)c(Cl)c2)c1 6784363 HHHPMSSZWHKPPS-UHFFFAOYSA-N 334.784 2.867 30 40 EFEB COc1cc(/C=C/C(=O)c2ccc3c(c2)NC(=O)CO3)ccc1O 7333653 XJLLZOVARUINAP-GORDUTHDSA-N 325.320 2.628 30 40 EFEB Cn1cc(C(=O)NCc2ccc(-c3ccccc3C#N)cc2)ccc1=O 91101331 IIJYOISITBMYJB-UHFFFAOYSA-N 343.386 2.854 30 40 EFEB COc1ccccc1[C@H](C)CNS(=O)(=O)Cc1cccc(C#N)c1 70009181 GEMIKLIZVYIXTA-CQSZACIVSA-N 344.436 2.790 30 40 EFEB C#CCN1CCC(C(=O)NC[C@@H]2CCCc3cc(OC)ccc32)CC1 97380073 FTXLTMXPUYMDLP-SFHVURJKSA-N 340.467 2.577 30 40 EFEB CC(C)(C)C(=O)NCCNc1cc(C#N)c2cc([N+](=O)[O-])ccc2n1 76063824 MIWKXEXUSNMMQZ-UHFFFAOYSA-N 341.371 2.589 30 40 EFEB C[C@H](NC1(CNC(=O)C(C)(C)C#N)CCOCC1)c1ccccc1 79096396 UCFJKBNGHQFKBS-HNNXBMFYSA-N 329.444 2.552 30 40 EFEB C[C@H](N/C(N)=N/CCc1ccnn1C)c1ccc(Cl)cc1Cl 225602214 WGXNJGZGYHTROF-JTQLQIEISA-N 340.258 2.935 30 40 EFEB N#CCc1ccc(NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc1 17368292 KTLAWDNVAGSQFW-UHFFFAOYSA-N 326.268 2.821 30 40 EFEB CC(C)(C)c1ccc(OC[C@@H]2CCN(c3cccnc3C#N)C2)nn1 1888846742 BSFKTQHYHJTNRZ-CQSZACIVSA-N 337.427 2.946 30 40 EFEB N#Cc1ncccc1N1CCC(c2nnc3ccc(C4CC4)nn23)CC1 1889149462 PYERYIBKPYRIJF-UHFFFAOYSA-N 345.410 2.652 30 40 EFEB Cc1noc(C)c1CN(C1CC1)S(=O)(=O)c1ccc(C#N)cc1 54255843 RRXZSAUQMDNTQE-UHFFFAOYSA-N 331.397 2.516 30 40 EFEB Cc1ccc([C@@H](CNc2oc(CF)nc2C#N)N2CCOCC2)cc1 35681821 OOEPMYFYAIRKRM-MRXNPFEDSA-N 344.390 2.810 30 40 EFEB C#CCNC(=O)c1ccc(OCc2cc(C)on2)c(Br)c1 58264257 ZFVNGQQGOZRTAM-UHFFFAOYSA-N 349.184 2.688 30 40 EFEB N#Cc1c(F)cccc1N1CCN(Cc2cn3ccccc3n2)CC1 58343315 OUHQJGDYGVRKPN-UHFFFAOYSA-N 335.386 2.667 30 40 EFEB C[C@H](OC(=O)c1sccc1-n1cnnn1)c1cccc(C#N)c1 95450017 QBURWIKPPVWZRL-JTQLQIEISA-N 325.353 2.513 30 40 EFEB Cc1nc2n(n1)[C@H](c1cccc([N+](=O)[O-])c1)C1=C(C[C@@H](C)CC1=O)N2 10339528 PVZXPXHEYYJYOI-JDNHERCYSA-N 339.355 2.763 30 40 EFEB N#CCCN(C(=O)COCc1ccccc1Cl)C1CCOCC1 65515878 YEBBATYRMDGVDV-UHFFFAOYSA-N 336.819 2.778 30 40 EFEB Cc1ccn(CC(=O)N[C@@H](C)c2ccc(Cl)cc2)c(=O)c1C#N 97114968 PAWKWLDIDLPNJZ-LBPRGKRZSA-N 329.787 2.559 30 40 EFEB Cc1sc(NC(=O)[C@@H]2CC(=O)N(CC(F)(F)F)C2)c(C#N)c1C 84061898 FCOXPVFPMMVVQR-SECBINFHSA-N 345.346 2.586 30 40 EFEB C=C(C)COc1cccc(NC(=O)NCc2nncn2C2CC2)c1 84670856 DHYATYRQVNKJJT-UHFFFAOYSA-N 327.388 2.890 30 40 EFEB C/N=C(/NCc1noc(C)n1)N[C@@H](C)c1cccc(C(F)(F)F)c1 88922434 NIZIWFHILXMFEH-VIFPVBQESA-N 341.337 2.823 30 40 EFEB Cc1ccc(N=C[C@H]2C(=O)NC(=O)N(c3ccccc3C)C2=O)cc1 408527572 OVUJDOLXWYPIJH-HNNXBMFYSA-N 335.363 2.905 30 40 EFEB CC1=C(C(=O)OC(C)C)[C@@H](c2ccccc2Cl)N/C(=N/C#N)N1 95115778 WAZZFBVWFZUTPH-CQSZACIVSA-N 332.791 2.637 30 40 EFEB Cc1cn2c(n1)CC[C@H](NCc1cn(C)nc1-c1ccc(C#N)cc1)C2 97232515 NKBUEGUAKYYMMP-SFHVURJKSA-N 346.438 2.568 30 40 EFEB C=CCOC[C@@]12CCCO[C@@H]1CCN(C(=O)Cc1ccsc1)C2 96039670 LJXOATZBAJVWAE-AEFFLSMTSA-N 335.469 2.891 30 40 EFEB COc1ccccc1OCC#CCNC(=O)c1ccccc1OC 90610356 MJROMJNLWGQXPK-UHFFFAOYSA-N 325.364 2.516 30 40 EFEB C/N=C(/NCc1nc(C)c(C)o1)N[C@H]1C[C@H](C)N(c2ccccc2)C1 81210719 DWBXVLYBGVKUCF-BBRMVZONSA-N 341.459 2.624 30 40 EFEB O=C1CSC(N/N=C/c2ccccc2OCC2=CC[C@H](F)C=C2)=N1 3255921 QPJSRRDJNPDABQ-MRGVZLDZSA-N 345.399 2.843 30 40 EFEB COc1ccc(C(=O)COc2ccc(C#N)cc2OC)cc1OC 5629649 ONXOFEOFIXPJGI-UHFFFAOYSA-N 327.336 2.846 30 40 EFEB COc1cc(/C=C2/SC(=S)NC2=O)cc(Cl)c1OCC#N 5720180 RJNDIVPZYHMSHY-UXBLZVDNSA-N 340.813 2.740 30 40 EFEB CC(=O)[C@@]12O[C@H]1C[C@H]1[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@H](O)C[C@@]12C 118912544 XPOFTPYDSZJRKX-GEIPHRJASA-N 344.451 2.826 30 40 EFEB Cc1ccc(S(=O)(=O)/N=C(\O)N[C@H](C)Cc2ccccc2)cc1 347016 XILWEASNBDKGSA-CQSZACIVSA-N 332.425 2.819 30 40 EFEB Cc1ccc(/C=C2\Oc3c(ccc(O)c3CN3CCOCC3)C2=O)o1 13540628 HCKRDNBFIVYEMV-YVLHZVERSA-N 341.363 2.742 30 40 EFEB CC(C)CCC[C@H](C)NC(=O)CSc1nc(N)cc(N)c1C#N 32776246 IJPKNPSQSNLZQO-NSHDSACASA-N 335.477 2.541 30 40 EFEB CS[C@H]1CN(c2cc(C#N)cc([N+](=O)[O-])c2C)C[C@@H]1N1CCCC1 108502922 SMLYHJGGVQEOJU-IRXDYDNUSA-N 346.456 2.791 30 40 EFEB N#Cc1nc(NC(=O)c2ccc(Sc3ccccn3)cc2)[nH]c1C#N 58244755 OQAAZLSBXUOOFV-UHFFFAOYSA-N 346.375 2.952 30 40 EFEB Cc1csc2nc(CS/C(N)=N/C3CCCCC3)cc(=O)n12 29493855 MQLUEGYHIVTRLW-UHFFFAOYSA-N 336.486 2.945 30 40 EFEB CC(C)(C)OC(=O)NCC1CCN(C(=O)C#Cc2ccccc2)CC1 84240563 NPSBPCSSPCUVPY-UHFFFAOYSA-N 342.439 2.801 30 40 EFEB O=C(O)COc1ccc(/C=C/C(=O)c2ccc3c(c2)OCO3)cc1 7743746 PDJQHEZABUNWLJ-XVNBXDOJSA-N 326.304 2.775 30 40 EFEB CC(C)CNC(=O)N1CCC[C@H](C(=O)N[C@H](C#N)c2ccsc2)C1 95400523 GOKXSVBGFQZSGY-DZGCQCFKSA-N 348.472 2.507 30 40 EFEB N#Cc1cccc(CNC(=O)c2ccc(-c3ccccc3)[nH]c2=O)c1 75117545 RDLFDBJEBHIWKW-UHFFFAOYSA-N 329.359 2.844 30 40 EFEB CC(C)COCC/C(O)=N/S(=O)(=O)c1ccc(C#N)c(Cl)c1 78612360 SZGOWDUTIKMDAW-UHFFFAOYSA-N 344.820 2.920 30 40 EFEB Cc1ccc(S(=O)(=O)[C@H]2[C@@H](c3ccccc3)[C@@]2(C#N)C=O)cc1 225633994 BZJSWOFGLCEHBZ-FGTMMUONSA-N 325.389 2.644 30 40 EFEB Cc1cc(C#N)ccc1S(=O)(=O)N[C@H](CCCO)c1ccccc1 96483535 OCSRQTOLMCZKJR-QGZVFWFLSA-N 344.436 2.659 30 40 EFEB N#Cc1cccc(COc2cccc(CN[C@@H]3CCCCNC3=O)c2)c1 54174479 BKAAUKFVSHLFNO-HXUWFJFHSA-N 349.434 2.896 30 40 EFEB N#Cc1cc(Br)ccc1N1CCO[C@@H]([C@@H]2CCCO2)C1 96008515 HONMFSADWXMJKB-LSDHHAIUSA-N 337.217 2.705 30 40 EFEB O=S(=O)(N/N=C/c1ccc2ccccc2c1O)c1ccccc1 5684482 DEGUTCBQYAEDIZ-LDADJPATSA-N 326.377 2.858 30 40 EFEB COc1ccc(/C=N/N2C(=O)CS/C2=N/c2ccccc2)cc1O 12371155 KTNTULUIHKWSGT-PLZFDSBDSA-N 341.392 2.998 30 40 EFEB CC[C@](C)(C#CCN1CCOCC1)OCCOCc1ccccc1 19909933 RJPIAJFYTGIOTN-HXUWFJFHSA-N 331.456 2.724 30 40 EFEB C=CCNC(=O)c1nc(-c2ccccc2)n(-c2ccc(OC)cc2)n1 13568889 ZQOJJMHIPKXNIN-UHFFFAOYSA-N 334.379 2.859 30 40 EFEB N#CC1(NC(=O)CNc2ccccc2OCC(F)(F)F)CCCC1 40487703 WRQXZZUJEVOXTO-UHFFFAOYSA-N 341.333 2.992 30 40 EFEB C[C@H](Oc1ccccc1C#N)C(=O)N[C@@H](CC(=O)O)c1ccccc1 78336383 JVDVXDXFISUXSB-BBRMVZONSA-N 338.363 2.658 30 40 EFEB C[C@H](c1ccc(Cl)cc1)N1CCN(c2nccnc2C#N)CC1 78463525 ZIDLYSNMGUUUKZ-CYBMUJFWSA-N 327.819 2.885 30 40 EFEB Cc1cc(/C=N/n2c(C)nc3ccccc3c2=O)c(O)c([N+](=O)[O-])c1 36127296 HIORSLGYQNBOLU-GIJQJNRQSA-N 338.323 2.509 30 40 EFEB CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)Cc1ccccc1F 47011706 NSTCKMPNRZSTIG-UHFFFAOYSA-N 339.414 2.830 30 40 EFEB C=CCOc1cccc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])c1 52410981 JCDPIQIZBNVYCE-UHFFFAOYSA-N 334.353 2.960 30 40 EFEB Cc1ccc(C[C@H](C#N)Sc2nnnn2-c2ccc(O)cc2)cc1 12880452 OEUHNXCQZIVNLG-MRXNPFEDSA-N 337.408 2.903 30 40 EFEB C=CCNC(=O)CN1c2ccccc2NC(=O)C[C@H]1c1ccccc1 97141057 CIKRBZLVBWKSRF-SFHVURJKSA-N 335.407 2.879 30 40 EFEB CNc1nc(SCC(=O)NC2(C#N)CCCC2)nc2ccccc12 14198660 NELBKDCMFOVYDH-UHFFFAOYSA-N 341.440 2.716 30 40 EFEB CC/N=C(\NCC)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1 66243625 QAIOVCAQZFAJAW-ZIAGYGMSSA-N 336.455 2.514 30 40 EFEB Cc1cc2oc(=O)cc(Cn3nc(C)c(C)c(C#N)c3=O)c2cc1C 7384657 FHKSKXZHBAXICE-UHFFFAOYSA-N 335.363 2.503 30 40 EFEB CN(C(=O)C#Cc1ccccc1)C1CCN(C(=O)c2ccccc2)CC1 81655463 BAHKRSXFAKAKNG-UHFFFAOYSA-N 346.430 2.801 30 40 EFEB CN(CC(=O)[C@@H](C#N)c1nc2ccccc2[nH]1)C(=O)OC(C)(C)C 84199805 UNMZMSKCFYYKLI-LLVKDONJSA-N 328.372 2.606 30 40 EFEB C[C@H](NCc1ccccc1S(=O)(=O)N(C)C)c1cccc(C#N)c1 97034417 GAWJAJDHEJLRRV-AWEZNQCLSA-N 343.452 2.659 30 40 EFEB C#CCOc1ccc(/C=C2/NC(=O)N(Cc3ccccc3)C2=O)cc1 409230465 YNPXZIPNOYGTKV-QGOAFFKASA-N 332.359 2.792 30 40 EFEB COc1ccccc1N1CCN(c2ncc(C#N)cc2Cl)CC1 263753184 GXKDIBDVEPVEFT-UHFFFAOYSA-N 328.803 2.942 30 40 EFEB Cn1c(S[C@@H]2CCN(c3sccc3C#N)C2=O)nnc1C1CC1 83090666 FCAGKKYVWURUNG-LLVKDONJSA-N 345.453 2.523 30 40 EFEB C[C@H]1C[C@@H](C)CN(S(=O)(=O)c2oc(-c3ccccc3)nc2C#N)C1 96346166 WCECYOQUHIHGGL-BETUJISGSA-N 345.424 2.880 30 40 EFEB C=C(C)CN(CC)C(=O)NC[C@@H]1CC(=O)N(C)[C@H]1c1ccccc1 96500367 XIGMZBYINMLFOY-WMZOPIPTSA-N 329.444 2.814 30 40 EFEB N#Cc1nccnc1N1C[C@H]2CC[C@H]1[C@@H]1CN(Cc3ccccc3)C[C@@H]21 585091411 FMNAPXGQGKSWKK-RMJJICAUSA-N 345.450 2.695 30 40 EFEB CN(c1nn(-c2ccc([N+](=O)[O-])cc2)nc1C#N)C1CCCCC1 256047766 OPRJZZNFBZBZND-UHFFFAOYSA-N 326.360 2.816 30 40 EFEB CC(C)(C)c1ccc([C@H](C#N)NC(=O)COC[C@H]2CCCO2)cc1 79095316 FGMVIZKUHFACRZ-SJORKVTESA-N 330.428 2.861 30 40 EFEB N#C[C@H](C(=O)NCc1ccccc1)C(=O)c1ccc(-n2ccnc2)cc1 101966140 QYNLLOJBWDZZTK-SFHVURJKSA-N 344.374 2.511 30 40 EFEB CN(c1cccc(/N=C/c2ccccc2[N+](=O)[O-])c1)S(C)(=O)=O 19855676 SPGUBDOJMCFJBT-LFIBNONCSA-N 333.369 2.741 30 40 EFEB C=CCOCc1ncn2c1CN(C(=O)c1cccc(Cl)c1)CC2 2055713804 MSOICWHNEDUBBZ-UHFFFAOYSA-N 331.803 2.895 30 40 EFEB CCN(C[C@@H](C)C#N)C(=O)COC(=O)c1oc2ccccc2c1C 50195478 UARVGKLFNOLXPQ-LBPRGKRZSA-N 328.368 2.906 30 40 EFEB N#Cc1ccc([C@H]2CC(=O)OC3=C2C(=O)c2ccccc2C3=O)cc1 32090720 NXMXHHHIGHKFBV-OAHLLOKOSA-N 329.311 2.922 30 40 EFEB C=CCc1ccccc1OC[C@H](O)CN1CCC[C@@H]1c1cnn(C)c1 106837530 QOZBJCQQMSGXSJ-RTBURBONSA-N 341.455 2.725 30 40 EFEB COc1ccc(CCNC(=O)COc2ccc(C#N)cc2Cl)cc1 7856019 OQWTUVZCOUJZKA-UHFFFAOYSA-N 344.798 2.958 30 40 EFEB N#Cc1c(Cl)nsc1NC[C@@H](O)COc1ccc(F)cc1 57149495 UGHKMTVZTUPHES-SECBINFHSA-N 327.768 2.659 30 40 EFEB COc1ccccc1/C=C/C(=O)c1ccc(NS(C)(=O)=O)cc1 58357409 LBRWFOODMXVXDK-FMIVXFBMSA-N 331.393 2.963 30 40 EFEB C=CC[C@@H]1N([C@H](C)c2ccccc2)C(=O)[C@@H]2[C@H](C(=O)O)[C@H]3C=C[C@@]12O3 12660100 YWYCUWTWYARELT-CQQVFXFCSA-N 339.391 2.559 30 40 EFEB biogenic Cc1nnc(SCC(=O)Nc2sc3c(c2C#N)CCCC3)n1C 7234737 DWMBNPJKOHXVGF-UHFFFAOYSA-N 347.469 2.666 30 40 EFEB Cc1ncsc1-c1nc2ccccc2n1CC(=O)NC1(C#N)CC1 96431076 VLYPUSZCJOTJQK-UHFFFAOYSA-N 337.408 2.641 30 40 EFEB C[C@H](Oc1ccc(C#N)cc1)C(=O)NCCCn1cnc2ccccc21 8174535 RDISLLLDFODDKU-HNNXBMFYSA-N 348.406 2.882 30 40 EFEB N#Cc1cccc(CNC2CCC(C(=O)N3CCSCC3)CC2)c1 71854232 XIBWUYHODPMXLW-UHFFFAOYSA-N 343.496 2.782 30 40 EFEB N#Cc1c(-c2ccc(OCC(N)=O)cc2)c(-c2ccccc2)c[nH]c1=N 408980248 QBNDIKLOLZCMMU-UHFFFAOYSA-N 344.374 2.564 30 40 EFEB Cc1cc(I)ccc1NC(=O)N(C)CCC#N 84093169 QBLFSVKMKIOFIF-UHFFFAOYSA-N 343.168 2.977 30 40 EFEB N#Cc1ccc(OC[C@@H](O)COc2cccc3[nH]ccc23)c(F)c1 195545856 KUQGVBNLNMPMBO-ZDUSSCGKSA-N 326.327 2.997 30 40 EFEB Cc1nc(C(F)(F)F)ccc1C(=O)[C@H](C#N)C(=O)Nc1ccccn1 195281519 WCTCKZALFISKBI-NSHDSACASA-N 348.284 2.765 30 40 EFEB CCO[C@@H]1C[C@@H](NC2CCN(c3ccc(C#N)cn3)CC2)C1(C)C 96493389 YSUPNIFPKXLKQB-IAGOWNOFSA-N 328.460 2.715 30 40 EFEB N#CCCCS(=O)(=O)NC1(c2cccc(Br)c2)CC1 96419793 AKKPTXVMQHOQBL-UHFFFAOYSA-N 343.246 2.661 30 40 EFEB C=C(C)Cn1c(Cc2cccnc2)nnc1N1CCO[C@@H](C(C)C)C1 1615587408 LCMVQNWIITZAJZ-QGZVFWFLSA-N 341.459 2.701 30 40 EFEB N#Cc1ccc(Cl)c(NS(=O)(=O)c2ccc3c(c2)OCO3)c1 155018244 KMYCQEUMCGIYJJ-UHFFFAOYSA-N 336.756 2.741 30 40 EFEB Cn1/c(=N\C(=O)c2ccc(C#N)cc2)sc2cc3c(cc21)OCO3 12080591 LFPPAOBUAAQUBW-HTXNQAPBSA-N 337.360 2.581 30 40 EFEB CNC(=O)[C@@H](C#N)C(=O)c1csc(-c2ccc(OC(C)C)cc2)n1 101927905 UXQCVFZAXNODEW-ZDUSSCGKSA-N 343.408 2.666 30 40 EFEB CN(C1(C#N)CCC1)S(=O)(=O)c1cc(Cl)c(N)c(Cl)c1 97141681 FMYPWFZGKQRVBJ-UHFFFAOYSA-N 334.228 2.642 30 40 EFEB COc1cc(/C=N/n2cnnc2)ccc1Oc1nc(Cl)ncc1F 2310600 OLRDVJCOCQUYSQ-DENHBWNVSA-N 348.725 2.544 30 40 EFEB CCO[C@@H]1C[C@@H](O)C12CCN(c1cc(C#N)c3ccccc3n1)CC2 95400829 RICNYOFQVOQCMP-QZTJIDSGSA-N 337.423 2.863 30 40 EFEB COCCOC(=O)/C(OC1=CC(=O)C[C@H](c2ccco2)C1)=C(/C)O 101139029 MZWLWWJHOZRGOP-JASJWYONSA-N 336.340 2.606 30 40 EFEB CC[C@H]1CC[C@@H](C)N1C(=O)CCc1c(C)nc2c(C#N)cnn2c1C 95459206 AOBFEPPFODMEAW-WBMJQRKESA-N 339.443 2.940 30 40 EFEB C[C@H]1C[C@H](/C(O)=N/S(=O)(=O)c2cccc(Cl)c2)CCC1=O 95461485 HDDXQEPLUUSFPR-VHSXEESVSA-N 329.805 2.991 30 40 EFEB Cc1ccc(CNC(=O)[C@@H](C#N)C(=O)CCc2c(C)noc2C)cc1 102752370 PTEMGZLGXHNDGM-KRWDZBQOSA-N 339.395 2.558 30 40 EFEB CC[C@H](O)CN(c1ccccc1)S(=O)(=O)c1cccc(C#N)c1 65590480 QBBUUUSBUPGULD-INIZCTEOSA-N 330.409 2.524 30 40 EFEB C=CCn1cnn(CN2CCc3cc(OC)c(OC)cc3C2)c1=S 8106427 GYJKIJLYZVUNLW-UHFFFAOYSA-N 346.456 2.633 30 40 EFEB N#Cc1ccc(C(=O)NCC(=O)N2CCC[C@H]2c2ccsc2)cc1 69559076 YTUWJSLURUHFQF-INIZCTEOSA-N 339.420 2.713 30 40 EFEB CCc1nnc(S)n1/N=C/c1ccc(-c2ccc(C(=O)O)cc2)o1 408852765 WFBIIZBGUALMEB-RQZCQDPDSA-N 342.380 2.970 30 40 EFEB Cc1nc(C(=O)N(CCC#N)c2ccc3c(c2)OCCO3)cs1 79000360 HRWGIHSCCLNPSX-UHFFFAOYSA-N 329.381 2.783 30 40 EFEB CN1CCC(C#N)(NC(=O)Cc2ccc(Cl)c(Cl)c2)CC1 58003501 LMSNJFSYBLGWAL-UHFFFAOYSA-N 326.227 2.640 30 40 EFEB O=S(=O)(N/N=C/c1c(O)ccc2ccccc12)c1ccccc1 3388989 NCTDQVYNIRQRPY-LDADJPATSA-N 326.377 2.858 30 40 EFEB COc1ccc(C(=O)O/N=C(\N)c2ccc(Cl)cc2)c(OC)c1 12655334 HZUGJJVOPNZAOM-UHFFFAOYSA-N 334.759 2.835 30 40 EFEB COc1ccc(Br)cc1/C=N/N1C(=O)CSC1=S 3529693 NMPQXMMUYCTSIY-WLRTZDKTSA-N 345.243 2.652 30 40 EFEB C[C@@H]1CN(C(=O)CO/N=C/c2ccc(Cl)c(Cl)c2)C[C@@H](C)O1 20858062 LSMKVBMNINCJND-UASCGTMTSA-N 345.226 2.980 30 40 EFEB N#Cc1cccc(OCCN2CCNC(=O)C[C@@H]2c2ccccc2)c1 52836942 LHBQLRGMNBTXPZ-LJQANCHMSA-N 335.407 2.500 30 40 EFEB COC(=O)c1ccc(-c2ccc(/C=N/NC(N)=S)o2)cc1Cl 565830 BDAYXIRJFKMXHI-REZTVBANSA-N 337.788 2.554 30 40 EFEB COc1ccccc1[C@H]1C(C(C)=O)=C(O)C(=O)N1Cc1ccco1 74568 QMDQUFBKJGKQMN-INIZCTEOSA-N 327.336 2.773 30 40 EFEB Cc1ccc2nc(SCC(=O)NC[C@@H]3CCCO3)c(C#N)cc2c1 410774 YNWZKUCVJXOKRZ-HNNXBMFYSA-N 341.436 2.802 30 40 EFEB N#Cc1ccccc1S(=O)(=O)Nc1ccn(Cc2ccccc2)n1 55635793 VTKHBYDGHRHCQT-UHFFFAOYSA-N 338.392 2.604 30 40 EFEB CC(=O)[C@H]1C[C@@H](O)[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C 118929575 LCDAMWASKLSANR-YISTTZDESA-N 346.467 2.665 30 40 EFEB C[C@@H](Oc1ccc(C#N)cc1)C(=O)Nc1cccc(C(=O)NC2CC2)c1 12999911 RKSCOOABEBQXSI-CYBMUJFWSA-N 349.390 2.856 30 40 EFEB N#Cc1cnc(N2CCCN(c3ncccc3C#N)CC2)c(Cl)c1 65564968 HAMOHSPHOMISOE-UHFFFAOYSA-N 338.802 2.590 30 40 EFEB CC(=O)NCCCNC(=O)c1cccc(Nc2ccc(C#N)cc2)c1 96414264 KNEMGCIKGWPVCH-UHFFFAOYSA-N 336.395 2.558 30 40 EFEB CN(Cc1noc(C2CC2)n1)[C@H]1CCN(Cc2ccccc2C#N)C1 72300008 SSWBGIIOHLQFRJ-KRWDZBQOSA-N 337.427 2.525 30 40 EFEB CN(C)c1ccc(CNC(=O)NCc2ccc(C#N)cc2F)cc1F 75584498 VIXUEQOIWRNWQS-UHFFFAOYSA-N 344.365 2.902 30 40 EFEB Cc1ccc([C@H](C)/C(O)=N/S(=O)(=O)C[C@@H]2CCCCO2)cc1 78411458 PLANUNPLHSUTNI-ZFWWWQNUSA-N 325.430 2.954 30 40 EFEB Cc1cccc(CNC(=O)C2(C#N)CCOCC2)c1Br 191735464 ZNRLKJJURAIZPX-UHFFFAOYSA-N 337.217 2.694 30 40 EFEB CCOc1cc(/C=C2\C(=O)ON=C2C)cc(Br)c1O 96193675 KMWVKLKQXPVEIU-WTKPLQERSA-N 326.146 2.870 30 40 EFEB C=CCOC[C@]12CCCO[C@H]1CCN(C(=O)COc1ccccc1)C2 96039685 LQZIJVWBJUMOEU-AZUAARDMSA-N 345.439 2.666 30 40 EFEB C/N=C(/NCc1ccccn1)NCc1ccccc1OC(F)(F)F 96404102 RBBGEAZDJCLKIM-UHFFFAOYSA-N 338.333 2.845 30 40 EFEB C=CCN1CC[C@@H](N(C)C(=O)N[C@H](C2CCCC2)C(F)(F)F)C1=O 281913817 JCMGVPBHPBIHHY-CHWSQXEVSA-N 347.381 2.536 30 40 EFEB CC(C)(C)OC(=O)N1CCC[C@@H](C#CC(=O)NCCc2ccco2)C1 585121152 HJEOFGYXTABGJR-HNNXBMFYSA-N 346.427 2.589 30 40 EFEB N#CC1(C#N)[C@@H](c2ccccn2)O[C@@]23CCCCC[C@H]2[C@]1(C#N)C(=N)O3 5053365 WZTBGWGNYMAMTR-OSGQAZFXSA-N 347.378 2.981 30 40 EFEB COCCn1c(SCC(=O)Nc2ccccc2C#N)nc(C)c1C 32893872 BEBSUWNQNSINJB-UHFFFAOYSA-N 344.440 2.749 30 40 EFEB C=CC[C@@H]1N(c2cccc(Cl)c2)C(=O)[C@H]2[C@@H](C(=O)O)[C@H]3C=C[C@]21O3 4237663 VUDFUINTGFJQPH-SUKQMUEJSA-N 345.782 2.656 30 40 EFEB C=CCO[C@H]1[C@H]2CC[C@H]1N(CCc1ccc(OC)c(OC)c1)CCO2 107720854 UTPPLAAGLGTTTO-YVWKXTFCSA-N 347.455 2.681 30 40 EFEB Cc1[nH]c2ccccc2c1/C=N/N1C(=O)[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@H]34)[C@@H]2C1=O 100386594 IKZCSAPFNLJAJB-SRJWOBEMSA-N 345.402 2.863 30 40 EFEB N#Cc1cn(-c2cccc(OCc3cccc(F)c3)c2)c(=O)nc1O 48331853 AXMQMAMLKLMTOU-UHFFFAOYSA-N 337.310 2.528 30 40 EFEB CC(C)c1cc(C(=O)N[C@@H](C#N)c2cnn(-c3ccccc3)c2)nn1C 84622470 SDZNPQWHHKFDAP-KRWDZBQOSA-N 348.410 2.724 30 40 EFEB N#CC1(NC(=O)COc2cc3ccccc3cc2C(=O)O)CCCC1 13050183 TXLFYMUCDLZYLA-UHFFFAOYSA-N 338.363 2.869 30 40 EFEB Cc1csc(SCC(=O)Nc2ccc([N+](=O)[O-])cc2C#N)n1 7196355 ANOMXABOUBTNIM-UHFFFAOYSA-N 334.382 2.962 30 40 EFEB CN(CC(F)(F)F)C1CCN(c2ccc([N+](=O)[O-])c(C#N)c2)CC1 96503222 CTSMCBLHBREJCR-UHFFFAOYSA-N 342.321 2.929 30 40 EFEB C/N=C(/NCCC1=CCCCC1)NCc1nnc2n1CCCCC2 75611919 VDWZCQOLKFBUMU-UHFFFAOYSA-N 330.480 2.560 30 40 EFEB N#Cc1ccc(Cn2cc([C@@H]3OCCN3c3ccccc3)nn2)cc1 216756018 MQVFGJRLNWBFCV-IBGZPJMESA-N 331.379 2.733 30 40 EFEB N#CCN1CCN(C(=O)c2ccccc2Oc2ccccc2C#N)CC1 195553010 SHDRJPAARLDEBQ-UHFFFAOYSA-N 346.390 2.632 30 40 EFEB CN(/C(N)=N/C[C@H]1CCN(C)[C@@H]1c1ccc(Cl)c(F)c1)C1CC1 252478966 AYDOUNSSBPBCRP-MLGOLLRUSA-N 338.858 2.881 30 40 EFEB C[C@@H]1[C@@H](C(F)(F)F)CCCN1S(=O)(=O)c1ccsc1C#N 593579238 UMUMHTXOGJTYIK-BDAKNGLRSA-N 338.376 2.971 30 40 EFEB CCC(C)(C)[C@H](O)C(=O)NC1CCC(Oc2ccc(C#N)cn2)CC1 602134826 XVSLHRRYUXWMIT-VMBOVVBDSA-N 345.443 2.557 30 40 EFEB COc1ccccc1N1CCN(/N=C/c2ccc([N+](=O)[O-])cc2)CC1 136640 AIABCCLQLAWZCM-XMHGGMMESA-N 340.383 2.760 30 40 EFEB N#C[C@H](C(=O)OC[C@@H]1CCCO1)c1nc2ccccc2nc1Cl 5031686 PZCADNSSDJVFRU-QWRGUYRKSA-N 331.759 2.613 30 40 EFEB COCCN(Cc1ccco1)C(=O)Nc1cc(C#N)ccc1OC 50107863 LPZJHBMTQJIILT-UHFFFAOYSA-N 329.356 2.840 30 40 EFEB Cc1ccc(OCCN(c2cccc(C#N)c2)S(C)(=O)=O)cc1 12983134 PXALVEXTIHLNSP-UHFFFAOYSA-N 330.409 2.712 30 40 EFEB CCCCCCCCCn1c(Cl)nc2c1c(=O)n(C)c(=O)n2C 3671676 ILPQSDANZQKBNX-UHFFFAOYSA-N 340.855 2.838 30 40 EFEB biogenic COc1cccc([C@H](C)N2CCN(C[C@@H](C#N)CCC#N)CC2)c1 69845060 GPXBFJGMIPYAEG-DLBZAZTESA-N 326.444 2.817 30 40 EFEB COc1ccc([C@@H]2C[C@H](C)CN2S(=O)(=O)CC2(C#N)CC2)cc1 95944300 BOXJYZMFIFQOME-BBRMVZONSA-N 334.441 2.712 30 40 EFEB CCOC(=O)C1=C(NC(=O)CC)S/C(=C\C=C\c2ccco2)C1=O 409079836 BQKFMNZPULXLOA-RTFKAXJXSA-N 347.392 2.794 30 40 EFEB CCCCSCCC(=O)N1CCN(c2cc(C#N)ccn2)CC1 96416880 FWCXHFDIVLVUSL-UHFFFAOYSA-N 332.473 2.525 30 40 EFEB C=CCOC[C@@H]1CC[C@@H]2[C@@H]1OCCN2C(=O)c1ccc(F)c(F)c1 96082475 CHERGVXJESTXQU-IAOVAPTHSA-N 337.366 2.787 30 40 EFEB C=CCO[C@@H]1CCN(Cc2cccc(C#N)c2)[C@H]1Cc1cnn(C)c1 96200243 QQKHJCCOBIZHJV-VQTJNVASSA-N 336.439 2.680 30 40 EFEB [CH]1SN=N[C@@H]1c1cc([C@H]2C=[S+]N=N2)cc([C@@H]2C=S=NN2)c1 368027396 DTZJFWDXSKHIFR-SDDRHHMPSA-N 334.455 2.938 30 40 EFEB C=CCOc1ccc(/C=C2/SC(=S)N([C@@H](C)C(=O)O)C2=O)cc1 6097146 KHJGKIAEUCHFBJ-YWEFTTLKSA-N 349.433 2.926 30 40 EFEB Cc1sc(NC(=O)CS(=O)(=O)Cc2ccccc2)c(C#N)c1C 10619714 JUJRJHSWQLKQTN-UHFFFAOYSA-N 348.449 2.790 30 40 EFEB FC(F)(F)C(F)(F)OCCNCCOC(F)(F)C(F)(F)F 97949910 RAKJSWWBFGDHRE-UHFFFAOYSA-N 341.145 2.919 30 40 EFEB CCc1nn(C)c(CC)c1S(=O)(=O)/N=C(\O)[C@@H](C)c1ccccc1 97107098 LQFKRHYZZIYYTH-LBPRGKRZSA-N 349.456 2.994 30 40 EFEB COc1cccc(S(=O)(=O)/N=C(\O)COC2CCCCC2)c1 58187718 ZXVKBCDAXQFUSP-UHFFFAOYSA-N 327.402 2.690 30 40 EFEB C[C@@H]1CN(CCC(=O)Nc2sc3c(c2C#N)CCC3)[C@H](C)CO1 58429831 PBAAZBVYNQPIIB-VXGBXAGGSA-N 333.457 2.546 30 40 EFEB COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)Oc1ccccc1C#N 3445584 SIRRDFRWDBSRRY-NSHDSACASA-N 341.323 2.881 30 40 EFEB Cn1c(C2=C(N)N(c3cccc(Cl)c3)CC2=O)nc2ccccc21 5214020 ZVFCXGCKFYKNLO-UHFFFAOYSA-N 338.798 2.943 30 40 EFEB COc1ccc(/C=N/NCc2ccc(OC)c(OC)c2)cc1OC 20195763 QQJCYCSWFALCIL-YBFXNURJSA-N 330.384 2.845 30 40 EFEB Cc1ccc(S(=O)(=O)CCC(=O)OCc2ccccc2C#N)cc1 7317256 BFAKYXBNMMREHB-UHFFFAOYSA-N 343.404 2.774 30 40 EFEB CCn1c(N)c2c(=O)n(CC)c(-c3ccc(C)cc3)cc2c(C#N)c1=O 68754860 FCSGJULNMOIJNK-UHFFFAOYSA-N 348.406 2.632 30 40 EFEB N#C[C@H](NC(=O)c1ccc(CNC(N)=O)cc1)c1cccc(Cl)c1 69812022 VZKMNVSGQTUEDX-HNNXBMFYSA-N 342.786 2.503 30 40 EFEB C=CCOc1cc(OC)ccc1C(=O)N1CCC(n2cccn2)CC1 95944541 BFLNHKKWLJMXJO-UHFFFAOYSA-N 341.411 2.934 30 40 EFEB N#C[C@@]1(N)[C@H](c2ccc(Cl)cc2)[C@@H]1S(=O)(=O)c1ccccc1 218430962 SEXBEOZDBGOYQP-OWCLPIDISA-N 332.812 2.501 30 40 EFEB CN1C(=S)S[C@H](/[N+]([O-])=C/c2cccc([N+](=O)[O-])c2)C1(C)C 1836094 XVMNAWISONYYBU-LWHXSLQUSA-N 325.415 2.592 30 40 EFEB COc1ccc(CN2CCCN(C(=O)c3cccc(C#N)c3)CC2)cc1 32893637 MUTCTEUBFSENBS-UHFFFAOYSA-N 349.434 2.915 30 40 EFEB N#C[C@H](C(=O)CCCc1nc2ccccc2s1)C(=O)N1CCCC1 103259645 VZZAXHLFMYHRJT-CYBMUJFWSA-N 341.436 2.950 30 40 EFEB N#Cc1cccc(C(=O)N[C@H](Cc2ccccc2)C(=O)N2CCCC2)c1 58191384 NIPXAYCOFHHQRS-LJQANCHMSA-N 347.418 2.522 30 40 EFEB N#Cc1ccc(C(=O)N2CCC[C@@H](c3nnc4n3CCCCC4)C2)cc1 11546947 AUDBKZISWBJHCO-QGZVFWFLSA-N 349.438 2.896 30 40 EFEB N#CCCn1ncc2c(Nc3cnn(Cc4ccccc4)c3)ncnc21 65539119 JAGWDLBFPZGCCK-UHFFFAOYSA-N 344.382 2.728 30 40 EFEB C[C@@H](c1nc(C(C)(C)C)no1)N1CCN(c2ccc(C#N)cn2)CC1 71821772 OSHKMFOEBCOLCL-ZDUSSCGKSA-N 340.431 2.517 30 40 EFEB CS[C@@H](CNS(=O)(=O)CC1(C#N)CC1)c1cccc(Cl)c1 96503191 SFRBXHGTWFTMCM-ZDUSSCGKSA-N 344.889 2.967 30 40 EFEB N#Cc1ccc(C(=O)NCC(=O)Nc2ccc(-c3cnco3)cc2)cc1 97379202 WGDXHKXFQMPWDR-UHFFFAOYSA-N 346.346 2.582 30 40 EFEB Cc1nnc(S)n1/N=C/c1ccc(-c2ccccc2C(=O)O)o1 408871100 VWEOFWOZOROCIQ-LZYBPNLTSA-N 328.353 2.716 30 40 EFEB CSc1nnc(CN2CCN([C@H](C#N)c3ccccc3)CC2)s1 80907967 RHMFDKQEBQKJIE-CQSZACIVSA-N 345.497 2.642 30 40 EFEB N#Cc1cccc(OC[C@H]2CO[C@@H]3CN(C4CCSCC4)C[C@@H]32)c1 96219222 FZOIQWZNYCAYGE-KFKAGJAMSA-N 344.480 2.779 30 40 EFEB C[C@@H](C(=O)N(CCC#N)Cc1ccccn1)N1CCc2ccccc2C1 96412390 OAIUQAKJSBWHAS-KRWDZBQOSA-N 348.450 2.771 30 40 EFEB Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(CCC#N)[C@@H](C)C1CC1 69599374 VYDLHYZKTHVROQ-LBPRGKRZSA-N 337.401 2.606 30 40 EFEB C/N=C(/NCCc1cn2c(n1)CCCC2)N[C@@H](C)c1ccccc1C 73928370 XYUGXHSZKMENRL-INIZCTEOSA-N 339.487 2.997 30 40 EFEB C=CCn1c(S[C@@H](C)C(=O)O)nnc1-c1ccc([N+](=O)[O-])cc1 19854486 JJSVBWHTSKNPIK-VIFPVBQESA-N 334.357 2.605 30 40 EFEB C[C@H](Oc1ccccc1C#N)C(=O)N1CCN(Cc2ccccc2)CC1 22384975 IRGZHLXQRACJEQ-KRWDZBQOSA-N 349.434 2.670 30 40 EFEB N#Cc1ccccc1COc1ccccc1[C@@H]1CC(=O)Nc2ncnn21 6227076 LZRJZZXDYHUKTA-INIZCTEOSA-N 345.362 2.660 30 40 EFEB CNC(=O)C1CCN(c2cc(C)c(C#N)c3nc4ccccc4n23)CC1 25251949 KAIFLPSYLIWDOO-UHFFFAOYSA-N 347.422 2.630 30 40 EFEB COc1ccc(OC)c(NC(=O)[C@H](C)Oc2ccccc2C#N)c1 11399960 LURMOGWYNGNSJE-LBPRGKRZSA-N 326.352 2.981 30 40 EFEB N#Cc1ccccc1N1CCCN(C(=O)c2cc(C3CC3)[nH]n2)CC1 46851462 XEEMMLHLPUIJRO-UHFFFAOYSA-N 335.411 2.511 30 40 EFEB CCn1nccc1/C=C/C(=O)Nc1nc2cc(C#N)ccc2n1CC 95449933 GHLYKTIORAKWPU-SOFGYWHQSA-N 334.383 2.796 30 40 EFEB N#Cc1cccc(NC(=O)[C@H]2CCCN(C(=O)NC3CCCC3)C2)c1 72306848 YLDHMQPAXTVJKC-HNNXBMFYSA-N 340.427 2.861 30 40 EFEB CCCc1cc(=O)[nH]c(N/N=C/c2ccc(OC(C)C)c(OC)c2)n1 3947292 DIVODPSFLPPQMB-YBFXNURJSA-N 344.415 2.964 30 40 EFEB C=C(Cl)COc1ccc(S(=O)(=O)N2CCCC2)cc1[N+](=O)[O-] 5207317 LNSOQAPWZHGRAN-UHFFFAOYSA-N 346.792 2.511 30 40 EFEB C[C@H](C#N)CN(C)Cc1nnc(-c2ccc(Br)o2)o1 65494322 MCSYLGUFMSIWOO-MRVPVSSYSA-N 325.166 2.684 30 40 EFEB CNC(=O)COC(=O)c1ccccc1Sc1ccccc1C#N 6850216 SMRJURKZKCCAMK-UHFFFAOYSA-N 326.377 2.612 30 40 EFEB Cc1cc(/C(O)=N/S(=O)(=O)C[C@@H]2CCCCO2)c(C)n1C(C)C 71892483 YURSZKIIPDNVNA-AWEZNQCLSA-N 342.461 2.889 30 40 EFEB C#CCN(C(=O)Cc1ccc(S(=O)(=O)C(C)C)cc1)C1CCCC1 96500504 VVFIZEKISGLKLT-UHFFFAOYSA-N 347.480 2.816 30 40 EFEB CC(C)c1ccc(NC(=O)CN2CCN([C@@H](C#N)C(C)C)CC2)cc1 69598736 TWEXDIJILMHBSP-IBGZPJMESA-N 342.487 2.914 30 40 EFEB CCN(C[C@H](C)C#N)c1ccc(C(=O)c2nccn2C)cc1[N+](=O)[O-] 75105829 VQVRRKILZJIOEN-GFCCVEGCSA-N 341.371 2.545 30 40 EFEB Cc1cccc(N2C(=O)NC(=O)[C@@H](C=Nc3ccccc3C)C2=O)c1 408528107 RNVIRUZPUFXIBD-OAHLLOKOSA-N 335.363 2.905 30 40 EFEB COc1cc(Cl)c(OC(C)=O)cc1B1OC(C)(C)C(C)(C)O1 2362804349 NDHHTHMHDHLQAP-UHFFFAOYSA-N 326.585 2.573 30 40 EFEB N#C[C@@]1(C=O)[C@@H](S(=O)(=O)c2ccc(Cl)cc2)[C@@H]1c1ccccc1 218054967 LAOQKYXEDYTYNM-ULQDDVLXSA-N 345.807 2.989 30 40 EFEB N#CCC(=O)N1CCS/C1=C/c1csc(-c2cccnc2)n1 225263376 WQOPFROLEYMEFT-RIYZIHGNSA-N 328.422 2.993 30 40 EFEB Cc1cc(CO/N=C(/N)c2cccc(Cn3nc(C)cc3C)c2)on1 63510061 QQMHTDIKCWJLPP-UHFFFAOYSA-N 339.399 2.682 30 40 EFEB CN(C)C(=O)c1cccc(CCNc2ccc([N+](=O)[O-])cc2C#N)c1 96429629 NLCKJIBIJJFWBQ-UHFFFAOYSA-N 338.367 2.823 30 40 EFEB CCS(=O)(=O)c1cccc(CC(=O)N(C)c2cccc(C#N)c2)c1 97377993 XTEVZJVTICSMMW-UHFFFAOYSA-N 342.420 2.557 30 40 EFEB CC[C@@H]1CN([C@H](CC)C(O)=Nc2ccc(-n3ccnc3)nc2)CCO1 330031566 AIOKHNUPCUGNDN-HZPDHXFCSA-N 343.431 2.745 30 40 EFEB Cc1ccc([C@@H]2[C@@H](S(=O)(=O)c3ccc(Cl)cc3)[C@]2(N)C#N)cc1 242473343 FGUZPQFCMDISOL-ZACQAIPSSA-N 346.839 2.809 30 40 EFEB C=C1[C@H]2C[C@]3([C@@H](C[C@H]2O)[C@@]24CCC[C@@]5(C)CN(CC)[C@@H]2[C@@H]3C[C@@H]45)[C@@H]1O 252483770 FIAOWYBSINDVNF-ILFPCFKHSA-N 343.511 2.821 30 40 EFEB biogenic,in-vitro Cc1nnc(/N=C(\O)[C@@H](C)N2CCN(c3ccc(F)cc3)CC2)s1 20028131 FCXBABAVGJRCMQ-LLVKDONJSA-N 349.435 2.784 30 40 EFEB C[C@@H](C(=O)Nc1ccccc1C#N)N1CCC(N2CCCCC2)CC1 26439386 MQVCIRAGFHTVHT-INIZCTEOSA-N 340.471 2.836 30 40 EFEB CCOc1ccc2ncc(C#N)c(N3CCC(C(=O)O)CC3)c2c1 71328694 BWZYCJHANAILMY-UHFFFAOYSA-N 325.368 2.806 30 40 EFEB N#Cc1ccc(CNC(=O)N2CCO[C@H](c3ccccc3F)C2)cc1 67060333 POFQSNMZIZDVOO-SFHVURJKSA-N 339.370 2.980 30 40 EFEB CCCCOc1ccc(C(=O)OCC(=O)N[C@](C)(C#N)C2CC2)cc1 7718669 CMFOMLQXPPPGJZ-LJQANCHMSA-N 344.411 2.831 30 40 EFEB CCOC(=O)c1cnn([C@@H]2CCCN(Cc3cc(C#N)cs3)C2)c1 97051915 LQGYDPVZRIWWDQ-OAHLLOKOSA-N 344.440 2.830 30 40 EFEB N#Cc1cc2n(n1)CCN(C1CCN(c3ccc(F)c(F)c3)CC1)C2 1506420736 JTAOGJJADXUQIB-UHFFFAOYSA-N 343.381 2.518 30 40 EFEB C=CCn1c(SCc2nc(N(C)C)no2)nnc1-c1cccs1 194689523 BTTHVLJZQDOLKQ-UHFFFAOYSA-N 348.457 2.934 30 40 EFEB C/N=C(/NCCCOC[C@@H]1CCOC1)NC1CC(c2ccccc2)C1 81660146 KCWLPLLAOPUITN-IVMQYODDSA-N 345.487 2.541 30 40 EFEB N#Cc1ncn(Cc2cc(Br)cc3cccnc23)c1C#N 97379963 CWLLJOOGJGCBDU-UHFFFAOYSA-N 338.168 2.985 30 40 EFEB C#CCN1C(=O)[C@@]2(NCCc3c2[nH]c2ccccc32)c2ccccc21 13635153 QHGYTUFJVGVOOP-OAQYLSRUSA-N 327.387 2.537 30 40 EFEB N#Cc1ccc(N2C[C@H]3CCN(c4ncnc5ccsc45)[C@H]3C2)nc1 1889148895 SIIYHXSMNXHEHK-HIFRSBDPSA-N 348.435 2.673 30 40 EFEB CN(C)S(=O)(=O)c1ccccc1CNc1cccc(F)c1C#N 22137839 AAQRXSIBUUILSL-UHFFFAOYSA-N 333.388 2.560 30 40 EFEB CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)OC(=O)CCC(=O)c1ccccc1 22123492 GPJXZIHCWISXME-IFXJQAMLSA-N 344.411 2.636 30 40 EFEB C=CCOc1c(Br)cc(CN[C@@H](CC)CO)cc1OC 8326266 XWUYHDSTSIQLMJ-LBPRGKRZSA-N 344.249 2.883 30 40 EFEB C[C@@H](CO)NC(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1 91179839 FCQPJQSWJPYENR-NSHDSACASA-N 329.331 2.992 30 40 EFEB N#CCC[C@@H](C#N)Cn1cnc2c(NCc3ccccc3)ncnc21 71905336 LOENBXFVTTUMKP-HNNXBMFYSA-N 331.383 2.882 30 40 EFEB C=CCCO[C@H](C)C(=O)NCc1nc(-c2ccc(Cl)cc2)no1 72286049 WRQIOUSIKDKFQN-LLVKDONJSA-N 335.791 2.987 30 40 EFEB N#Cc1c(NC(=O)[C@@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)O)sc2c1CCC2 71892791 ZQLFEWDEONGWSL-VQSQSKOLSA-N 328.393 2.570 30 40 EFEB CC[C@H](NC(=O)C#Cc1ccc2c(c1)OCO2)c1ncc(C)s1 96475041 GYLBKELBLCIIDJ-ZDUSSCGKSA-N 328.393 2.799 30 40 EFEB Cc1cc(C)cc([C@@H]2CCN(S(=O)(=O)N(C)[C@@H](C)CC#N)C2)c1 252549438 REYNIGTUFFKMMG-JKSUJKDBSA-N 335.473 2.572 30 40 EFEB C=CCn1c(N2CCC(C(=O)NC(C)C)CC2)nc2ccccc21 12116473 JYNIWYVLMXKJPK-UHFFFAOYSA-N 326.444 2.963 30 40 EFEB CCOC(=O)/C(=N/Nc1ccccc1Cl)N1C[C@H](C)O[C@@H](C)C1 13132560 ZLFSWGJKLUHBMU-DFIPOOPDSA-N 339.823 2.738 30 40 EFEB COC[C@@H](C)NC(=O)[C@@H](C#N)C(=O)c1ccc(-c2ccccc2)cc1 103502975 CDUVJFJKSXSVKJ-KDOFPFPSSA-N 336.391 2.827 30 40 EFEB Cc1cc([C@@H]2CCCN2C(=O)[C@@H](C)Oc2ccccc2C#N)on1 53401940 FDCGPYRZOBLKNU-HIFRSBDPSA-N 325.368 2.986 30 40 EFEB CCOc1cccc(N2CCN(c3nc(C)cc(C)c3C#N)CC2)n1 106487839 CNXNTJGRCFKAID-UHFFFAOYSA-N 337.427 2.690 30 40 EFEB CCc1noc(C)c1C(=O)N1CCN([C@H](C#N)C2CCCCC2)CC1 57233290 CVQWJYDDJDCOQN-QGZVFWFLSA-N 344.459 2.776 30 40 EFEB CCN(Cc1ccc(C(=O)Nc2nc(C#N)c(C#N)[nH]2)cc1)C(C)C 58343297 BYDBRWNMQIOWQH-UHFFFAOYSA-N 336.399 2.636 30 40 EFEB C=CCCC(=O)N1CCC2(CCC(=O)N(Cc3ccncc3)C2)CC1 108531584 ZYHXNVOLRTXAMY-UHFFFAOYSA-N 341.455 2.779 30 40 EFEB N#CC1(C(=O)N[C@H]2CCN(c3ccc(Cl)c(F)c3)C2=O)CCCC1 95449710 AQUXITGZQUOZSG-AWEZNQCLSA-N 349.793 2.785 30 40 EFEB CCN(C[C@@H](O)c1ccc(C)cc1)S(=O)(=O)c1cccc(C#N)c1 95433346 ROYXQPPTWPQJJA-GOSISDBHSA-N 344.436 2.611 30 40 EFEB N#CCc1nccn1CCC(=O)Nc1cccc(Br)c1 95438679 UTRCBQGQIUEMDB-UHFFFAOYSA-N 333.189 2.740 30 40 EFEB COc1ccc(NC(=O)C[C@H]2S/C(=N\C3CCCC3)NC2=O)cc1 6736587 NYJQZUUNGOEVCY-CQSZACIVSA-N 347.440 2.554 30 40 EFEB Cc1ccc(C(=O)N[C@@H](C#N)c2ccc(Cl)c(Cl)c2)c(=O)[nH]1 68457091 DHVREUHKPHOEJX-ZDUSSCGKSA-N 336.178 2.985 30 40 EFEB N#CCSCC(=O)N1CCC[C@H]1[C@@H]1CCCN1Cc1ccccc1 69528113 XQTRYDASRNALLO-ROUUACIJSA-N 343.496 2.899 30 40 EFEB Cc1nc2n(n1)C[C@H](N/C(O)=N/Cc1csc3ccccc13)CC2 328822492 QSVPIVNQRNZWNN-CYBMUJFWSA-N 341.440 2.820 30 40 EFEB CN1C[C@H](NC(=O)c2cccc(CC#N)c2)CC[C@@H]1C(F)(F)F 583620117 ZOHFIKODRRCHMJ-ZIAGYGMSSA-N 325.334 2.508 30 40 EFEB C=CCOC[C@@H]1CN(C(=O)CCc2ccccc2)Cc2nccn2C1 96187857 SISVOMCXTHUZEZ-SFHVURJKSA-N 339.439 2.677 30 40 EFEB C[C@@H](OC(=O)C1CCN(c2cnccn2)CC1)c1ccc(C#N)cc1 96451153 AGKXKOREWMQGQS-CQSZACIVSA-N 336.395 2.869 30 40 EFEB Cc1ccc([C@@H]2[C@H](S(=O)(=O)c3ccc(Cl)cc3)[C@]2(N)C#N)cc1 242473340 FGUZPQFCMDISOL-IKGGRYGDSA-N 346.839 2.809 30 40 EFEB N#Cc1c(NC(=O)[C@H]2Cc3ccccc3C(=O)O2)sc2c1CCC2 32674705 MQUGAXBUSYMMCL-CQSZACIVSA-N 338.388 2.829 30 40 EFEB CC[C@@](C)(NCC(=O)NCC#Cc1ccccc1)c1nc(C)cs1 72305293 ZFPDCADTJZOHJX-LJQANCHMSA-N 341.480 2.834 30 40 EFEB CC(C)(C)c1ccc(OC[C@H]2CCN(c3ccc(C#N)cn3)C2)nn1 1888843717 XZELWTCOWHJAED-HNNXBMFYSA-N 337.427 2.946 30 40 EFEB CCCNC(=O)[C@@H](C#N)C(=O)[C@@H](C)Oc1ccccc1C(F)(F)F 100730475 QNNCAPLTGFUXDS-MNOVXSKESA-N 342.317 2.708 30 40 EFEB COc1ccc2cc([C@H](C)C(=O)ON3C(=O)CCC3=O)ccc2c1 59245756 RGQJSRAYQQBAFK-NSHDSACASA-N 327.336 2.559 30 40 EFEB CCC(C)(C)NC(=O)[C@H](C)n1c(C)nnc1-c1cccc(C#N)c1 96455281 OOVGAHLSJZMJMT-LBPRGKRZSA-N 325.416 2.991 30 40 EFEB C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)N(C)C[C@@H]1CCCN(C)C1 69948974 PMUZYQWUEJTQFV-ZIAGYGMSSA-N 348.878 2.812 30 40 EFEB CC/N=C(/NCCc1cccnc1)NC[C@@H]1CCO[C@@H]1C(C)(C)C 95963220 NTJBUEYRTPAWNI-IRXDYDNUSA-N 332.492 2.630 30 40 EFEB N#Cc1ccc(C(=O)OCc2cn(-c3ccc(Cl)cc3)nn2)nc1 84796310 DBKGYMBVNIWVTR-UHFFFAOYSA-N 339.742 2.544 30 40 EFEB CC1=CC(=O)[C@@H](C(=O)/C=C/c2cccc(OCCCC#N)c2)C(=O)O1 100700654 IMTBIWCETHGYGN-LKGOPFMKSA-N 339.347 2.597 30 40 EFEB COCCN1C(=O)C(=O)/C(=C(/O)c2cccs2)[C@@H]1c1ccccc1 102930898 MULRQEILRNYRTK-IDTYTIONSA-N 343.404 2.816 30 40 EFEB COc1cccc([C@H](C#N)NC(=O)c2cccc(CC#N)c2)c1OC 78510860 UGDNTEBNAXQEMI-INIZCTEOSA-N 335.363 2.765 30 40 EFEB COc1ccc(-c2n[nH]c(=S)n2/N=C/c2ccc(O)c(O)c2)cc1 6007005 NHUXMEHLAZKHRC-RQZCQDPDSA-N 342.380 2.910 30 40 EFEB COc1cc([C@@H](C)NC(=O)N2CCC(C#N)CC2)cc(OC)c1OC 57991670 SHPMSGJOCHPVLW-GFCCVEGCSA-N 347.415 2.719 30 40 EFEB CCCCCCCCOC(=O)CCn1[nH]c(=O)c2ccccc2c1=O 2280006 VVPJVFUFPFPCPR-UHFFFAOYSA-N 346.427 2.984 30 40 EFEB N#Cc1ccc(C(=O)OCC(=O)Nc2ccc(OC(F)F)cc2)cc1 3278636 PREZPNJCABBLBC-UHFFFAOYSA-N 346.289 2.955 30 40 EFEB CCCCc1ccc(C/C(O)=N/S(=O)(=O)c2cnn(C)c2)cc1 48676039 ZYCBGRTUFPLRBJ-UHFFFAOYSA-N 335.429 2.651 30 40 EFEB COC(=O)c1cnn2c1NC1=C(C(=O)CCC1)[C@@H]2c1ccc(F)cc1 49546829 FCKFHBDKAAFSDG-INIZCTEOSA-N 341.342 2.831 30 40 EFEB C[C@H](C(=O)Nc1ccc(C#N)cc1)n1nnc(-c2ccc(F)cc2)n1 9585380 ZVXFWYRBJRADPC-LLVKDONJSA-N 336.330 2.551 30 40 EFEB Cc1ccc(CCC(=O)NCC(=O)[C@@H](C#N)c2nc(C)cs2)cc1 71850324 NWBJYAXSANRZQF-OAHLLOKOSA-N 341.436 2.685 30 40 EFEB C#CCOc1ccc(C(=O)Nc2ccc([N+](=O)[O-])cc2OC)cc1 8570459 DENSBNOHLAXKIP-UHFFFAOYSA-N 326.308 2.868 30 40 EFEB COc1ccc([C@H]2[C@H]3CCCC[C@]3(O)CCN2CC#N)cc1OC 61931151 XIIIERLRZPQPKY-MNEFBYGVSA-N 330.428 2.895 30 40 EFEB Cc1cc(NC(=O)c2ccc(C#N)c(C)n2)ncc1Br 84114888 SGJALLQINXFIDY-UHFFFAOYSA-N 331.173 2.980 30 40 EFEB N#Cc1ccc(C(F)(F)F)nc1NCCc1nnc2n1CCCC2 97108405 YEECYDWGIVRZBB-UHFFFAOYSA-N 336.321 2.554 30 40 EFEB C#CCOc1ccc(CN2C[C@H]3CCCN3C[C@@H]2C)cc1OCC 72324602 WJPAOBOBAWJFKI-FUHWJXTLSA-N 328.456 2.766 30 40 EFEB Cc1ccc(S(=O)(=O)[C@@H]2[C@@H](C#N)[C@@H]2c2ccc3c(c2)OCO3)cc1 218166511 DJNZMLGMGAHQDY-JCGIZDLHSA-N 341.388 2.803 30 40 EFEB N#Cc1cccnc1N1CCC(CNC(=O)c2cccc(F)c2)CC1 70929039 DOJCFYQTVMUEML-UHFFFAOYSA-N 338.386 2.739 30 40 EFEB C=CCN(CC=C)C(=O)[C@H]1CCC(=O)N(C)[C@H]1c1ccc(OC)cc1 72242089 QQNODDIMAMUDNZ-HKUYNNGSSA-N 342.439 2.805 30 40 EFEB N#Cc1cccc(N[C@H]2CO[C@]3(CCN(Cc4cccs4)C3)C2)n1 96047652 GZTTUWWIPOZCAS-CRAIPNDOSA-N 340.452 2.860 30 40 EFEB CN(C/C(O)=N/S(=O)(=O)c1ccc(F)cc1)Cc1ccccc1 96485547 XNGMUANREDEYRM-UHFFFAOYSA-N 336.388 2.603 30 40 EFEB CCc1nc([C@H]2CCCN(C(=O)Nc3cccc(C#N)c3)C2)no1 69219204 QAOGJWASLUBXIF-ZDUSSCGKSA-N 325.372 2.915 30 40 EFEB N#Cc1cccc(S(=O)(=O)N(Cc2ccccc2)c2cn[nH]c2)c1 69970575 OGASRVLDSFRTJD-UHFFFAOYSA-N 338.392 2.677 30 40 EFEB N#Cc1cccc(C(=O)N2CC[C@@H](Oc3ccncc3Cl)C2)c1 575608676 ZSLMQWCGWMRUMR-CQSZACIVSA-N 327.771 2.900 30 40 EFEB C=CCSc1nc(=O)c2c(n1C)NC(=O)C[C@H]2c1ccc(C)cc1 4944606 CKWISLQKEJNGFI-ZDUSSCGKSA-N 341.436 2.841 30 40 EFEB C[C@H](C(=O)Nc1ccccc1C#N)N1CCC(N2CCCCC2)CC1 26439382 MQVCIRAGFHTVHT-MRXNPFEDSA-N 340.471 2.836 30 40 EFEB CC(C)OCc1ccccc1CNS(=O)(=O)c1cccc(C#N)c1 28043702 GDFUUOTXCJOPFR-UHFFFAOYSA-N 344.436 2.962 30 40 EFEB N#Cc1c(CCCNC(=O)c2ccccc2)nn(-c2ccccc2)c1N 2616995 FTIKQUJGQMKEMH-UHFFFAOYSA-N 345.406 2.689 30 40 EFEB C=CCNC(=O)c1ccc(C)c(S(=O)(=O)Nc2ccc(F)cc2)c1 12786386 QRIHVEWAXZDUQI-UHFFFAOYSA-N 348.399 2.851 30 40 EFEB CC/N=C1\S[C@H](CC(=O)Nc2ccccc2OCC)C(=O)N1CC 13153479 QBAZDZVNJBIYCS-MGPWXQLLSA-N 349.456 2.754 30 40 EFEB COc1cc(CO)ccc1OCC(=O)Nc1cc(Cl)ccc1C#N 6937750 KOTUSIVFLVQDDM-UHFFFAOYSA-N 346.770 2.730 30 40 EFEB N#CCCN(C(=O)[C@H]1SCCc2ccccc21)C1CCOCC1 80024812 QCVXLXHIYMBNTQ-KRWDZBQOSA-N 330.453 2.938 30 40 EFEB COc1ccccc1N1C(=O)CS/C1=N\C(=O)c1ccccc1 17859869 YTUQPACSDNTSNR-ZCXUNETKSA-N 326.377 2.971 30 40 EFEB C#CCN1CCC(C(=O)Nc2nnc(CC3CCCCC3)s2)CC1 72270979 SVGLYSUIHZRFAY-UHFFFAOYSA-N 346.500 2.945 30 40 EFEB C=CCn1c(Sc2ccc([N+](=O)[O-])cn2)nnc1-c1ccccn1 152393220 KGLMSXNDLKZKRC-UHFFFAOYSA-N 340.368 2.981 30 40 EFEB Cc1c(N[C@@H](C(N)=O)c2ccc(C#N)cc2)cnn1-c1ccccc1F 97102923 SSYVXYDDIQWHCX-GOSISDBHSA-N 349.369 2.830 30 40 EFEB Cc1cc(C)nc(-n2cc(C(=O)O[C@@H]3CCCC[C@H]3C#N)c(C)n2)n1 96442008 WCZKGLIUTSXLAJ-GOEBONIOSA-N 339.399 2.827 30 40 EFEB N#Cc1ccc([C@H](N[C@@H](C[C@H]2CCOC2)c2ccccc2)C(N)=O)cc1 390835238 HJUWSOVARRICAS-UXPWSPDFSA-N 349.434 2.842 30 40 EFEB CC/N=c1/ccc(C#N)cn1C(=O)COc1ccc(C(=O)CC)cc1 104418895 USPIVKAJOZGPDR-UZYVYHOESA-N 337.379 2.592 30 40 EFEB N#Cc1ccccc1NC(=O)C(=O)NCCc1ccc(Cl)cc1 4583624 JTVSCIAIXCDXJZ-UHFFFAOYSA-N 327.771 2.509 30 40 EFEB COc1cccc(OC/C(=N\O)c2ccc(OCC#N)cc2O)c1 20761596 WLQSMDINSRJEIX-KNTRCKAVSA-N 328.324 2.560 30 40 EFEB biogenic COC(=O)[C@H]1C(=O)C2=C(C[C@@H]1C)NC(=O)C[C@H]2c1ccc(Cl)cc1 4915838 CGHDKDJSZUBWGM-ONENECBXSA-N 347.798 2.596 30 40 EFEB CC1(C)CC(=O)C2=C(C1)Nc1nc(N)nc(N)c1[C@@H]2c1ccccc1 10339084 ZXUWNARPTCABSA-CYBMUJFWSA-N 335.411 2.842 30 40 EFEB C[C@H](NC(=O)c1ccc(-n2ncc(C#N)c2N)cc1)c1cccs1 58224937 XDTKIZRCOANPPJ-NSHDSACASA-N 337.408 2.879 30 40 EFEB O=C(/C=C/c1cccnc1)c1ccc(S(=O)(=O)N2CCCC2)cc1 12522621 VGJMZRIEWRVUHZ-BJMVGYQFSA-N 342.420 2.762 30 40 EFEB Cc1ccc(/C(O)=N/S(=O)(=O)/N=C(\O)c2ccc(C)cc2)cc1 28294070 CJDHNQQABIQXQL-UHFFFAOYSA-N 332.381 2.858 30 40 EFEB C#Cc1cccc(NC(=O)NC2CCN(CCc3ccncc3)CC2)c1 65607665 CYJYMKBPKVALGE-UHFFFAOYSA-N 348.450 2.892 30 40 EFEB Cc1ccc(-c2nc(C#N)c(NCCCN3CCOCC3)o2)cc1 19862946 MXVMCPVLPKFUEG-UHFFFAOYSA-N 326.400 2.656 30 40 EFEB Cc1csc([C@@H](C#N)C(=O)[C@H]2CCCN(C(=O)C(C)(C)C)C2)n1 71803519 FZFGWQPYVGMHDW-STQMWFEESA-N 333.457 2.913 30 40 EFEB N#Cc1cccnc1NC[C@@H](c1cccc(F)c1)N1CCOCC1 71833173 NOYNVRWFUNNRAK-KRWDZBQOSA-N 326.375 2.578 30 40 EFEB Cc1nn2c(ncc3c(=O)n(CCS)ccc32)c1-c1ccccc1 40387976 WQZWIKPJTCHFJN-UHFFFAOYSA-N 336.420 2.949 30 40 EFEB C#CCCC1(CCC(=O)N[C@H](C(=O)O)c2cc(C)c(O)c(C)c2)N=N1 1616030539 CMJIABAFMDAIDG-HNNXBMFYSA-N 343.383 2.607 30 40 EFEB N#CC1(C#N)[C@H](c2ccncc2)O[C@@]23CCCC[C@H]2[C@]1(C#N)C(=N)O3 5054287 KPADPFKCWHSRJR-LBTBCDHLSA-N 333.351 2.590 30 40 EFEB COc1cc([N+](=O)[O-])c(OC)cc1/C=N/Nc1ccc([N+](=O)[O-])cc1 5675333 GJCWZBYTIMZBLP-CXUHLZMHSA-N 346.299 2.966 30 40 EFEB Cc1c(/N=N/c2ccc(Cl)cc2)c(O)n(CCO)c(=O)c1C#N 4649334 JNFUYIZOIYYFNK-VHEBQXMUSA-N 332.747 2.795 30 40 EFEB N#Cc1cccc(C(=O)N2CC[C@@H](n3cc(-c4ccccc4)nn3)C2)c1 217655014 GLOHAMLDRRCTRB-GOSISDBHSA-N 343.390 2.904 30 40 EFEB CC(C)OCCCNC(=O)[C@H](C#N)C(=O)C[C@H](C)c1ccccc1F 100705843 UDQQDRBVPQQGJD-GOEBONIOSA-N 348.418 2.959 30 40 EFEB C[C@H](Oc1ccccc1C#N)C(=O)Nc1cccnc1N1CCCC1 40553159 QHJPDNSEFMXXJJ-AWEZNQCLSA-N 336.395 2.959 30 40 EFEB C[C@@H]1S/C(=N/S(=O)(=O)c2ccccc2)N(c2ccccc2)C1=O 101219063 UHCCWHDHPJMXGY-ZFHSLQLHSA-N 346.433 2.900 30 40 EFEB CO/N=C/Nc1nc2nccc([C@@H](C)Oc3cccc(C)c3)n2n1 3134403 SQQBPGSAEPIFNI-GFCCVEGCSA-N 326.360 2.574 30 40 EFEB COc1ccc2ccccc2c1/C=N/N1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 104626075 SQTZQACLJCCSRC-FYHYWYESSA-N 346.386 2.989 30 40 EFEB N#Cc1cc([N+](=O)[O-])cn(Cc2csc(Br)c2)c1=O 47369221 QKFUZZXFCBRNMR-UHFFFAOYSA-N 340.158 2.500 30 40 EFEB Cc1ccc(S(=O)(=O)N/N=C2\C[C@@H]3[C@@H]4C[C@@H]5[C@H]3CC[C@H]5[C@@H]24)cc1 104061191 AOWJDZNASUGJOG-CYGBJNPMSA-N 330.453 2.941 30 40 EFEB Cc1cccc(OCC(=O)N[C@@H](C#N)c2cnn(-c3ccccc3)c2)c1 65531410 LDZABRWVWYZDLT-IBGZPJMESA-N 346.390 2.941 30 40 EFEB CC[C@](C)(O)CNC(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1 66159442 MINIDQXKSRBANV-AWEZNQCLSA-N 345.321 2.782 30 40 EFEB CCC(=O)N[C@H](C(=O)N(C)Cc1ccc(C#N)cc1)c1ccccc1 66610563 ZMKUDMRJIGSTOY-IBGZPJMESA-N 335.407 2.784 30 40 EFEB C#Cc1cccc(N(C)C(=O)C(=O)NCCc2ccc(Cl)cc2)c1 69440265 ZMHIKRFMDXQZQU-UHFFFAOYSA-N 340.810 2.643 30 40 EFEB Cn1ccnc1[C@](O)(CCNc1ccc(C#N)cc1F)C(F)(F)F 69514500 QNEKDPCIXWBZOU-CQSZACIVSA-N 342.296 2.683 30 40 EFEB c1ccc(C/N=C(\NCC[C@H]2CCCO2)NCc2ccccn2)cc1 75583255 SYAZECUSDHTSKP-LJQANCHMSA-N 338.455 2.886 30 40 EFEB N#Cc1cccnc1NC[C@H]1CCN(c2ncnc3sccc23)C1 65475328 PFCFPHWNMAUEQS-GFCCVEGCSA-N 336.424 2.896 30 40 EFEB CCCO[C@@H]1CCCN(S(=O)(=O)c2cccc(F)c2C#N)CC1 96427964 YTDQQXSSIUUJHG-CYBMUJFWSA-N 340.420 2.667 30 40 EFEB N#CCCN(Cc1ccccn1)C(=O)Nc1ccc(-n2ccnn2)cc1 96474142 ZBVVEGMFYSTVIJ-UHFFFAOYSA-N 347.382 2.610 30 40 EFEB N#Cc1cccc(NS(=O)(=O)c2cnn(-c3ccccc3F)c2)c1 78234942 MERBKAGQCHGVQX-UHFFFAOYSA-N 342.355 2.684 30 40 EFEB C/N=C1/S[C@@H](CC(=O)Nc2cccc3ccccc23)C(=O)N1C 12624257 ZOTZOKJSBDKOAG-YWMAMYRUSA-N 327.409 2.728 30 40 EFEB CC1=C/C(=N\OS(=O)(=O)c2ccc(Cl)cc2)C(C)=CC1=O 16779865 LUROPQJSAWPJNO-DTQAZKPQSA-N 325.773 2.877 30 40 EFEB Cc1cc(C(=O)[C@H](C#N)C(=O)c2nccn2C)c2ccc(F)cc2n1 102053271 KGGJSFJOKSTKOZ-AWEZNQCLSA-N 336.326 2.621 30 40 EFEB C/C(O)=C1\C(=O)C(=O)N(Cc2cccnc2)[C@@H]1c1ccc(F)cc1 102439451 HYVNDSXXRGYHRH-RBFDBLARSA-N 326.327 2.705 30 40 EFEB N#Cc1ccnc(N2CCN(Cc3cc(F)cc4cccnc34)CC2)c1 25941273 ICIKCLZROSYIRC-UHFFFAOYSA-N 347.397 2.963 30 40 EFEB O=C(/C=C/Nc1ccc2c(c1)OCCO2)c1ccc2c(c1)OCO2 44842482 NRKRXBDIAOKVBG-AATRIKPKSA-N 325.320 2.995 30 40 EFEB C[C@@H](CC#N)Sc1ccccc1NC(=O)CN1CCC(CO)CC1 95953651 DCIUFNBDPQVSDA-AWEZNQCLSA-N 347.484 2.724 30 40 EFEB CONC(=O)c1cn(CCC#N)nc1-c1cccc(Br)c1 65501822 JHBNJBGTLQMUHN-UHFFFAOYSA-N 349.188 2.517 30 40 EFEB CN(CC1CCCCC1)C(=O)c1ccc(-n2ncc(C#N)c2N)cc1 65603507 UWNFQVZPVZERPY-UHFFFAOYSA-N 337.427 2.978 30 40 EFEB Cc1nnc(N2CCC[C@H](C(=O)NC3CCCCC3)C2)c(C#N)c1C 65946215 PZPRBDRFUULCGA-HNNXBMFYSA-N 341.459 2.630 30 40 EFEB COc1cc(NC(=O)COc2ccccc2C#N)c(C)cc1[N+](=O)[O-] 4847011 HLKDRQKCGDDNPJ-UHFFFAOYSA-N 341.323 2.801 30 40 EFEB CC(C)n1ccc(/C(O)=N/S(=O)(=O)Cc2ccccc2Cl)n1 83791845 MZXFJCDHUNPAPH-UHFFFAOYSA-N 341.820 2.952 30 40 EFEB CCc1c(C)sc(NC(=O)CCn2cc([N+](=O)[O-])cn2)c1C#N 68677016 XZYBGPNSSSTRAU-UHFFFAOYSA-N 333.373 2.624 30 40 EFEB COc1ccc(CN/N=C/c2ccc(OC)c([N+](=O)[O-])c2)cc1OC 20195966 PQVJQZSJGGOZTR-VCHYOVAHSA-N 345.355 2.744 30 40 EFEB C/N=C1/S/C(=C/c2cc(OC)c(OC)cc2Cl)C(=O)N1C 408930234 ULVVORPDBCCESP-VQGSKFNHSA-N 326.805 2.889 30 40 EFEB C[C@]12CC[C@H]3[C@@H](C[C@H](O)C4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2C(=O)CO 34164802 NCYJPPVFCXZXCE-LRGKAQELSA-N 346.467 2.667 30 40 EFEB C=CCOc1ccccc1/C=C1/SC(=S)N([C@H](C)C(=O)O)C1=O 32708005 NREPEKPAWJSBJE-QQMDNXKGSA-N 349.433 2.926 30 40 EFEB CCO[C@H]1C[C@H](NC2CCN(c3ccc(C#N)cn3)CC2)C1(C)C 96493388 YSUPNIFPKXLKQB-IRXDYDNUSA-N 328.460 2.715 30 40 EFEB O=S(=O)(/N=C(\O)CC[C@@H]1CCCCO1)c1ccc(F)c(F)c1 95395375 YXDLTMVLLXCBNZ-JTQLQIEISA-N 333.356 2.959 30 40 EFEB C=CCOC[C@@H]1C[C@H]2OCCN(Cc3ccc4c(c3)OCO4)[C@@H]2C1 96082746 WZSSLRDHKPLYIB-LZLYRXPVSA-N 331.412 2.597 30 40 EFEB CC(C)Cn1ncc(/C(O)=N/S(=O)(=O)CC2CCC2)c1C(F)F 95443411 CANYGSLIPDADIM-UHFFFAOYSA-N 349.403 2.911 30 40 EFEB N#C[C@@H](C(=O)Cn1cccn1)c1cccc(OC(F)(F)Cl)c1 255189929 TUQRYSGZGZAFNX-GFCCVEGCSA-N 325.702 2.927 30 40 EFEB CO[C@]1(c2nnc(COc3c(C)cc(Cl)cc3C#N)o2)CCOC1 591600043 FSDQHQHLSVEVFW-MRXNPFEDSA-N 349.774 2.744 30 40 EFEB CC(C)[C@@H](C#N)NC(=O)[C@@H]1Cc2ccccc2O[C@H]1C(F)(F)F 602298696 LVAAQGCKPAAVHN-YRGRVCCFSA-N 326.318 2.833 30 40 EFEB N#Cc1ccc(S(=O)(=O)N2CCCc3cc(F)cc(F)c32)cc1 40082756 DVAGETRWUDRQEF-UHFFFAOYSA-N 334.347 2.978 30 40 EFEB CC[C@@H]1CC[C@H](C)N1C(=O)CCc1c(C)nc2c(C#N)cnn2c1C 95459203 AOBFEPPFODMEAW-BLLLJJGKSA-N 339.443 2.940 30 40 EFEB COc1ccc(-c2noc(COC(=O)c3ccc(C#N)cc3)n2)cc1 8499549 AKTXBCSUIIQCSX-UHFFFAOYSA-N 335.319 2.974 30 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2.973 30 40 EFEB N#Cc1ccc(CN2CCCC[C@@H]2CC(N)=O)c(Br)c1 97232392 BTLRTEKKBBAFLT-CYBMUJFWSA-N 336.233 2.551 30 40 EFEB C=CCN1CCC(Nc2ccc(S(=O)(=O)C(C)(C)C)nc2)CC1 89694374 KANABEGYGWCWME-UHFFFAOYSA-N 337.489 2.716 30 40 EFEB C[C@@H](NC(=O)c1ccc(C#N)cn1)c1ccc(-c2cncnc2)cc1 73251890 DXZGNRYHWWJORW-CYBMUJFWSA-N 329.363 2.901 30 40 EFEB N#C[C@]1(N)[C@H](c2ccc(Cl)cc2)[C@@H]1S(=O)(=O)c1ccccc1 218430883 SEXBEOZDBGOYQP-PMPSAXMXSA-N 332.812 2.501 30 40 EFEB C[C@@H]1CCCC[C@H]1OCCNS(=O)(=O)Cc1cccc(C#N)c1 79269013 RGPIONXSEOUKLR-RHSMWYFYSA-N 336.457 2.573 30 40 EFEB C=CCSc1nc(N)c(C#N)c(COc2ccc(OC)cc2)n1 223694645 FCAKGBSWZSDJOW-UHFFFAOYSA-N 328.397 2.796 30 40 EFEB CCc1ccc([C@@H]2[C@@H](S(=O)(=O)c3ccccc3)[C@@]2(C#N)C=O)cc1 225661031 FFZBHABZJUTCEQ-QRVBRYPASA-N 339.416 2.898 30 40 EFEB COc1ccc(Br)cc1CS(=O)(=O)CCCC#N 195579458 BXZFTVGCOQPWLI-UHFFFAOYSA-N 332.219 2.676 30 40 EFEB N#CCCN(CC(F)(F)F)S(=O)(=O)c1cccc2cnccc12 192126578 SNFUWLGTBJJHMM-UHFFFAOYSA-N 343.330 2.701 30 40 EFEB 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CCCC/N=C(\NCCCC)NCc1nc([C@@H](C)OCC)no1 78953658 SRKBGQRCSMOKGL-CYBMUJFWSA-N 325.457 2.803 30 40 EFEB COCc1cccc(C(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)c1 79310009 ZNUPAFAOSIXTFA-HXUWFJFHSA-N 349.434 2.683 30 40 EFEB N#Cc1c(NC(=O)COC(=O)c2ccccn2)sc2c1CCCC2 3563340 CFMLEYLFDBCRHP-UHFFFAOYSA-N 341.392 2.689 30 40 EFEB C#Cc1cccc(NCC(=O)Nc2cc(OC)c(OC)c(OC)c2)c1 12527231 JKKFMVHUSVKSNS-UHFFFAOYSA-N 340.379 2.744 30 40 EFEB N#Cc1ccccc1/C=C/C(=O)N1CCC[C@H]1c1nnc2ccccn12 44891982 KAJNPHNMSYTUBF-DVQDXYAYSA-N 343.390 2.978 30 40 EFEB C=C1[C@@H]2C[C@H](O)[C@H]3[C@](CC[C@H]4[C@@](C)(C(=O)O)CCC[C@@]43C)(C2)[C@H]1O 100145218 VRVOLALMVUEAHP-NSJLZPGHSA-N 334.456 2.982 30 40 EFEB N#Cc1cc(S(N)(=O)=O)ccc1N1CCC[C@]2(CC=CCC2)C1 95403241 LRZNQHDMLARWJV-QGZVFWFLSA-N 331.441 2.532 30 40 EFEB Cc1noc(C)c1C(=O)N1CCCN(Cc2ccc(C#N)cc2)CC1 29985072 CSAIGEXKSFIYSP-UHFFFAOYSA-N 338.411 2.511 30 40 EFEB CC(C)(C)c1ccc(C(=O)Oc2cccc(/C=N/N=C(N)N)c2)cc1 59399014 ZUDGOQWRUPJIGW-WSDLNYQXSA-N 338.411 2.811 30 40 EFEB C=CCn1c(S[C@H]2CCOC2=O)nc2scc(C3CC3)c2c1=O 3448833 TUTOTIUSRKDSNY-NSHDSACASA-N 348.449 2.929 30 40 EFEB C=CCn1c(O)c(C(=O)NCc2ccccc2)c(=O)c2ccccc21 6492934 BSSYTCLQNLMRSN-UHFFFAOYSA-N 334.375 2.823 30 40 EFEB CNC(=O)CN1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@@H]1C 9483201 MMIYGIBJBKEQRT-LBPRGKRZSA-N 327.428 2.696 30 40 EFEB C=CCSc1nc2c(c(=O)[nH]1)[C@H](c1ccc(F)cc1)CC(=O)N2 4944201 CMGQNKLOTSNIKO-NSHDSACASA-N 331.372 2.661 30 40 EFEB COC(=O)c1ccc(/C=C/C(=O)c2ccc3c(c2)NC(=O)CO3)cc1 7333671 POPHXZOQMVVTAS-XBXARRHUSA-N 337.331 2.700 30 40 EFEB COCCOc1cccc(C(=O)N[C@H](C#N)c2ccc(F)cc2F)c1 68419143 FZLVSAHBAYTIQP-QGZVFWFLSA-N 346.333 2.985 30 40 EFEB C=CCN(C(=O)c1ccc(C(=O)O)cn1)c1nc2c(s1)CCCC2 1548454029 WYEOHNCOKSVMOW-UHFFFAOYSA-N 343.408 2.948 30 40 EFEB Cc1ccn(C[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)c(=O)c1C#N 195565880 OGHSILSJXHECBD-AWEZNQCLSA-N 331.416 2.676 30 40 EFEB C=C(C)CN1CCC(NC(=O)NC[C@H](C)Oc2ccccc2F)CC1 96439934 DWQPDQYYNXREBA-HNNXBMFYSA-N 349.450 2.933 30 40 EFEB C#CCCC1(CCC(=O)Nc2cn(-c3cccc(OC)c3)nn2)N=N1 1615000586 VTCSJKJUYNZLRZ-UHFFFAOYSA-N 338.371 2.570 30 40 EFEB Cc1cc2c(NC(=O)Cc3ccc4c(c3)COC4)n[nH]c2cc1C#N 1628458399 KPQVMPGMDZTODQ-UHFFFAOYSA-N 332.363 2.954 30 40 EFEB N#Cc1ccc(C(=O)N2CCCSC[C@@H]2CN2CCCC2)cc1 85473205 NWXRVFCSNGCMGT-KRWDZBQOSA-N 329.469 2.602 30 40 EFEB O=c1[nH]c2ccc(/N=C/c3cc(Cl)cc([N+](=O)[O-])c3O)cc2[nH]1 3241515 PGORHPOLPFBCDG-OMCISZLKSA-N 332.703 2.874 30 40 EFEB CCC(=O)OCOc1ccc(/C=C2/CC[C@H](CN(C)C)C2=O)cc1 16957533 SMDDTKYJMPEYDY-UVQBRAAOSA-N 331.412 2.900 30 40 EFEB O=C(Nc1cccc(F)c1)[C@H]1CCCN1/C=C/C(=O)C(F)(F)F 4119684 WAXCEXFQFXYQFV-WAFBPQNNSA-N 330.281 2.874 30 40 EFEB N#Cc1ccc(Cl)cc1NC(=O)COc1cccnc1[N+](=O)[O-] 12533720 MERUVTPDTPJSIY-UHFFFAOYSA-N 332.703 2.532 30 40 EFEB COC(=O)[C@H]1C(=O)C2=C(C[C@H]1C)NC(=O)C[C@@H]2c1ccc(Cl)cc1 4915839 CGHDKDJSZUBWGM-DDHOLCJHSA-N 347.798 2.596 30 40 EFEB C[C@@H](Nc1ccn(CC(F)(F)F)n1)C(=O)NC1(C#N)CCCCC1 97148569 PXIZJWJNSDPLIA-LLVKDONJSA-N 343.353 2.588 30 40 EFEB C=CCN(Cc1ccccc1F)C(=O)C1CCN(C(=O)C2CC2)CC1 58209265 ZOMNTWBDTSJMBL-UHFFFAOYSA-N 344.430 2.989 30 40 EFEB CC(=O)NCCCCC/C(O)=N/S(=O)(=O)c1cc(C)ccc1C 48471869 UTODRAMWTRVXGP-UHFFFAOYSA-N 340.445 2.645 30 40 EFEB CC(C)N(Cc1ccc(C#N)cc1)C(=O)CNC(=O)CC(C)(C)C 63667832 DPFQTMJAGZETAK-UHFFFAOYSA-N 329.444 2.848 30 40 EFEB N#CCCn1ccc(NC(=O)[C@@H](O)c2cc(Cl)cc(Cl)c2)n1 95450473 LDLSTBAEKWNGPL-ZDUSSCGKSA-N 339.182 2.776 30 40 EFEB Cc1cnn(C[C@@H]2CCCCN2C(=O)COc2ccc(C#N)cc2)c1 71865637 HEUINDKIJCZRKT-KRWDZBQOSA-N 338.411 2.523 30 40 EFEB N#Cc1ccc(S(=O)(=O)Nc2nnc(-c3ccsc3)s2)cc1 89781012 WYSICPSDPLDZNI-UHFFFAOYSA-N 348.434 2.939 30 40 EFEB COCc1nc(C)cc(N2CCC(Oc3ccc(C#N)cc3)CC2)n1 75049559 ZIZQHPXDIQVHND-UHFFFAOYSA-N 338.411 2.851 30 40 EFEB O=C(Nc1cnccn1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 97941863 XNGLOHATRSTPCV-UHFFFAOYSA-N 341.133 2.883 30 40 EFEB C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N1CCO[C@H](Cc2ccccc2)C1 280609843 AEBBKTCEMQIFLK-QRVBRYPASA-N 344.455 2.621 30 40 EFEB CCCCCCCn1c(=O)c2c(nc3oc(C)c(C)n32)n(C)c1=O 96021403 XASAHVDIVRZHTD-UHFFFAOYSA-N 332.404 2.528 30 40 EFEB C=CC[C@H](C(=O)N(C)CCc1nc(O)c(C)c(O)n1)c1ccccc1 1616032828 UHHPDIFRHUVCNZ-HNNXBMFYSA-N 341.411 2.557 30 40 EFEB N#Cc1cc2c(nc1N1CCC[C@@H](COc3ncccn3)C1)CCCC2 1776000737 HWHTWSCXLIZQDG-OAHLLOKOSA-N 349.438 2.917 30 40 EFEB CC/N=C1\NC(=O)[C@H](CC(=O)Nc2cc(Cl)ccc2Cl)S1 16577115 SBHZUGFZEWOPJZ-JTQLQIEISA-N 346.239 2.930 30 40 EFEB Cc1ccnc(OC[C@]23CCC[C@H]2CN(c2ccc(C#N)nc2)C3)n1 1888866959 IQCMWYVSHFCGHI-HNAYVOBHSA-N 335.411 2.737 30 40 EFEB COc1cc(/C(C)=N\N2CCN(Cc3ccccc3)CC2)ccc1O 20080661 VDQZGKORPAECSE-PGMHBOJBSA-N 339.439 2.943 30 40 EFEB COc1ccc2c(c1)CCC[C@H]2CC(=O)[C@H](C#N)C(=O)NC(C)C 103270744 PXRCGIKGUVRJMH-YOEHRIQHSA-N 328.412 2.739 30 40 EFEB N#Cc1c(N2C(=O)[C@@H]3[C@H]4CC[C@H](O4)[C@@H]3C2=O)sc2c1CCCCC2 2755181 VRJFXZRIQGZEKB-CUFDPUGPSA-N 342.420 2.555 30 40 EFEB CC(=O)Nc1ccc(Cl)cc1NCC(=O)NC1(C#N)CCCC1 58184777 ZTIJNBWACXHDLB-UHFFFAOYSA-N 334.807 2.663 30 40 EFEB N#CCCNC(=O)CSc1nnc(Nc2ccccc2F)s1 9509160 XDKUNCFIPCZWJR-UHFFFAOYSA-N 337.405 2.543 30 40 EFEB COc1ccc(-c2n[nH]c(NC(=O)c3ccc(C#N)cc3)n2)c(OC)c1 58265543 NDPWZMCCSNAPAU-UHFFFAOYSA-N 349.350 2.613 30 40 EFEB C[C@@H](NC(=O)N1CCN(c2nccs2)CC1)c1ccc(C#N)cc1 44971411 OZKRBQGKWFRMRC-CYBMUJFWSA-N 341.440 2.608 30 40 EFEB CCN(CC(=O)Nc1sccc1C#N)Cc1ccc2c(c1)OCO2 11364628 XHMIMZOVGBWVRK-UHFFFAOYSA-N 343.408 2.809 30 40 EFEB O=S(=O)(O[C@H]1CC[C@@H]2CC[C@@H]1O2)c1ccc(Br)cc1 104188293 HYWZHBGDFNKYQP-DRZSPHRISA-N 347.230 2.864 30 40 EFEB CCCCCNC(=O)[C@H](C#N)C(=O)[C@@H]1C[C@@]12CCOc1ccccc12 95404923 VXWPQJWBQIVFCZ-PTSWNOGYSA-N 340.423 2.742 30 40 EFEB N#Cc1cccc(NC(=O)CSc2nnc(-c3ccco3)o2)c1 3376515 AUUWDCQPRDCKEZ-UHFFFAOYSA-N 326.337 2.932 30 40 EFEB Cc1cc(C)nc(N/N=C/c2ccc(I)o2)n1 4154588 SNNWMJLMBBYMNF-AWNIVKPZSA-N 342.140 2.737 30 40 EFEB N#Cc1ccc(NC[C@H]2CCN(c3ncnc4ccccc34)C2)nc1 65474450 YFIRMKNPIBFXOM-OAHLLOKOSA-N 330.395 2.835 30 40 EFEB N#CC1(NC(=O)c2ccc3c(c2)C[C@H](c2ccccc2)OC3=O)CC1 96414453 GXLLYDJHKIWYJB-QGZVFWFLSA-N 332.359 2.927 30 40 EFEB C=CCN1CNc2c(c(=O)[nH]c(=S)n2-c2cccc(C)c2C)C1 19939129 HFSOIIWJPOXFBX-UHFFFAOYSA-N 328.441 2.883 30 40 EFEB C=CCN(CC=C)C(=O)C(=O)c1cc(Br)ccc1OC 71186238 YUIXKKOTJQQHRG-UHFFFAOYSA-N 338.201 2.841 30 40 EFEB Cc1ccn(Cc2ccn(-c3c(F)cccc3F)n2)c(=O)c1C#N 97114916 YGMYQZACTMGYAR-UHFFFAOYSA-N 326.306 2.541 30 40 EFEB C=CCOc1ccc(Br)cc1[C@H]1N[C@@H](C(=O)O)CS1 408816412 LMOHLNXFNFVKQP-PWSUYJOCSA-N 344.230 2.802 30 40 EFEB C[C@@H]1CC[C@@H](C)N1CCN1CCN(Cc2cccc(C#N)c2)CC1 69982847 KTTXVZPKVBOCLW-QZTJIDSGSA-N 326.488 2.549 30 40 EFEB COc1ccccc1[C@H](C)NC(=O)CSc1cc(C#N)ccn1 77907600 AJAVFTCBQQTOCG-LBPRGKRZSA-N 327.409 2.931 30 40 EFEB CO[C@]1(C(O)=Nc2nc(CN3CCC[C@H](C)C3)cs2)CCOC1 330015770 ONMVHWITQNSJSY-BLLLJJGKSA-N 339.461 2.769 30 40 EFEB CC/N=C(/NCc1csc(N(C)C)n1)NCc1sccc1C 97227626 OJDSHUKDZZDPRF-UHFFFAOYSA-N 337.518 2.834 30 40 EFEB CC[C@H](C)c1ccc(S(=O)(=O)NCC2CCN(CC#N)CC2)cc1 79108265 JIUDRCICUQFPMU-HNNXBMFYSA-N 349.500 2.714 30 40 EFEB CSc1nc2n(n1)[C@H](c1cccc(O)c1)C1=C(C[C@H](C)CC1=O)N2 14165069 CLJFBMGSKJUARJ-BJOHPYRUSA-N 342.424 2.974 30 40 EFEB C=CCN1C(=O)c2ccc(C(=O)Nc3nc4ccccc4[nH]3)cc2C1=O 7738390 HXQKJZLKMPTBMO-UHFFFAOYSA-N 346.346 2.597 30 40 EFEB C=CCN(CC(F)(F)F)C(=O)Cc1cc(OC)c(OC)c(OC)c1 58424035 VJFWGBRHSODUCX-UHFFFAOYSA-N 347.333 2.832 30 40 EFEB C[C@H](OC(=O)c1ccccc1Sc1ccccc1C#N)C(N)=O 3450684 NUQMIMICIWRBPE-NSHDSACASA-N 326.377 2.740 30 40 EFEB CC(C)Oc1cncc(C(=O)[C@H](C#N)c2nnc3n2CCCCC3)c1 93245315 JGUROMRNTJYTFQ-HNNXBMFYSA-N 339.399 2.677 30 40 EFEB C=CCN(Cc1nc(O)c2cnn(C)c2n1)[C@H]1CCc2ccccc21 65422333 SBSSFPVLODEGHZ-INIZCTEOSA-N 335.411 2.744 30 40 EFEB N#Cc1ccc(NC[C@@H]2CCN(c3nccc(C(F)(F)F)n3)C2)nc1 65464654 VHMYVXRRJUQAFK-LBPRGKRZSA-N 348.332 2.700 30 40 EFEB N#C[C@H](c1ccccc1)[C@@H]1CCCN1S(=O)(=O)CC[C@@H]1CCCO1 97015041 SMZCDDMTOJBZRA-KSZLIROESA-N 348.468 2.657 30 40 EFEB C#Cc1cccc(NC(=S)NC[C@H]2CCN(CC(F)(F)F)C2)c1 72282635 VJZBDSLMYNXMSM-CYBMUJFWSA-N 341.402 2.839 30 40 EFEB COc1ccc(CN2C(=O)/C(=N/O)c3cc(C)ccc32)cc1OC 95947753 BLEQJZFVIDOGIN-HTXNQAPBSA-N 326.352 2.737 30 40 EFEB N#Cc1ccc(S(=O)(=O)Nc2cccc3nc[nH]c23)c(Cl)c1 95941014 MNSPWYWOOKUCTM-UHFFFAOYSA-N 332.772 2.889 30 40 EFEB CCOc1cc([C@H]2[C@H](C#N)C(=O)Nc3nc4ccccc4n32)ccc1O 20637942 PGKZUWPVVJZJDR-SJCJKPOMSA-N 348.362 2.822 30 40 EFEB Cc1ccc(/N=C/[C@@H]2C(=O)NC(=S)N(c3ccccc3)C2=O)cc1 408742220 VHVSSZYOCNLUOM-SKCQWOFPSA-N 337.404 2.761 30 40 EFEB N#C[C@]1(N)[C@H](c2cccc(Cl)c2)[C@@H]1S(=O)(=O)c1ccccc1 218427881 AOZAZCCRJDQADV-PMPSAXMXSA-N 332.812 2.501 30 40 EFEB Cc1ccc(S(=O)(=O)[C@H]2[C@H](c3cccc(Cl)c3)[C@@]2(N)C#N)cc1 218429417 ZCRDMPIUWDAAEE-ULQDDVLXSA-N 346.839 2.809 30 40 EFEB C[C@H](NC(=O)CC#N)c1nc(-c2ccc(Br)cc2)no1 195567555 ZSOZCPJLZADHCD-QMMMGPOBSA-N 335.161 2.590 30 40 EFEB N#CCN1CCC[C@H]1c1cccc(Nc2nc(C(=O)O)cs2)n1 585289048 MRZRYHZWMRPVCR-LBPRGKRZSA-N 329.385 2.640 30 40 EFEB N#Cc1cc(F)c(C(F)(F)F)cc1N1CCC2(CC1)COC(=O)N2 1548514331 BFTMENYKVFLTEH-UHFFFAOYSA-N 343.280 2.795 30 40 EFEB C/N=C1\S[C@@H](CC(=O)Nc2cc(Cl)cc(Cl)c2)C(=O)N1C 17084368 QIZMBWYHLFUBCH-VQZCRYCJSA-N 346.239 2.882 30 40 EFEB CN(/N=C/Cc1nnnn1-c1ccc(Cl)cc1)c1ccccc1 4321544 CBSRWMZQNFNZDQ-LDADJPATSA-N 326.791 2.980 30 40 EFEB Cc1cc([C@H]2CCCN2C(=O)COc2ccc(CC#N)cc2)on1 53310228 FZXJONWMTMGYQF-MRXNPFEDSA-N 325.368 2.792 30 40 EFEB C#CCNC(=O)CSc1nnc(-c2ccccc2)n1[C@@H](C)CC 58201483 YKZJBUZQGYDLRS-ZDUSSCGKSA-N 328.441 2.758 30 40 EFEB COc1ccc(OC)c2c1CN(c1c(F)cc(C#N)cc1F)C[C@H]2O 58201762 OPLUHXMAPSJCPL-CQSZACIVSA-N 346.333 2.907 30 40 EFEB C#CCN(CC#C)C(=O)c1cc2sc(N(CC)CC)nc2s1 72304673 KXVHCMVULDZPRJ-UHFFFAOYSA-N 331.466 2.913 30 40 EFEB N#Cc1ccc(S(=O)(=O)N2CCOCC23CCCC3)c(Cl)c1 96002018 UCVFAHIULTTXHY-UHFFFAOYSA-N 340.832 2.545 30 40 EFEB N/C(=N/Cc1ccco1)SCc1cc([N+](=O)[O-])cc2c1OCOC2 19672926 UHYJXHTXSCZISM-UHFFFAOYSA-N 349.368 2.802 30 40 EFEB Cc1nn(C)c(C)c1NC(=O)[C@@H](C)Oc1ccc(C#N)cc1Cl 7858064 LMPZRWXSONPJET-LLVKDONJSA-N 332.791 2.968 30 40 EFEB Cc1ccc(NC2CCN(CC(=O)NC3(C#N)CCCC3)CC2)cc1 69621630 VZEZFSKMUXVPFX-UHFFFAOYSA-N 340.471 2.824 30 40 EFEB C[C@H](NC(=O)CNC(=O)c1ccc(C#N)cc1)c1cc2ccccc2o1 69812052 UFWVLTVAFLHRLA-ZDUSSCGKSA-N 347.374 2.912 30 40 EFEB CCc1nn(Cc2nc(C)c3ccccc3n2)c(=O)c(C#N)c1CC 89282596 YUQDQACXOYXYJG-UHFFFAOYSA-N 333.395 2.540 30 40 EFEB O=C1[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C[C@H]34)[C@H]2C(=O)N1/N=C/c1cccc(Cl)c1 409084345 VGPOULNINBBTGE-NJQYJPLRSA-N 326.783 2.727 30 40 EFEB N#Cc1ccnc(N2CCN(C/C=C/c3ccccc3)CC2)c1[N+](=O)[O-] 96472146 HGTPKLYQOHSCKD-QPJJXVBHSA-N 349.394 2.697 30 40 EFEB CN1CC[C@@H](COCC2CC2)CC12CN(Cc1ccccc1C#N)C2 248135967 OPJLLTWOMAWALC-GOSISDBHSA-N 339.483 2.881 30 40 EFEB CCC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(CC#N)cc2)cc1 64475549 HOUPRIZIQORRKV-UHFFFAOYSA-N 343.408 2.902 30 40 EFEB N#Cc1ccccc1N1CCCN(C(=O)[C@H]2CCc3cccnc32)CC1 591815775 UNCTVEIJSDQTPR-SFHVURJKSA-N 346.434 2.722 30 40 EFEB CCOC(=O)/C(C#N)=N/Nc1cccc(C(=O)Nc2ccccc2)c1 3096746 PVUMRBDOKXBYQN-CJLVFECKSA-N 336.351 2.793 30 40 EFEB COc1cc(/C=N/NC(N)=S)ccc1OCc1ccccc1F 6090312 VBXPFLJOUQSNSN-DJKKODMXSA-N 333.388 2.580 30 40 EFEB CCN(CC(=O)NCc1ccc(F)cc1)Cc1ccc(C#N)cc1 15295697 NXJIHJMDTMUSGF-UHFFFAOYSA-N 325.387 2.836 30 40 EFEB N#Cc1ccc(N2C[C@H]3CN(c4ncnc5ccsc45)C[C@@H]3C2)nc1 1888897229 VJCZIIWCUWVZMW-KBPBESRZSA-N 348.435 2.531 30 40 EFEB CCn1cc(C(=O)[C@H](C#N)C(=O)Nc2cc(Cl)ccc2C)cn1 101137850 QRNNTCFQRDEIEU-ZDUSSCGKSA-N 330.775 2.826 30 40 EFEB N#Cc1c(N2C(=O)[C@H]3[C@H](C2=O)[C@H]2CC[C@H]3O2)sc2c1CCCCC2 102243315 VRJFXZRIQGZEKB-QHSBEEBCSA-N 342.420 2.555 30 40 EFEB C=CCN(CC=C)[C@H](CNc1nn2c(=O)cc(C)nc2s1)C(C)C 23185320 ZNIYYZKLUZDREL-CQSZACIVSA-N 347.488 2.570 30 40 EFEB N#Cc1ccc(OCCOC(=O)CCc2ccc3c(c2)OCO3)cc1 12451129 QRFGYBHAMQUFDS-UHFFFAOYSA-N 339.347 2.842 30 40 EFEB COc1cccc([C@H]2[C@H](C#N)C(=O)Nc3nc4ccccc4n32)c1OC 20637890 HQGXUJFOTLFFHT-LRDDRELGSA-N 348.362 2.735 30 40 EFEB C=CCSc1nc2nc3c(cc2c(=O)n1CC)COC(C)(C)C3 2394260 WYIVAYNOWVORIF-UHFFFAOYSA-N 331.441 2.941 30 40 EFEB COc1cc(OC)c(CNC(=O)Nc2cccc(C#N)c2)c(OC)c1 47338035 IFXICEQGAHNBRW-UHFFFAOYSA-N 341.367 2.906 30 40 EFEB CN(C(=O)COC(=O)CCc1ccccc1)C1(C#N)CCCCC1 5381670 IWDZOAYCQRKXKW-UHFFFAOYSA-N 328.412 2.847 30 40 EFEB N#Cc1c(F)cccc1N1CCCN(Cc2noc(C3CC3)n2)CC1 69950771 DWTAOIVCOXQKQI-UHFFFAOYSA-N 341.390 2.670 30 40 EFEB C=CC[C@H](NC(=O)Nc1ccc(S(C)(=O)=O)cc1)c1ccncc1 69973267 CPFLYLUBCZCCJO-INIZCTEOSA-N 345.424 2.924 30 40 EFEB CCCS(=O)(=O)Nc1ccc(NCc2cc(C#N)n(C)c2C)cc1 89960388 DXJNOIZYTQBEKL-UHFFFAOYSA-N 346.456 2.969 30 40 EFEB Cc1cc(C#N)ccc1S(=O)(=O)Nc1cc(C(=O)O)ccc1F 76935751 DGHLBXHJLJMIKT-UHFFFAOYSA-N 334.328 2.505 30 40 EFEB COCc1cc(C)nc(N/N=C/c2cccc([N+](=O)[O-])c2)c1C#N 408722700 WHIPKRITEZAOHJ-GIJQJNRQSA-N 325.328 2.762 30 40 EFEB N#Cc1cc2c([nH]c1=O)CCN(C(=O)c1cccc3ccccc13)C2 225683042 HXEYHBYSQUWTNB-UHFFFAOYSA-N 329.359 2.598 30 40 EFEB CS(=O)(=O)/N=C(/O)CC/N=C(/O)c1cccc2ccsc12 330032771 RPTQGTFKKFPISX-UHFFFAOYSA-N 326.399 2.512 30 40 EFEB N#Cc1cccnc1NCCNC(=O)c1c[nH]c2cc(Cl)ccc12 64355261 HIXZQAVGDDXCSH-UHFFFAOYSA-N 339.786 2.930 30 40 EFEB CC(=O)N[C@@H]1[C@@H](O)C[C@@H]2[C@H]3CCC4=CC(=O)CC[C@]4(C)[C@@H]3CC[C@]12C 253504340 FOJQXPABGWZAGJ-KKNSKQTASA-N 345.483 2.994 30 40 EFEB biogenic,in-vitro Cc1nnc(SCC(=O)Nc2sc3c(c2C#N)CCC3)s1 2475406 MFQLOKPYYXYNAJ-UHFFFAOYSA-N 336.467 2.999 30 40 EFEB C=CCN1CCO[C@H]2CCN(C(=O)c3cccc(Cl)c3)CC[C@H]21 2055746364 UEXHGDKQVJITDT-SJORKVTESA-N 334.847 2.831 30 40 EFEB CC(C)c1cc(C(=O)N2CCCN(c3ccccc3C#N)CC2)n[nH]1 53212041 DBWDYFIQAPUQLE-UHFFFAOYSA-N 337.427 2.757 30 40 EFEB CC(=O)Nc1ccc(S(=O)(=O)Nc2sc(C)c(C)c2C#N)cc1 483607 LEPZNMGFZCIMHF-UHFFFAOYSA-N 349.437 2.996 30 40 EFEB C=C(Br)CNC(=O)C(O)(c1ccccc1)c1ccccc1 1674056 OCKNNOLROVSBNW-UHFFFAOYSA-N 346.224 2.947 30 40 EFEB CCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@@H]1c1c(C)nn(C)c1C 2770303 SRMVAEREHRWIMQ-GOSISDBHSA-N 343.427 2.568 30 40 EFEB C=CCNC(=O)COC(=O)c1cc(Br)ccc1Cl 3316588 QMGHUFOILDQERE-UHFFFAOYSA-N 332.581 2.562 30 40 EFEB CN(C)c1cccc(CNC(=O)Nc2cc(C#N)ccc2Cl)n1 95981895 NDQROJUDEUJRFF-UHFFFAOYSA-N 329.791 2.994 30 40 EFEB C=CCN(CCc1ccccc1)C(=O)Nc1ccccc1CC(N)=O 62389428 KPKTZHOTHLXOGY-UHFFFAOYSA-N 337.423 2.977 30 40 EFEB O=S(=O)(/N=C(\O)Cc1ccc(F)cc1)c1ccc(F)c(F)c1 48616146 QTPRFBDAAOULJH-UHFFFAOYSA-N 329.299 2.992 30 40 EFEB COc1cc(C#N)ccc1OC(=O)C1CCN(CC(F)(F)F)CC1 49361756 JOGXOGFXYHHZCF-UHFFFAOYSA-N 342.317 2.747 30 40 EFEB Cc1cc(NC(=O)Cn2c(C)cc(C)c(C#N)c2=O)ccc1Cl 409412173 SNWJBVQQGIQIPQ-UHFFFAOYSA-N 329.787 2.937 30 40 EFEB C#Cc1cccc(NC(=O)C(=O)NCCc2c(C)[nH]c3ccccc23)c1 65623550 CUCNAXVPXNSJJX-UHFFFAOYSA-N 345.402 2.755 30 40 EFEB N#Cc1ccc(NC(=O)CS(=O)(=O)Cc2ccccc2)cc1Cl 4740432 OLBSORHSUAPZQY-UHFFFAOYSA-N 348.811 2.765 30 40 EFEB CC(C)[C@@H]1CCCC[C@H]1NC(=O)C(=O)Nc1ccc(F)c(C#N)c1 71799756 RZMIDIPCEHKVFU-GOEBONIOSA-N 331.391 2.967 30 40 EFEB C=CCO[C@@H](C)C(=O)NC1CCN(Cc2ccc(F)c(F)c2)CC1 68876942 MWTSIONYDMQDDE-ZDUSSCGKSA-N 338.398 2.637 30 40 EFEB COC[C@@](C)(C#N)NC(=O)CCc1cc(F)ccc1Br 97085792 VXZBSVUJNUYUPH-CQSZACIVSA-N 343.196 2.566 30 40 EFEB CC/N=C(/NCc1ccc(C)cc1OC(C)C)NCC1(C)COC1 97021922 WHJRSXWOHURFQD-UHFFFAOYSA-N 333.476 2.874 30 40 EFEB C[C@@H](CC(=O)N(C)C)NC1CCC(Oc2ccccc2C#N)CC1 97032863 STFBWCXCDMXSCH-OOHWJJMZSA-N 329.444 2.705 30 40 EFEB C=CCCC(=O)Nc1cc(S(=O)(=O)NC(C)(C)C)c(F)cc1F 75145144 ZQPJQBAFVOMDIV-UHFFFAOYSA-N 346.399 2.946 30 40 EFEB Cc1cc(N)nc(S[C@H](C)C(=O)N(C)C2(C#N)CCCCC2)n1 8753162 KPVNYUAOXVYIMR-GFCCVEGCSA-N 333.461 2.533 30 40 EFEB N#CCCN(CC(F)(F)F)S(=O)(=O)Cc1ccc(F)cc1F 195579252 MQHZZASHSZLBDV-UHFFFAOYSA-N 342.289 2.573 30 40 EFEB N#CCCn1cc(C(=O)CN2CCO[C@@H]3CCC[C@H]32)c2ccccc21 230117799 BRLGCVHZGZVRJN-UYAOXDASSA-N 337.423 2.991 30 40 EFEB C#Cc1cccc(N(CC(=O)NC)C(=O)Cc2ccc(Cl)s2)c1 252495016 OKYDGGARRKFKPX-UHFFFAOYSA-N 346.839 2.705 30 40 EFEB CCOc1ccc(Cl)cc1C=NN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 254738240 NZYSNXHFFINCNV-KUDNYVPYSA-N 344.798 2.880 30 40 EFEB Cc1cccc(C(=O)N2CCCN(CCCSCC#N)CC2)c1 74981544 DCVFKVHLSCZKKM-UHFFFAOYSA-N 331.485 2.790 30 40 EFEB CN(C)c1ccc([C@@H]2CCCN2Cc2ccc(F)c(C#N)c2)nn1 591624724 NAFDJSLRFKKXOI-KRWDZBQOSA-N 325.391 2.890 30 40 EFEB COCCNC(=S)NN=C(Cc1ccccc1)Cc1ccccc1 5444625 GBOZKEHZRNDGTM-UHFFFAOYSA-N 341.480 2.938 30 40 EFEB Cc1cnc(N(C)[C@@H]2CCCN(c3nc(C)cc(C)c3C#N)C2)nc1 1888860276 LNTZZBWXLQCQDA-MRXNPFEDSA-N 336.443 2.774 30 40 EFEB Cc1ccc(C(=O)N2CCCN(Cc3ccc(C#N)cc3)CC2)n1C 23451197 GNALIGPPINLKAK-UHFFFAOYSA-N 336.439 2.553 30 40 EFEB N#Cc1ccc(/C=C/C(=O)N2CCC[C@@H]2c2nnc3ccccn23)cc1 31503429 WHCOJYQLTNQVPF-SXSDINLZSA-N 343.390 2.978 30 40 EFEB N#Cc1ccc(NCc2ccc(N3CCC(O)CC3)c(F)c2)nc1 52457650 CILBJMABXKRDAZ-UHFFFAOYSA-N 326.375 2.666 30 40 EFEB Cc1ccc([C@@H](CNCc2ccc(C#N)cc2)N2CCOCC2)o1 53814354 GRZBFYGHRMQHRN-GOSISDBHSA-N 325.412 2.623 30 40 EFEB CC(=O)C1=C(c2ccc(Cl)cc2)N(C(C)=O)n2c(C)nnc2S1 4518213 QOBSXZMZHBDBFC-UHFFFAOYSA-N 348.815 2.788 30 40 EFEB C=CCSc1nc2c(c(=O)[nH]1)[C@H](c1cccc(OC)c1)CC(=O)N2 4944390 HBPXFAHAMVHAAC-LBPRGKRZSA-N 343.408 2.531 30 40 EFEB COc1ccccc1-c1cc(CSc2ncc(C#N)c(N)n2)on1 9157412 LDCLMUXQMFZPFA-UHFFFAOYSA-N 339.380 2.886 30 40 EFEB N#CC1(NC(=O)COc2ccc([N+](=O)[O-])cc2F)CCCCCC1 58158470 SEMSUIINNMXHDA-UHFFFAOYSA-N 335.335 2.845 30 40 EFEB N#Cc1ccccc1N1CCCN(C(=O)c2ccc3c(c2)OCO3)CC1 46849373 JZNBPEXFDVODAC-UHFFFAOYSA-N 349.390 2.639 30 40 EFEB O=C1Nc2c(O)cc(Cl)cc2[C@@](C#CC2(O)CC2)(C(F)(F)F)O1 22057675 WILFXLMJFSKQRP-ZDUSSCGKSA-N 347.676 2.894 30 40 EFEB in-vitro CCc1n[nH]c(=S)n1/N=C1/C(=O)N(CC(C)C)c2ccccc21 6343543 OUKGGWLAYGRIHD-XMHGGMMESA-N 329.429 2.758 30 40 EFEB CCCCCn1c(N/N=C(\C)CCCC)nc2c1c(=O)[nH]c(=O)n2C 4737276 CHVFWUIVMWPAFJ-UDWIEESQSA-N 348.451 2.592 30 40 EFEB C=CC/N=C1/NC(=O)[C@@H](CC(=O)Nc2cccc(Cl)c2C)S1 7850730 UZNPOSPXLIYNMF-GFCCVEGCSA-N 337.832 2.751 30 40 EFEB Cc1ccc(S(=O)(=O)N/N=C2\CCc3ccccc32)cc1[N+](=O)[O-] 7942609 YHIUDZVLMRQSOE-BMRADRMJSA-N 345.380 2.532 30 40 EFEB Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)[C@H]1CCC(=O)N1 69807673 LWLBBTHOZJTOIM-GOSISDBHSA-N 349.390 2.663 30 40 EFEB C=C(Cl)CN1C(=O)N[C@@](C)(c2ccc(OC(F)F)cc2)C1=O 8938666 SOAVFHQRPIZXPF-AWEZNQCLSA-N 330.718 2.808 30 40 EFEB Cc1ccc2nc(N=C3NCN(C4CCCCC4)CN3)nc(C)c2c1 19324294 KWYLSRBLRNYHDL-UHFFFAOYSA-N 338.459 2.977 30 40 EFEB N#CC1(NC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])CCC1 97085795 NHNKQHGWYVRCTD-UHFFFAOYSA-N 325.777 2.903 30 40 EFEB N#Cc1cccc(N2CCN(c3ccc(C(F)(F)F)cn3)CC2)n1 339218085 ULEMUCHUJCBHHL-UHFFFAOYSA-N 333.317 2.694 30 40 EFEB COc1cccc(/C=C/C(=O)c2ccc(NS(C)(=O)=O)cc2)c1 64307902 ABXGIFTVZUUDSE-IZZDOVSWSA-N 331.393 2.963 30 40 EFEB N#Cc1cccc(N[C@H]2CO[C@]3(CCN(Cc4ccsc4)C3)C2)n1 96047660 USPBKFNLMRPHCN-SJLPKXTDSA-N 340.452 2.860 30 40 EFEB COc1ccc(CN[C@H]2CC[C@H](C(F)(F)F)N(C)C2)cc1C#N 583616485 BYUUMMNQZMFANH-DZGCQCFKSA-N 327.350 2.682 30 40 EFEB Cc1cc(Br)ccc1CC(=O)N[C@@]1(C#N)CCSC1 95995061 RPYCCUCXFPEJEV-CQSZACIVSA-N 339.258 2.816 30 40 EFEB Cc1cc(O)cc(O)c1/C=N/c1c(C)n(C)n(-c2ccccc2)c1=O 3096744 BTNMBDFYPHRBJC-RGVLZGJSSA-N 337.379 2.955 30 40 EFEB COC(=O)C[C@]1(O)C(=O)C=C(c2ccccc2)N1c1ccc(C)cc1 16292651 PJZFLTPUYIHROA-FQEVSTJZSA-N 337.375 2.677 30 40 EFEB C=CCN1C(=O)/C(=C/c2ccc(OCC(=O)O)cc2)SC1=S 1581275 ASNZDYIZUXJCBX-WQLSENKSSA-N 335.406 2.537 30 40 EFEB N#Cc1ccc(C(=O)NC[C@@](O)(c2ccoc2)c2cccs2)cc1 240067809 SCQPZZGPKABFTE-GOSISDBHSA-N 338.388 2.879 30 40 EFEB Cc1ccccc1N1C(=O)CN(C(=O)C#Cc2ccccc2)C[C@H]1C 14884607 FMZFHXTWXWYZHC-QGZVFWFLSA-N 332.403 2.610 30 40 EFEB Cc1ccc(S(=O)(=O)NN/C=C2\Sc3ccccc3C2=O)cc1 100727408 HXPKSECFQUPUKI-GDNBJRDFSA-N 346.433 2.608 30 40 EFEB COc1ccc(-c2nc(C#N)c(NC[C@H]3CCCO3)o2)cc1OC 533649 MZTMDQAFMPJJBY-GFCCVEGCSA-N 329.356 2.821 30 40 EFEB C[C@](C#N)(NC(=O)COC(=O)C1(c2cccc(F)c2)CCC1)C1CC1 42728971 OOCPHNMOTCDDJZ-GOSISDBHSA-N 344.386 2.599 30 40 EFEB C=CCN1C(=O)C2(CCCCC2)NC12CCN(c1ccccn1)CC2 78784524 GFSARTJUJSILFV-UHFFFAOYSA-N 340.471 2.699 30 40 EFEB N#Cc1cccc([C@H](c2nnnn2Cc2ccccc2)N2CCCC2)c1 57710387 YAVQNMBQXIPLNK-LJQANCHMSA-N 344.422 2.778 30 40 EFEB CC(C)c1noc(CN2CCN(c3ccc(C#N)cc3F)CC2)n1 58330184 JTRBMQUYBAYFFG-UHFFFAOYSA-N 329.379 2.526 30 40 EFEB CCCCNC(=O)[C@@H](C#N)c1nc2ccccc2nc1N1CCCC1 2303460 RZCFUTSGAJPMHL-AWEZNQCLSA-N 337.427 2.753 30 40 EFEB CCNC(=S)N/N=C/c1ccc(-c2ccc(C(=O)OC)cc2)o1 58822533 ICDQWNWVTUICDK-VCHYOVAHSA-N 331.397 2.551 30 40 EFEB CCCNS(=O)(=O)c1ccc(C(=O)/C=C/c2ccc(O)cc2)cc1 7713786 MJVKRLXWPNZSPW-LFYBBSHMSA-N 345.420 2.977 30 40 EFEB CC(C)(C#N)C(=O)N1CCCN(C(=O)Nc2ccc(Cl)cc2)CC1 70039153 UJHYZJAUKROLKZ-UHFFFAOYSA-N 348.834 2.956 30 40 EFEB CN(CC(=O)NCC(C)(C)c1ccc(F)cc1)c1ccc(C#N)cn1 69585349 STASJFPQBFJSMU-UHFFFAOYSA-N 340.402 2.623 30 40 EFEB N#Cc1cccc(OCc2cccc(C(=O)N3CCC[C@H](O)C3)c2)c1 72285742 XUQRPUMAWPSPGY-SFHVURJKSA-N 336.391 2.734 30 40 EFEB CCOC(=O)c1sc(NC(=O)CN2CCCCC2)c(C#N)c1C 409385190 JWDDDSDLFIZOAD-UHFFFAOYSA-N 335.429 2.529 30 40 EFEB N#Cc1ccccc1Cn1cc([C@H]2OCCN2c2ccc(F)cc2)nn1 216770857 XPAFOYCTMLQMFY-LJQANCHMSA-N 349.369 2.873 30 40 EFEB COc1cc(C#N)ccc1OCCn1cc(Br)ccc1=O 77490933 WSLFGBWKFBOTBI-UHFFFAOYSA-N 349.184 2.570 30 40 EFEB CN1C(=O)C[C@@H](C(=O)Nc2ccc(C#N)cc2)[C@@H]1c1ccc(F)cc1 72242187 KDWHGPIEQIBYSI-AEFFLSMTSA-N 337.354 2.855 30 40 EFEB O=C(NO)c1ccc(-c2ccc(Br)cc2[N+](=O)[O-])o1 226289994 JCOIDWYDYZRRLE-UHFFFAOYSA-N 327.090 2.736 30 40 EFEB C[C@H](C#N)CNC(=O)N[C@@H](C)Cc1ccc(F)c(Br)c1 96500869 OVCKFIBSNIBZHZ-ZJUUUORDSA-N 342.212 2.978 30 40 EFEB N#Cc1ccc(CNC(=O)NC[C@H](O)c2ccc(Cl)c(F)c2)cc1 95447188 UMRIRXHOLFTMGI-INIZCTEOSA-N 347.777 2.884 30 40 EFEB COc1cc(CCNS(=O)(=O)Cc2cccc(C#N)c2)ccc1C 96421259 WIFYSMAFBSAHLQ-UHFFFAOYSA-N 344.436 2.537 30 40 EFEB C[C@H](c1nc(C(C)(C)C)no1)N1CCN(c2cc(C#N)ccn2)CC1 13000283 DMDAHUQMUJTACB-CYBMUJFWSA-N 340.431 2.517 30 40 EFEB C=CCn1c(N)c(C(=O)NCc2ccc(OC)cc2)sc1=S 12416100 UGJRKRPPFMTXRF-UHFFFAOYSA-N 335.454 2.986 30 40 EFEB C[C@@H]1CCCC[C@]12NC(=O)N(Cc1cn3ccccc3c1C#N)C2=O 40040800 AQEQVKRKBIRJKX-YJYMSZOUSA-N 336.395 2.812 30 40 EFEB O=C(/C=C\Nc1ccc(Br)cc1)C1C(=O)CCCC1=O 100056680 IPLNQVFNIZDLRN-HJWRWDBZSA-N 336.185 2.882 30 40 EFEB COc1cccc(C(=O)NCCNc2cccc(F)c2C#N)c1OC 42104795 VSJZEOJLVOVJQR-UHFFFAOYSA-N 343.358 2.556 30 40 EFEB CCN1CCN(c2oc(COc3cccc(C)c3)nc2C#N)CC1 108350 JJFOUAWHRXNMII-UHFFFAOYSA-N 326.400 2.576 30 40 EFEB C[C@@H](Nc1ccc([N+](=O)[O-])c(C#N)c1)C(=O)N1CCc2ccccc21 97144744 YVUWEFSAWXUZBU-GFCCVEGCSA-N 336.351 2.856 30 40 EFEB Cc1ccc(CNC(=O)c2ccc(-n3ncc(C#N)c3N)cc2)s1 66240698 KUYSTSKGRSXEHD-UHFFFAOYSA-N 337.408 2.626 30 40 EFEB COc1ccc(OCC(=O)O/N=C(\N)Cc2ccc(Cl)cc2)cc1 4723221 NMUPNWBJONJIAL-UHFFFAOYSA-N 348.786 2.786 30 40 EFEB C[C@@H]1CN(Cc2cccc(CNC(=O)c3cccc(C#N)c3)c2)CCO1 67809941 HTLQULOMIMTXCS-MRXNPFEDSA-N 349.434 2.709 30 40 EFEB C[C@H](OC(=O)c1ccc(C#N)cc1)C(=O)N(C)Cc1cccc(F)c1 7416758 BAOIZHXEFDYVAO-ZDUSSCGKSA-N 340.354 2.901 30 40 EFEB CN(Cc1cn2ccccc2c1C#N)C[C@H]1CCCN1c1cccnn1 71877491 SBJVYCNVXDYGEQ-QGZVFWFLSA-N 346.438 2.702 30 40 EFEB CC(=O)Nc1ccc(/C=C/C(=O)N(CCC#N)Cc2ccccn2)cc1 69697742 ZFAOEWIDXHHTEN-DHZHZOJOSA-N 348.406 2.996 30 40 EFEB CC(=O)NCCOc1cccc2ccc[n+](CC(=O)c3ccccc3)c12 408718586 FBDSHQPFOMNGDW-UHFFFAOYSA-O 349.410 2.525 30 40 EFEB O=C1Oc2ccccc2C(=O)/C1=C/NCc1noc(-c2ccccc2)n1 1547200842 KIMJMLWLGYOIKD-UVTDQMKNSA-N 347.330 2.512 30 40 EFEB CC/N=C1\S/C(=C\c2ccc(O[C@H](C)C(=O)O)cc2)C(=O)N1CC 408849528 WVPKKMFHSVZMIQ-MQBQXDSKSA-N 348.424 2.851 30 40 EFEB C[C@H](C#N)CNC(=O)N[C@H](C)Cc1ccc(F)c(Br)c1 96500870 OVCKFIBSNIBZHZ-NXEZZACHSA-N 342.212 2.978 30 40 EFEB N#Cc1cc(N2CCC[C@H](CN3CCOCC3)C2)nc2ccccc12 96429497 WXMSMLQIEUFKNX-MRXNPFEDSA-N 336.439 2.655 30 40 EFEB Cc1cc(Cn2cc(Br)c(=O)c([N+](=O)[O-])c2)ccc1C#N 390835168 FTBJUMZSACNWQT-UHFFFAOYSA-N 348.156 2.747 30 40 EFEB CCN(CCNC(=O)CNc1ccc(C#N)cc1)c1ccccc1C 40158623 ADHRAYBNFVYNCJ-UHFFFAOYSA-N 336.439 2.921 30 40 EFEB Cc1cc(C)c2cc(C(=O)OCC(=O)N[C@](C)(C#N)C(C)C)[nH]c2c1 12568290 IKZRQKSLOSNNCD-LJQANCHMSA-N 341.411 2.996 30 40 EFEB CCCC/C(O)=N/S(=O)(=O)c1ccc2c(c1)[nH]c(=O)n2CCC 48574181 WVXFXTCKHWNRSD-UHFFFAOYSA-N 339.417 2.575 30 40 EFEB CC(=O)c1c(C)[nH]c(C(=O)OCC(=O)Nc2sccc2C#N)c1C 6824896 YHPGCLAPXUASIC-UHFFFAOYSA-N 345.380 2.563 30 40 EFEB CC(C)[C@@H](Oc1ccccc1C#N)C(=O)N1CCC(N(C)C)CC1 71821504 XHFGMUIRVYXLPN-GOSISDBHSA-N 329.444 2.514 30 40 EFEB CC[C@]1(c2ccccc2)NC(=O)N(CCOc2ccc(C#N)cc2)C1=O 8753312 GSJDTIUIANBYKF-HXUWFJFHSA-N 349.390 2.794 30 40 EFEB N#C[C@H](C(=O)c1ccc(Br)cc1)C(=O)N1CCCCC1 103502383 ALIMQNJRZXMPQU-CYBMUJFWSA-N 335.201 2.784 30 40 EFEB COc1ccc(C(=O)/C=C/c2ccc(OCC(=N)N)cc2)cc1OC 5856412 OJHRQGQGFMCKSK-WEVVVXLNSA-N 340.379 2.915 30 40 EFEB C=CCS(=O)(=O)N1CCC(c2nc(C)n3c(C)csc23)CC1 19240578 MSAFXXFPKMIIRI-UHFFFAOYSA-N 339.486 2.708 30 40 EFEB CNC(=N)N/N=C(/c1ccccc1)c1ccc(Br)cc1 1572548 SOFUQTGDLLAPQE-RGEXLXHISA-N 331.217 2.945 30 40 EFEB N#Cc1cccnc1N1CCN(c2ccc(C(F)(F)F)cn2)CC1 12819842 RXBGWYDFEDUZQD-UHFFFAOYSA-N 333.317 2.694 30 40 EFEB CCOc1ccc(Cl)c(C(=O)Nc2cc(C)nn2CCC#N)n1 58245602 LZBBLALICREVQN-UHFFFAOYSA-N 333.779 2.805 30 40 EFEB N#CC1(NC(=O)COc2ncnc3sc4c(c23)CCC4)CCCC1 58854046 GTYUANQQXYQXEI-UHFFFAOYSA-N 342.424 2.511 30 40 EFEB CCOc1cc(/C=N\O)ccc1OCC(=O)Nc1ccc(OC)cc1 107723309 HGNIGJKDFZFPIF-ODLFYWEKSA-N 344.367 2.920 30 40 EFEB C=CCSCC(=O)Nc1cc(-n2nnnc2C2CC2)ccc1F 96423978 KABAYKDVCFYMPZ-UHFFFAOYSA-N 333.392 2.537 30 40 EFEB C[C@H](OC[C@@H]1CCCO1)/C(O)=N/S(=O)(=O)c1ccccc1Cl 69283753 KLWGVXXKMSAMNT-QWRGUYRKSA-N 347.820 2.569 30 40 EFEB Cc1cc(C)n(C[C@@H]2CN(Cc3cn4ccccc4c3C#N)CCO2)n1 69368580 OCHLBLHDNHYASK-SFHVURJKSA-N 349.438 2.525 30 40 EFEB Cc1cc(NCCC[S@@](C)=O)n2c(nc3ccccc32)c1C#N 69629568 WKYPLVSRJJHGRF-QHCPKHFHSA-N 326.425 2.848 30 40 EFEB C=CCn1c(SCC(=O)N[C@H](C)CC)nc2ccsc2c1=O 9690770 FDJKKNQIOMHLKA-SNVBAGLBSA-N 337.470 2.651 30 40 EFEB COc1c([C@@H]2CCCN2CCOc2ccccc2C#N)c(C)nn1C 72253789 FBQZGBIZBBHRAI-INIZCTEOSA-N 340.427 2.825 30 40 EFEB N#Cc1cc(N[C@@H]2CCN(C(=O)C3CCCC3)C2)ccc1[N+](=O)[O-] 97145152 WNQSFVNBAZOVEC-OAHLLOKOSA-N 328.372 2.669 30 40 EFEB C=CCn1nnnc1S[C@H](C)c1nc(Cc2ccc(F)cc2)no1 84667707 CCOXSSCKOOHJLH-SNVBAGLBSA-N 346.391 2.825 30 40 EFEB N#Cc1ccc(S(=O)(=O)CCn2ccnc2-c2cccs2)cc1 95974096 HTTSPVGSZMADOB-UHFFFAOYSA-N 343.433 2.957 30 40 EFEB O=C1NC(=O)N(c2ccccc2F)C(=O)[C@H]1C=Nc1ccccc1F 408527325 MCJLSDXXWDCNHX-JTQLQIEISA-N 343.289 2.566 30 40 EFEB CCCOc1ccc(/C=N/n2c(S)nnc2-c2cc(C)n[nH]2)cc1 18213449 JFYICHXHUBQYER-LICLKQGHSA-N 342.428 2.936 30 40 EFEB CCCCN/C(O)=N/S(=O)(=O)c1ccccc1OC(F)(F)F 40116166 YUYVTINSNQYOPU-UHFFFAOYSA-N 340.323 2.578 30 40 EFEB CSc1nc(N)nc(SCC(=O)c2ccc(F)cc2)c1C#N 49869 NKIDVLODGAKIJW-UHFFFAOYSA-N 334.401 2.766 30 40 EFEB CSc1[nH]c(=O)c(C(=O)N[C@@H]2CCc3ccc(F)cc32)cc1C#N 106920802 FPXSKZAJTICGIK-CQSZACIVSA-N 343.383 2.525 30 40 EFEB C=CCN(CC=C)C(=O)CSc1nc(-c2ccccc2)cn1N 7988912 SFCMBSYORXUBFM-UHFFFAOYSA-N 328.441 2.557 30 40 EFEB C=CCN/C(S)=C(\C(=O)c1cccc([N+](=O)[O-])c1)[n+]1ccccc1 12566874 IUCZPFYBYLQLOC-UHFFFAOYSA-O 342.400 2.597 30 40 EFEB N#Cc1cccc(NC(=O)N[C@@H](Cc2ccccc2)[C@H](O)C(F)F)c1 58356347 GEVLYMZRCLLZJF-HOTGVXAUSA-N 345.349 2.917 30 40 EFEB CCOC1(OCC)N=C(N)[C@@]2(C#N)[C@H](c3ccccc3Cl)[C@]12C#N 100478917 CVHHGBAXYMRGOY-IMJJTQAJSA-N 344.802 2.555 30 40 EFEB N#Cc1ccc(C(=O)N2CCCN(Cc3cccs3)CC2)cc1 36391799 JWEVLJVARCAFLG-UHFFFAOYSA-N 325.437 2.968 30 40 EFEB COCc1cc(/C=N/n2c(SC)nnc2C(F)F)ccc1OC 2790158 DREZRHKGGPKKRX-REZTVBANSA-N 342.371 2.975 30 40 EFEB O=C(NOC(=O)c1ccccc1F)c1ccc(OC(F)F)cc1 3210451 ZOEVSWXBFGORIA-UHFFFAOYSA-N 325.242 2.929 30 40 EFEB Cc1sc2ncn(/N=C/c3ccccc3[N+](=O)[O-])c(=O)c2c1C 3344397 ZVQUZUFXJZRHTN-REZTVBANSA-N 328.353 2.865 30 40 EFEB CC(C)(CNC(=O)C(=O)Nc1cccc(C#N)c1)c1ccc(F)cc1 71799738 GIVQKQRQLVIDDN-UHFFFAOYSA-N 339.370 2.730 30 40 EFEB CCC(=O)N1CCC[C@@H]1[C@@H]1CCCN1CCOc1ccc(C#N)cc1 69668457 RBCGGIZIDHWPQT-RBUKOAKNSA-N 341.455 2.802 30 40 EFEB CC(=O)N1CCCCC[C@H]1C1CCN(c2ccc(C#N)cn2)CC1 69845955 RIKSZXXZGGGNJO-SFHVURJKSA-N 326.444 2.961 30 40 EFEB CC/N=C(/NCc1noc(C)n1)N[C@@H](C)c1cc2ccccc2o1 88923958 VMYNYAYFMBPQFD-NSHDSACASA-N 327.388 2.941 30 40 EFEB CC#CC(=O)N1CCC(Cc2cccc(F)c2)(C(=O)OCC)CC1 11958466 KHPKRDXCOIXKAN-UHFFFAOYSA-N 331.387 2.563 30 40 EFEB CN(Cc1cnccn1)C(=O)Nc1cccc(C#Cc2ccccn2)c1 96410663 NTTQKDSQAKQCQF-UHFFFAOYSA-N 343.390 2.935 30 40 EFEB Cc1cc(Br)c(NC[C@@H](O)C2CCOCC2)c(C#N)c1 585133120 UEKQPBBQPXSQBL-CQSZACIVSA-N 339.233 2.829 30 40 EFEB COc1cccc(-n2nc(C#N)c(N3CCc4ccccc4C3)n2)c1 256046292 FAWYSPCXUCUVIY-UHFFFAOYSA-N 331.379 2.710 30 40 EFEB CC(=O)c1cccc(N2CC(=O)C(c3nc(C)c(C)s3)=C2N)c1 13690600 IKVKISALKWYVMS-UHFFFAOYSA-N 327.409 2.679 30 40 EFEB COc1ccc(C2=NN(C)C(=N)/C2=N/Nc2ccc(F)cc2)cc1 3767634 DNKCPTXCNAQLAA-RWGRRXIQSA-N 325.347 2.929 30 40 EFEB COc1ccc(-c2csc3c(=O)n(CC#N)cnc23)cc1OC 23126654 RFVONRXVWRNFGE-UHFFFAOYSA-N 327.365 2.666 30 40 EFEB N#Cc1cccc(C(=O)N2CCC3(CC2)OC(=O)c2ccccc23)c1 211108002 OFWSGRRXAVHDRE-UHFFFAOYSA-N 332.359 2.860 30 40 EFEB N#Cc1ccc(CN2CCC(Cn3cnc(C4CC4)cc3=O)CC2)cc1 585629684 BPHZXNJXSSJMAA-UHFFFAOYSA-N 348.450 2.905 30 40 EFEB Cc1nn2c(=N)c(C#N)c[nH]c2c1-c1ccc(Br)cc1 104260836 JWJRUWLNWLBKQT-UHFFFAOYSA-N 328.173 2.751 30 40 EFEB Cc1ccc2ncn(CC(=O)N(CCC#N)c3ccccc3)c(=O)c2c1 40543336 PKRRORAGNNPQDK-UHFFFAOYSA-N 346.390 2.652 30 40 EFEB CC(=C/c1ccccc1)/C=N/NS(=O)(=O)c1cccc([N+](=O)[O-])c1 33366644 VQBONXXPMVLLBA-LQLZSPBTSA-N 345.380 2.962 30 40 EFEB Cn1c(CSc2ncc(C#N)c(N)n2)nc2cc(Cl)ccc21 53548225 FRZTZFNZDIXRAG-UHFFFAOYSA-N 330.804 2.763 30 40 EFEB CCN1CCN(C(=O)[C@@H](C)Sc2nc(C)c(C)c(C)c2C#N)CC1 25606341 CNDDRIZVVXIYSJ-OAHLLOKOSA-N 346.500 2.523 30 40 EFEB CCOC(=O)COc1cc(Br)c(C#N)cc1OCC 2767531 BWTLQZINXIJFCJ-UHFFFAOYSA-N 328.162 2.661 30 40 EFEB N#C[C@@H](C(=O)CCC(=O)c1ccc2c(c1)OCCO2)c1ccccn1 49456337 ZQRYYDUZAFFZHK-CQSZACIVSA-N 336.347 2.692 30 40 EFEB C=C(C)CN1CCC(NC(=O)c2cccc(-c3n[nH]c(C)n3)c2)CC1 96446784 QJRXSXGBDYOXDD-UHFFFAOYSA-N 339.443 2.550 30 40 EFEB N#Cc1ccc(OC[C@H](O)Cn2ccnc2-c2cccs2)cc1 96484739 UVEIRBLDIVASSL-CQSZACIVSA-N 325.393 2.923 30 40 EFEB N#Cc1c(F)cccc1S(=O)(=O)N1CC[C@H](Nc2ccccc2)C1 89845697 YJARQYLXNXDOPD-AWEZNQCLSA-N 345.399 2.572 30 40 EFEB C[C@H]1C[C@H](C)CN(S(=O)(=O)c2oc(-c3ccccc3)nc2C#N)C1 96346168 WCECYOQUHIHGGL-STQMWFEESA-N 345.424 2.880 30 40 EFEB N#C[C@H](C(=O)NC1CC1)C(=O)[C@@H]1C[C@H]1c1cccc(C(F)(F)F)c1 245339411 SOACJDFEQJYOHK-MJBXVCDLSA-N 336.313 2.796 30 40 EFEB CN1C[C@H](NC(=O)CCc2ccc(C#N)cc2)CC[C@H]1C(F)(F)F 583618465 ZCZLFAROZJHCAF-CABCVRRESA-N 339.361 2.632 30 40 EFEB CC[C@@H]1CCCCN1c1nn(-c2ccccc2[N+](=O)[O-])nc1C#N 256046093 CQAATAWVKDCHNK-GFCCVEGCSA-N 326.360 2.816 30 40 EFEB COc1cccc(C#N)c1NC(=O)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 585124563 HXLFFVGPSZQOJR-CYBMUJFWSA-N 345.399 2.762 30 40 EFEB CCc1ncc(CN(C)[C@@H]2CCN(c3sccc3C#N)C2=O)s1 83171238 HVUAKBRERROFRZ-CYBMUJFWSA-N 346.481 2.876 30 40 EFEB N#Cc1ccc(-c2ccccc2)nc1SCC(=O)N1CCOCC1 5589938 ZBRBXCHOXZFOQW-UHFFFAOYSA-N 339.420 2.571 30 40 EFEB Cc1ccc(C)c(S(=O)(=O)N/N=C/c2cccc([N+](=O)[O-])c2)c1 2631760 PICCPFYRPUPFOT-MHWRWJLKSA-N 333.369 2.524 30 40 EFEB C=CCNC(=O)c1cccc(S(=O)(=O)N(C)c2ccccc2F)c1 102320259 JFUJRCLJNWSDAY-UHFFFAOYSA-N 348.399 2.567 30 40 EFEB CC1=CC(=O)C=C/C1=N/S(=O)(=O)c1ccc(Br)cc1 101028094 JTQYVVMWVIPYAV-SQFISAMPSA-N 340.198 2.664 30 40 EFEB CCn1cc(S(=O)(=O)/N=C(\O)Cc2c[nH]c3ccccc23)nc1C 95455855 AAOVCMLPPWJJHY-UHFFFAOYSA-N 346.412 2.581 30 40 EFEB N#Cc1cccc(C(=O)N[C@@H](CN2CCCC2=O)c2ccccc2)c1 48956111 YLJXRMNCVXWXFZ-SFHVURJKSA-N 333.391 2.652 30 40 EFEB CCOC(=O)c1sc(N)c(C#N)c1CSc1nncs1 7194747 YIKHJWSZYPXRDS-UHFFFAOYSA-N 326.428 2.522 30 40 EFEB N#Cc1cc([N+](=O)[O-])ccc1N[C@H](CO)Cc1c[nH]c2ccccc12 75146929 OYQQBLUMJOOEIC-AWEZNQCLSA-N 336.351 2.963 30 40 EFEB Cc1nc(C2CCN(CCCOc3cccc(C#N)c3)CC2)no1 89718242 IYWJRURIHUQAAT-UHFFFAOYSA-N 326.400 2.898 30 40 EFEB CC[C@H]1CN(C(=O)C2CC2)CC[C@@H]1NCc1ccc(OC)c(C#N)c1 89948874 LDNYERAMFHJPME-YJBOKZPZSA-N 341.455 2.694 30 40 EFEB Cc1ccc(N2C(=O)NC(=O)[C@@H](C=Nc3ccccc3F)C2=O)cc1 408527083 KGNKWEKYTZOASL-CYBMUJFWSA-N 339.326 2.736 30 40 EFEB C#CCOc1ccc(CN2C[C@@H]3CCCN3C[C@@H]2C)cc1OCC 72324600 WJPAOBOBAWJFKI-WMZOPIPTSA-N 328.456 2.766 30 40 EFEB COC(=O)N(C)CCCC(=O)Nc1c(C#N)c(C)c2ccccn12 585124900 YXKWBFINSFIACY-UHFFFAOYSA-N 328.372 2.536 30 40 EFEB C[C@@H](NC(=O)Nc1ccccc1)C(=O)N(C)Cc1cccc(C#N)c1 25101643 VNDIPRPJXLSBFH-CQSZACIVSA-N 336.395 2.727 30 40 EFEB COc1cccc(COC/C(O)=N/c2nc(-c3ccccn3)n[nH]2)c1 53527623 WMHFHFXPKLDSID-UHFFFAOYSA-N 339.355 2.680 30 40 EFEB N#Cc1ccc(CCC(=O)N2CCN(Cc3cccs3)CC2)cc1 24616280 RUEGQXKEUZYRBO-UHFFFAOYSA-N 339.464 2.897 30 40 EFEB C#C[C@@H]1C[C@@H]2CC(=O)[C@@H]3[C@@H]4CCC(=O)[C@@]4(C)CC[C@H]3[C@@]2(C)C[C@@H]1O 3849638 RMHPKQZBZCPFIM-DJDURJTPSA-N 328.452 2.997 30 40 EFEB O/C(=N\c1nnn[nH]1)c1cn(-c2ccccc2)nc1-c1cccs1 25436647 RKKRDXMJKWRJGQ-UHFFFAOYSA-N 337.368 2.750 30 40 EFEB Cc1cc(=O)n(CC(=O)Nc2cccc(C#N)c2)c(-c2ccccc2)n1 57526567 MHSRHLZICWLRJJ-UHFFFAOYSA-N 344.374 2.729 30 40 EFEB C=CCN(CC(F)(F)F)C(=O)c1cc(OC)c(OC)c(OC)c1 58356158 KKFLTUHDDVLAHZ-UHFFFAOYSA-N 333.306 2.903 30 40 EFEB CCCCNC(=O)[C@@H](C#N)c1nc2ccccc2nc1OC(C)C 5451830 VUWLTNATUVERCU-ZDUSSCGKSA-N 326.400 2.940 30 40 EFEB Nc1nc2ccccc2n1/N=C/c1cc(Br)ccc1O 4663985 GJQADLIAEDFGBP-CAOOACKPSA-N 331.173 2.969 30 40 EFEB C=CCOc1ccccc1CNC(=O)N[C@@H](C)c1cn(C)nc1C 71897773 YEONIUJYTRFHSZ-ZDUSSCGKSA-N 328.416 2.854 30 40 EFEB CCc1nnc(Sc2nnc(CN3CCCC3)o2)c(C#N)c1CC 95411896 SBKIJSQJAWWPIB-UHFFFAOYSA-N 344.444 2.603 30 40 EFEB Cc1cccc(CC(=O)N(CCN(C)C)Cc2cccc(C#N)c2)c1 72085311 ITXMUGPFAVTACB-UHFFFAOYSA-N 335.451 3.000 30 40 EFEB N#Cc1c[nH]c(C(=O)N[C@@H]2c3ccccc3CC[C@H]2n2ccnc2)c1 87257813 AREJTGCHQPBJON-QZTJIDSGSA-N 331.379 2.741 30 40 EFEB C=C(C)CN1CCC(NC(=O)NCc2ccc(OC(C)C)nc2)CC1 72268150 LAEAUXULILRATD-UHFFFAOYSA-N 346.475 2.709 30 40 EFEB CN(C)c1ccc(/C=N\NS(=O)(=O)c2ccc3ccccc3c2)o1 408998925 QUBQKYUVTGCZHW-PDGQHHTCSA-N 343.408 2.811 30 40 EFEB CC(=O)Oc1ccc(/C=N/Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 408764906 UELFDGKFMUSJCD-CXUHLZMHSA-N 344.283 2.874 30 40 EFEB C=CCSc1nnc(NS(=O)(=O)c2ccc(OC)cc2)s1 224097154 JQSJWIDHZCUXIW-UHFFFAOYSA-N 343.455 2.626 30 40 EFEB N#CC1(NC(=O)[C@H]2CCCN(C(=O)c3ccc(Cl)cc3)C2)CCC1 63477088 SBVGVBOFURJVGJ-AWEZNQCLSA-N 345.830 2.755 30 40 EFEB N#Cc1cccc(CN2C(=O)CC[C@H]2c2nc(-c3ccncc3)no2)c1 225466520 BAESVRLLJRJZTC-INIZCTEOSA-N 345.362 2.867 30 40 EFEB CC[C@H](CC#N)NC(=O)CCC(=O)Nc1ccc2oc(C)nc2c1 585089476 PUKYCJVFILPOBA-GFCCVEGCSA-N 328.372 2.663 30 40 EFEB C[C@]12CC[C@@H]3[C@H](CCC4=CC(=O)CC[C@@]43C)[C@H]1CC[C@@]2(O)C(=O)CO 245380320 WHBHBVVOGNECLV-ISDIOFJSSA-N 346.467 2.811 30 40 EFEB investigational CCOc1ccc(C#N)cc1NC(=O)NCC(=O)NC1CCCCC1 58643800 CPAXUSPIPDOIAG-UHFFFAOYSA-N 344.415 2.527 30 40 EFEB CCNC(=O)C[C@H]1S/C(=N\c2cccc(Cl)c2C)N(C)C1=O 13116593 VLQHXQRTOROOIK-LOPKLFAVSA-N 339.848 2.736 30 40 EFEB NC1=C(c2nc(-c3ccccc3)cs2)C(=O)CN1c1nccs1 218526141 IHUZFRPEBQXHNE-UHFFFAOYSA-N 340.433 2.983 30 40 EFEB CCOC(=O)[C@H](Sc1nc(C)cc(C(F)(F)F)c1C#N)C(C)=O 4451082 ODPZZLMOZQWHQB-LLVKDONJSA-N 346.330 2.893 30 40 EFEB COc1cccc(S(=O)(=O)/N=C(\O)c2ccc(F)cc2F)c1 58186309 OIJQNPSXSVGAMS-UHFFFAOYSA-N 327.308 2.667 30 40 EFEB C#CCN(Cc1ccc(C)cc1)C(=O)c1cccc(N2CCNC2=O)c1 58289377 ZLIOEIOHPZCBHA-UHFFFAOYSA-N 347.418 2.800 30 40 EFEB Cc1ccc([C@@H](NCCC(=O)N(CC#N)CC#N)c2ccccc2)cc1 58342393 SWORMXSTCWCQHW-NRFANRHFSA-N 346.434 2.940 30 40 EFEB Cc1ccc(OCCN(C)c2ncnc3c2cnn3CCC#N)cc1 65532827 XQCAGWAPTVCPGL-UHFFFAOYSA-N 336.399 2.564 30 40 EFEB COC(=O)c1ccccc1NC(=O)CO/N=C(\C)c1cccs1 5447058 WHGJDTADUATHOX-WOJGMQOQSA-N 332.381 2.914 30 40 EFEB CCn1cc(S(=O)(=O)/N=C(\O)c2cc(C)c(C)cc2Cl)cn1 97081004 LWUWCZOTTVKICE-UHFFFAOYSA-N 341.820 2.867 30 40 EFEB N#CCOc1ccc(/C=C2\NC(=O)N(Cc3ccccc3)C2=O)cc1 409354093 YBAFZMYJOPHDLX-ATVHPVEESA-N 333.347 2.682 30 40 EFEB C[C@@]1(c2cccc(C#N)c2)NC(=O)N(Cc2ccc(Cl)cn2)C1=O 120211373 WZVYUNJRKUVRKS-KRWDZBQOSA-N 340.770 2.574 30 40 EFEB Cc1nsc(NC(=O)[C@H]2[C@H](C(F)(F)F)[C@H]3CC[C@H]2O3)c1C#N 574168102 IYVRPVJAQHVZEY-ZYUZMQFOSA-N 331.319 2.618 30 40 EFEB CCn1cc(C(=O)OCc2ccc(C#N)cc2)c(-c2cnn(C)c2)n1 225562365 TZPVAVCVMXEXDW-UHFFFAOYSA-N 335.367 2.532 30 40 EFEB OCCOC(F)(F)[C@H](F)OC(F)(F)C(F)(F)C(F)(F)F 223377015 WUFACZFVWSWOMI-GSVOUGTGSA-N 328.102 2.691 30 40 EFEB CC1(C)CN(c2c(C#N)cnc3c(Cl)cccc23)CCN1CCO 591934489 NCOLXEPULULYOK-UHFFFAOYSA-N 344.846 2.653 30 40 EFEB CC[C@H](O)CN(Cc1ccccc1)S(=O)(=O)c1ccccc1C#N 128557005 QXBZXIGJKBLKLK-KRWDZBQOSA-N 344.436 2.520 30 40 EFEB C=CCn1cc(CN2CCCC[C@@H]2c2nc(CCOC)no2)c(C)n1 55119297 UIMAKDVOYKRZCX-MRXNPFEDSA-N 345.447 2.677 30 40 EFEB Cn1nc(C(F)(F)F)c(C#N)c1S(=O)(=O)c1ccccc1Cl 1388005 ZYBODUNSWCUSSE-UHFFFAOYSA-N 349.721 2.797 30 40 EFEB CCCCNC(=S)N/N=C1/C(=O)N(CC(C)C)c2ccccc21 3577467 HOWULPZYDARQER-XDJHFCHBSA-N 332.473 2.658 30 40 EFEB CCOc1cc(/C=N/Nc2ccc([N+](=O)[O-])cn2)ccc1OCC#N 4047987 OGKJVCIIEDTRGC-VXLYETTFSA-N 341.327 2.737 30 40 EFEB COc1ccc(/C=N/Nc2nnc3c4ccccc4n(C)c3n2)cc1 4116893 UHVWLKPSVIBQSV-YBFXNURJSA-N 332.367 2.971 30 40 EFEB Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)Nc1ccc2c(c1)CCC2 5165154 DZLLQTQQFKLIPB-UHFFFAOYSA-N 335.407 2.923 30 40 EFEB N#C[C@@]1(c2nc3ccccc3c(=O)[nH]2)Cc2ccccc2N2CCC[C@H]21 6315878 NGQIFILLDVUJMD-RXVVDRJESA-N 342.402 2.910 30 40 EFEB O=C1[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)N1N=Cc1cccn1-c1ccc(F)cc1 409407537 MLXXYDHTINWMOX-DSIZOQBWSA-N 349.365 2.757 30 40 EFEB CN1C(=S)S[C@H](/[N+]([O-])=C/c2ccc([N+](=O)[O-])cc2)C1(C)C 4785447 SJXGSKROSZHOGW-LWHXSLQUSA-N 325.415 2.592 30 40 EFEB N#Cc1cccc(C(=O)N2CCC(C(=O)N3CCCCCC3)CC2)c1 6987430 VMKFOWOSFHFJMB-UHFFFAOYSA-N 339.439 2.813 30 40 EFEB C[C@H](Oc1ccc(C#N)cc1Cl)C(=O)NC(=O)NC1CCCC1 8256855 LVFLEFMHVBVKAT-JTQLQIEISA-N 335.791 2.747 30 40 EFEB CC(=O)NC[C@H]1CCCN(c2ccc(Br)cc2C#N)C1 97083834 VCLQLSZVMWMLKK-GFCCVEGCSA-N 336.233 2.673 30 40 EFEB CCN(C[C@H](C)C#N)S(=O)(=O)c1ccc(-c2coc(C)n2)cc1 71910228 HTQAEZVQNPCVSC-GFCCVEGCSA-N 333.413 2.820 30 40 EFEB C=CCN(CC(F)(F)F)C(=O)CN1C(=O)CCCc2sccc21 69584404 FJYRTDNKXBFWLJ-UHFFFAOYSA-N 346.374 2.994 30 40 EFEB C#CCN1CCC(C(=O)NCc2ccc(OC(C)C)c(F)c2)CC1 69902649 NWVBEKYBPYGXHQ-UHFFFAOYSA-N 332.419 2.574 30 40 EFEB C=CCOc1ccc(NS(=O)(=O)c2ccc3c(c2)OCCO3)cc1 408624740 UCNUUFRNSCRWIL-UHFFFAOYSA-N 347.392 2.823 30 40 EFEB C[C@H](CC#N)Sc1ccccc1NC(=O)CSc1ncn[nH]1 95953359 OJXQPWPXMRBZOL-SNVBAGLBSA-N 333.442 2.930 30 40 EFEB N#Cc1cnn(-c2ccc(NC(=O)CCCc3ccccn3)cc2)c1N 95396296 BQSNFZVWDZTWBL-UHFFFAOYSA-N 346.394 2.683 30 40 EFEB C#C[C@H](CO)NC(=O)Nc1cccc(COCCc2ccccc2)c1 585119966 CTKNATJFVFXIQX-GOSISDBHSA-N 338.407 2.562 30 40 EFEB CCOc1ccc([C@H](COC)NC(=O)c2cc(C#N)oc2C)cc1 252497472 QIYMWGGHGLCAAF-KRWDZBQOSA-N 328.368 2.976 30 40 EFEB Cc1ncsc1C(=O)NC1CCN(c2ccc(C#N)cc2F)CC1 58314293 QINFRRYCGIILMI-UHFFFAOYSA-N 344.415 2.861 30 40 EFEB Cc1ccc(C(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)c(O)c1 74673926 DLDCDXWBBYYVID-QGZVFWFLSA-N 335.407 2.551 30 40 EFEB CC1=CC[C@H](/C(C)=C/CC[C@@](C)(O)/C=C2/C(=O)C(C)=C[C@@H]2O)OC1=O 252676117 WALMEPYKXGNNSY-WCJXRIEYSA-N 346.423 2.542 30 40 EFEB biogenic,in-vitro C=CCn1c(C)nnc1S[C@@H](C)C(=O)N1CCc2sccc2C1 23515228 RMTJRGOZCXPEEB-NSHDSACASA-N 348.497 2.900 30 40 EFEB CN(Cc1cccc(C#N)c1)C(=O)[C@H]1CCCN1C(=O)OC(C)(C)C 25105519 OHJWQRZPBWHIGH-MRXNPFEDSA-N 343.427 2.916 30 40 EFEB Cc1ccc(/C(O)=N/S(=O)(=O)Cc2c(F)cccc2F)nc1 95435515 INGSXDHNCHFTPD-UHFFFAOYSA-N 326.324 2.503 30 40 EFEB N#Cc1cccc(NC(=O)N2CCC(c3nncn3C3CC3)CC2)c1 95453705 IPHLIDNQNVXYQT-UHFFFAOYSA-N 336.399 2.896 30 40 EFEB Cc1sc2ncn(/N=C/c3ccc(C(=O)O)cc3)c(=O)c2c1C 3274768 BHUZPKYNCXFEMY-CNHKJKLMSA-N 327.365 2.655 30 40 EFEB N#CC1(NC(=O)COC(=O)c2ccc(-n3cccc3)cc2)CCCC1 5703028 UQMYMOFNJCJHGX-UHFFFAOYSA-N 337.379 2.587 30 40 EFEB CCN(C[C@@H]1CCN(C(=O)c2sccc2C#N)C1)CC(F)(F)F 96448338 BSSAURGYJAKHIO-NSHDSACASA-N 345.390 2.966 30 40 EFEB CCCCc1c(C)nc(N/N=C/c2ccc(OCC)cc2O)[nH]c1=O 16102075 BLUYHMKKLLCMJT-YBFXNURJSA-N 344.415 2.971 30 40 EFEB C=CCNC(=O)N1CCO[C@@H](c2ccccc2Br)C1 69658600 VDLIVQWQXTWDJY-CYBMUJFWSA-N 325.206 2.718 30 40 EFEB C[C@H](CC#N)NC(=O)c1ncc(Br)cc1Br 97135155 LUVBIXSHAASPQN-ZCFIWIBFSA-N 347.010 2.639 30 40 EFEB CCOc1ccc(C#N)cc1NC(=O)c1cccc(-n2ccnn2)c1 95974995 YJMXSPCWEQRXLI-UHFFFAOYSA-N 333.351 2.790 30 40 EFEB CCn1cc(S(=O)(=O)N(c2cccc(C#N)c2)C2CCC2)nc1C 585129578 OKRFQKUWURLNMM-UHFFFAOYSA-N 344.440 2.831 30 40 EFEB O=C(CCc1ccncc1)NCC(F)(C(F)(F)F)C(F)(F)F 585131451 WNUVPUUCLCBBNR-UHFFFAOYSA-N 332.219 2.963 30 40 EFEB COc1ccc(/C=N/NC(=S)N[C@@H]2C[C@H]3CC[C@@H]2C3)cc1OC 4365321 HZWCLXYETSTGAZ-QQIKJSBHSA-N 333.457 2.690 30 40 EFEB CC1CC(C(=O)N2CC[C@]3(CC(=O)N(c4ccc(C#N)cc4)C3)C2)C1 1565542432 ZPILHVPTWGKARO-SGHGTVFPSA-N 337.423 2.560 30 40 EFEB N#Cc1ccc2ncc(S(=O)(=O)c3ccc(F)c(F)c3)c(O)c2c1 15829341 BMRDMGKGXFXSFR-UHFFFAOYSA-N 346.314 2.923 30 40 EFEB COCCN1CC(=O)C(c2nc(-c3ccc(Cl)cc3)cs2)=C1N 18007282 KKBUIFHKVHVUHR-UHFFFAOYSA-N 349.843 2.622 30 40 EFEB CC(C)NC(=O)[C@@H](C#N)C(=O)[C@@H](C)Oc1ccccc1C(F)(F)F 100730461 GOGCLLQBMAKKSG-MNOVXSKESA-N 342.317 2.706 30 40 EFEB COCCn1c(SCC(=O)Nc2ccc(C#N)cc2)nc(C)c1C 32893929 FSFVGDLIVHMXPV-UHFFFAOYSA-N 344.440 2.749 30 40 EFEB C=CCN(C(=O)c1ccc(C)c(NS(C)(=O)=O)c1)C1CCCC1 53155583 VBIMLLQDBKVWTB-UHFFFAOYSA-N 336.457 2.937 30 40 EFEB Cc1cc(N2CCCC2)nc(N(CCO)Cc2ccccc2)c1C#N 71279630 RAFQRIGLUVWKLI-UHFFFAOYSA-N 336.439 2.861 30 40 EFEB COc1cc([C@@H]2NC(=O)C(O)=C2C(=O)c2ccc(C)cc2)ccc1O 4901571 APVSMKUJONZPRD-INIZCTEOSA-N 339.347 2.575 30 40 EFEB CSc1nc(SCC(=O)Nc2cccc(F)c2)nc(N)c1C#N 8742310 CBJATCBIEHBBJY-UHFFFAOYSA-N 349.416 2.522 30 40 EFEB N#Cc1cccnc1SCC(=O)NC1C2CC3CC(C2)CC1C3 9295504 QIBIBGBPJBULEM-UHFFFAOYSA-N 327.453 2.986 30 40 EFEB C/C(=N\NC1=NS(=O)(=O)c2ccccc21)c1cc2ccccc2o1 45870930 LGAGGAWGDFPBBV-WOJGMQOQSA-N 339.376 2.896 30 40 EFEB C[C@@H]1Oc2ccccc2O[C@H]1/C(O)=N/S(=O)(=O)c1cccs1 48427763 YJHOUKVUGGUIAN-TVQRCGJNSA-N 339.394 2.622 30 40 EFEB C[C@@H](C(=O)Nc1cccc(C#N)c1)n1nc(-c2ccccc2)ccc1=O 6767362 PYOTYJYNVNYRQC-AWEZNQCLSA-N 344.374 2.982 30 40 EFEB C=CCc1ccccc1OC[C@H](O)CN1CCC(c2cn[nH]c2)CC1 65464275 RGRSMCYGKUBAFB-LJQANCHMSA-N 341.455 2.758 30 40 EFEB C=CCNC(=O)c1ccc(OCC(=O)N2[C@@H](C)CCC[C@@H]2C)cc1 15508824 FAOJWYPQTULUMG-GJZGRUSLSA-N 330.428 2.771 30 40 EFEB CCCOc1ccc(C(=O)O/N=C(\N)c2ccc(OC)cc2)cc1 7668814 SHGNFTXDBZCUEY-UHFFFAOYSA-N 328.368 2.961 30 40 EFEB N#CCN(CC#N)C(=O)CCSc1cccc(Br)c1 69775160 REZBNDKYGOTBPK-UHFFFAOYSA-N 338.230 2.807 30 40 EFEB COC(=O)c1c(C)cccc1NCC(=O)NC1(C#N)CCCCC1 9753274 MSAWYGBZCXZFIT-UHFFFAOYSA-N 329.400 2.536 30 40 EFEB CC(C)n1cccc1/C(O)=N/S(=O)(=O)N(C)Cc1ccccc1 97031971 GIYVNXCHBIDSPN-UHFFFAOYSA-N 335.429 2.750 30 40 EFEB N#Cc1cc(Br)ccc1N1CCC[C@H](Cn2cncn2)C1 97083864 TWDBQCIXAVUSOS-LBPRGKRZSA-N 346.232 2.829 30 40 EFEB Cn1ncc2c(=O)n(Cc3ccc(-c4ccccc4C#N)cc3)cnc21 25148679 UEFVTSGZCFNAMK-UHFFFAOYSA-N 341.374 2.717 30 40 EFEB CS[C@H]1CCC[C@H]1N(C)CCS(=O)(=O)c1ccc(C#N)cc1 81517234 HIKIYZCYPCFYFS-CVEARBPZSA-N 338.498 2.548 30 40 EFEB COc1ccc(S(=O)(=O)/N=C(\O)Cc2cccc(C)c2)cc1OC 96403326 IZVHTIZDVUBOCG-UHFFFAOYSA-N 349.408 2.900 30 40 EFEB N#Cc1nccnc1O[C@H]1CC[C@H](NC(=O)c2ccccc2F)CC1 253394269 CNIPNBJETGKFID-JOCQHMNTSA-N 340.358 2.607 30 40 EFEB COc1ccc(/C(O)=C2\C(=O)C(=O)N[C@H]2c2ccccc2F)cc1 102588310 PATRCSRJOQQTEV-IDTYTIONSA-N 327.311 2.544 30 40 EFEB N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)NCC2CC2)CC1 32826893 HXRQCRZOTFOEAR-UHFFFAOYSA-N 340.383 2.549 30 40 EFEB CCN(Cc1nc2ccccc2c(=O)[nH]1)Cc1ccc(C#N)cc1F 24574488 MSMZAXQAUGFKQB-UHFFFAOYSA-N 336.370 2.956 30 40 EFEB CCN(C)S(=O)(=O)c1csc(C(=O)Nc2ccc(C#N)cc2)c1 6680396 IDDZCVCVMIKOSX-UHFFFAOYSA-N 349.437 2.512 30 40 EFEB COc1cc(/N=N\c2ccccc2)cc(/C=N\NC(N)=S)c1O 104276353 FCDHQZSWFCHEOA-IVKKYXHVSA-N 329.385 2.983 30 40 EFEB S=C(NC[C@H]1CCCO1)N/N=C/c1ccc(N2CCCCC2)cc1 3578669 QCGBHPWRDRDYAG-UOBPLZBXSA-N 346.500 2.654 30 40 EFEB N#Cc1ccccc1NC(=O)NC1CCN(C(=O)c2ccoc2)CC1 65531522 RWSSGHNCBZKKQG-UHFFFAOYSA-N 338.367 2.578 30 40 EFEB COc1ccccc1[C@@H](C#N)NC(=O)c1cc([N+](=O)[O-])ccc1C 68358155 KXJLQJCLQPBORZ-OAHLLOKOSA-N 325.324 2.907 30 40 EFEB CC[C@H]1c2ccsc2CCN1C(=O)CN(C)c1ccc(C#N)cn1 71821880 AXDIVFDLRKAGHM-HNNXBMFYSA-N 340.452 2.987 30 40 EFEB N#Cc1nc(NC(=O)c2csc(-c3ccsc3)n2)[nH]c1C#N 71897863 GRAIOFRZAMXJEF-UHFFFAOYSA-N 326.366 2.590 30 40 EFEB CCCN(CC#N)C(=O)Cc1csc(-c2ccc3c(c2)OCO3)n1 69417490 WPZGYZXOGKAOSX-UHFFFAOYSA-N 343.408 2.843 30 40 EFEB Cc1ccc(S(=O)(=O)N(CCC#N)CC2CCC2)c([N+](=O)[O-])c1 69485721 BUGHYKHEZHUXAC-UHFFFAOYSA-N 337.401 2.608 30 40 EFEB COc1cccc(NC(=O)CN(C)Cc2ccc(C#N)cc2F)c1 8935463 ACFPZTRBYPYXON-UHFFFAOYSA-N 327.359 2.776 30 40 EFEB C[C@H]1CCCN(/C(N)=N\C[C@@H](C)c2nc(-c3ccccc3)no2)C1 89595485 QEFLDGUHSKTVSB-UONOGXRCSA-N 327.432 2.887 30 40 EFEB Cc1nc(C)c(S(=O)(=O)/N=C(\O)[C@@H]2C[C@H]2c2ccco2)s1 96446950 MTPZKXPUJRSSDH-NXEZZACHSA-N 326.399 2.802 30 40 EFEB Cc1ccccc1C(=O)N1CCN(C(=O)c2ccccc2C)[C@@H](C#N)C1 585127780 JGMBGTNZHYNNEY-KRWDZBQOSA-N 347.418 2.794 30 40 EFEB COCCn1nc(C)c(CNc2ccc(C#N)c([N+](=O)[O-])c2)c1C 79064193 UJHVRGXAGBAMCQ-UHFFFAOYSA-N 329.360 2.538 30 40 EFEB N#Cc1ccc(OCCCN2CCO[C@@H](c3nccs3)C2)cc1 97199959 GGOGLBVXAIJRFT-MRXNPFEDSA-N 329.425 2.857 30 40 EFEB C=CCSc1nnc(NC(=O)COc2ccccc2OC)s1 7594545 DAVNYTPWAGPNMW-UHFFFAOYSA-N 337.426 2.842 30 40 EFEB C=CCN(Cc1cccs1)C(=O)c1ccnc(-n2cncn2)c1 58328203 QIFXEUAGIOTJEH-UHFFFAOYSA-N 325.397 2.552 30 40 EFEB N#Cc1cccc(NCC(=O)Nc2cccc(C(=O)NC3CC3)c2)c1 11549991 CBVDBRYUMLXQMF-UHFFFAOYSA-N 334.379 2.501 30 40 EFEB C[C@@H](CNC(=O)COc1ccc(C#N)cc1)N1CCc2ccccc2C1 29224036 NYQGIGXZYRWDAP-INIZCTEOSA-N 349.434 2.500 30 40 EFEB CN(Cc1ccccc1N1CCOCC1)C(=O)C1(C#N)CCCCC1 48275104 YSWUUHAFUAAAPK-UHFFFAOYSA-N 341.455 2.956 30 40 EFEB O=C(CNc1cccc(C#Cc2ccccc2)c1)NC[C@H]1CCOC1 95402826 OLWSHSIBLPYOEF-LJQANCHMSA-N 334.419 2.651 30 40 EFEB C[C@H](NC(=O)Cn1cnc(C#N)n1)c1ccc(-c2ccccc2)cc1 14143779 WRVZAQNJCYGASR-AWEZNQCLSA-N 331.379 2.694 30 40 EFEB CCCCN(Cc1cn2ccccc2c1C#N)[C@H]1CCS(=O)(=O)C1 67399935 JKXKSYSVALBRQQ-INIZCTEOSA-N 345.468 2.600 30 40 EFEB N#Cc1ccc(-c2cccc(CNc3cncc(C(N)=O)n3)c2)s1 96455789 OVMKXYSCNGBXAG-UHFFFAOYSA-N 335.392 2.788 30 40 EFEB Cc1ccc(OCC/C(O)=N/S(=O)(=O)C[C@H]2CCCCO2)cc1 71892440 OQBUFWLTBNZGRR-OAHLLOKOSA-N 341.429 2.619 30 40 EFEB COCCN(Cc1cccc(C)c1)S(=O)(=O)c1ccc(C#N)cc1 71965582 SFHCARSYNORTJB-UHFFFAOYSA-N 344.436 2.704 30 40 EFEB N#CCCN(Cc1ccco1)C(=O)CCCNC(=O)c1ccccc1 69388569 DVSNPQIHPLJHNE-UHFFFAOYSA-N 339.395 2.732 30 40 EFEB C[C@@H](Oc1ccc(C#N)cc1)C(=O)N1CCC(=O)Nc2ccccc21 72288073 CFFMAQYQIURJIA-CYBMUJFWSA-N 335.363 2.701 30 40 EFEB CCc1nnc(NCc2cccc(-c3nc[nH]n3)c2)c(C#N)c1CC 95412054 MRWSVZVBDDNJAV-UHFFFAOYSA-N 333.399 2.870 30 40 EFEB Cc1cc(F)c2[nH]c(=O)cc(C(=O)N(CCC#N)CC3CC3)c2c1 95995118 OJOVNOCSHQGGDY-UHFFFAOYSA-N 327.359 2.742 30 40 EFEB COC(=O)c1ccc(C)c(-n2c(C)cc(/C=N/n3cnnc3)c2C)c1 408911719 CQPRKPSKTRHPIR-ZVBGSRNCSA-N 337.383 2.663 30 40 EFEB N#C[C@H](C(=O)[C@@H]1CC(=O)N(C2CCCCCC2)C1)c1ccccn1 78611939 KQXHUNCTFLAXCC-ZBFHGGJFSA-N 325.412 2.829 30 40 EFEB CC[C@H](CCO)NC(=O)Nc1ncc(Cc2cccc(C#N)c2)s1 77508456 KKISYCKJZHSJDZ-CQSZACIVSA-N 344.440 2.888 30 40 EFEB Cc1cc(F)cc(S(=O)(=O)NCc2ccc(OCC#N)cc2)c1 80738454 UTHGKFMHAWILGC-UHFFFAOYSA-N 334.372 2.515 30 40 EFEB COc1cccc([C@H](NC(=O)CC#N)c2cc(F)ccc2OC)c1 97097323 WDWJWBHBQVJHLP-SFHVURJKSA-N 328.343 2.962 30 40 EFEB CN1CCN(C(=O)[C@@H](C#N)Cc2ccc(C#N)cc2)c2ccccc21 280260634 CKFVBYFCUQSXLT-QGZVFWFLSA-N 330.391 2.724 30 40 EFEB CC(C)N1CCc2c(C#N)c(NCc3ccco3)n3cnnc3c2C1 20713860 SFBYWTRSZMINCM-UHFFFAOYSA-N 336.399 2.573 30 40 EFEB C=CCNC(=O)C1(NC(=O)CCCc2ccccn2)CCCCC1 79040234 LRBGLIHBKCCKCH-UHFFFAOYSA-N 329.444 2.526 30 40 EFEB CN(Cc1cccc(C#N)c1)C(=O)[C@@H]1CCCN1C(=O)OC(C)(C)C 25105514 OHJWQRZPBWHIGH-INIZCTEOSA-N 343.427 2.916 30 40 EFEB C=CCN(Cc1cccs1)C(=O)CCc1c(C)nc(C)[nH]c1=O 57809464 NFPNKLOHPDGSDD-UHFFFAOYSA-N 331.441 2.596 30 40 EFEB N#Cc1cc(F)c(N2CCC(NC(=O)c3ccoc3)CC2)c(F)c1 58218521 GBHNDRCATXMTED-UHFFFAOYSA-N 331.322 2.828 30 40 EFEB CC(=O)[C@H]1C[C@@H](O)[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3C[C@@H](O)[C@]12C 118929574 LCDAMWASKLSANR-FKGJNOFZSA-N 346.467 2.665 30 40 EFEB CC(=O)N(C)c1ccc(N/N=C2\C(=O)N(c3ccccc3)N=C2C)cc1 100251532 XEWSVYZZOOLUIC-UZYVYHOESA-N 349.394 2.860 30 40 EFEB C=CCOc1ccccc1/C=C1\SC(=S)N([C@H](C)C(=O)O)C1=O 4356863 NREPEKPAWJSBJE-PEHNMLCRSA-N 349.433 2.926 30 40 EFEB COc1cc(/C=C/C(=O)c2ccc3c(c2)NC(=O)CO3)cc(OC)c1 5335862 IVBPQGMTHWEHIE-HWKANZROSA-N 339.347 2.931 30 40 EFEB N/C(=N\OC(=O)Cc1ccc([N+](=O)[O-])cc1)c1ccccc1Cl 4551453 LKYMHZVIWHUNNQ-UHFFFAOYSA-N 333.731 2.654 30 40 EFEB C/C(=N\Nc1nc(C)cc(C)n1)c1ccc(N2CCOCC2)c(F)c1 7782784 VBJHMJKZBMDQKW-HYARGMPZSA-N 343.406 2.905 30 40 EFEB CC(=O)C1=C(O)C(=O)N(CCCCCC(=O)O)[C@H]1c1ccccc1F 18083459 PBOUNIDMOFWXRA-INIZCTEOSA-N 349.358 2.755 30 40 EFEB C=CCO[C@H](C)C(=O)NCC[C@H]1CCCN(C(=O)OC(C)(C)C)C1 69848722 PMEYXAKXNWHNED-HUUCEWRRSA-N 340.464 2.731 30 40 EFEB CCn1c(C)nnc1S[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O 97047671 QMECFLGKUUQWRM-OAHLLOKOSA-N 341.440 2.766 30 40 EFEB COC[C@@H](C)N/C(=N/Cc1ccccc1)NCCCCN1CCCC1 73552085 OZMNEYLIAZRWOT-GOSISDBHSA-N 346.519 2.633 30 40 EFEB Cc1ccc([C@H](C)NC(=O)C(=O)Nc2ccc(F)c(C#N)c2)s1 89656296 JCEZGEAJCJNWHY-JTQLQIEISA-N 331.372 2.883 30 40 EFEB N#Cc1ccc(N2CCC(COc3cc4c(nn3)CCCC4)CC2)nc1 1565522009 HHBPMBQYGKORMX-UHFFFAOYSA-N 349.438 2.917 30 40 EFEB Cc1ncccc1C(=O)NC1CCC(Oc2ccc(C#N)cn2)CC1 92034901 IXYKRPGQTJNANQ-UHFFFAOYSA-N 336.395 2.777 30 40 EFEB C=C(C)CN(CC)C(=O)Cc1ccc(S(=O)(=O)C(F)F)cc1 95400007 PANNFGVEZLPYAF-UHFFFAOYSA-N 331.384 2.650 30 40 EFEB N#Cc1ccc(CN2CCN(C(=O)c3cc(Cl)c[nH]3)CC2)c(F)c1 52160482 ZCHYZEDAFYPDDU-UHFFFAOYSA-N 346.793 2.637 30 40 EFEB CC1(C)CN(c2ccc(Br)cc2C#N)CC[S@]1=O 96501540 MGRVKNBCYIFGCL-SFHVURJKSA-N 327.247 2.668 30 40 EFEB CC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=N\Nc1ccccc1C#N 13574750 DBYAIHUDNMXNKT-SILNSSARSA-N 348.322 2.657 30 40 EFEB Cc1c(/N=C/c2ccc([N+](=O)[O-])o2)c(=O)n(-c2ccccc2)n1C 68730 YVLDMVLGMJEZAQ-LICLKQGHSA-N 326.312 2.736 30 40 EFEB CC1(C)Cc2c(C#N)c(NCCCO)nc(-c3ccco3)c2CO1 12437149 ATYFHFBUOIKGSE-UHFFFAOYSA-N 327.384 2.859 30 40 EFEB CC(=O)NCc1ccc(C(=O)[C@H](C#N)C(=O)c2ccc(C)s2)cc1 100871555 SZBOKCNUWNEZKF-HNNXBMFYSA-N 340.404 2.898 30 40 EFEB O/N=C/c1cc(Br)cc(I)c1O 1410803 QRCWMEMNMWXAIC-XCVCLJGOSA-N 341.930 2.567 30 40 EFEB C[C@@H]1COCCN1C(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1 58268872 WGYXSGZNTBPKJX-CYBMUJFWSA-N 338.367 2.998 30 40 EFEB N#Cc1cccc(/C=C/c2nc3ccccc3c(=O)n2CCC(=O)O)c1 29736921 XTOBCUOMQXVHFP-CMDGGOBGSA-N 345.358 2.913 30 40 EFEB CC(C)(C#N)C(=O)N1CCO[C@@H](c2ccc(Br)cc2)C1 49035816 MOHJNRMCHNCEIS-CYBMUJFWSA-N 337.217 2.899 30 40 EFEB N#Cc1ccc(OCC(=O)c2ccc3c(c2)NC(=O)CO3)c(Cl)c1 7856305 WQBZFDNURVEFDR-UHFFFAOYSA-N 342.738 2.804 30 40 EFEB N#Cc1ccccc1NC(=O)CSc1nncn1Cc1ccco1 9051283 JDXWYXAXUYNMTO-UHFFFAOYSA-N 339.380 2.522 30 40 EFEB C/N=C(/NCc1ccon1)NCc1cc(Cl)ccc1OC(F)F 96462448 DQPPIYGMEZSNOE-UHFFFAOYSA-N 344.749 2.795 30 40 EFEB N#C[C@H](NC(=O)c1[nH]ncc1Br)c1ccccc1Cl 77001702 VUQMONAOWBRIIL-JTQLQIEISA-N 339.580 2.820 30 40 EFEB C=CCc1cc(/C=C2/C(=O)NC(=O)N(c3ccccc3)C2=O)ccc1O 5830850 LQNXSPWPIITKLL-VBKFSLOCSA-N 348.358 2.787 30 40 EFEB N/C(=N\S(=O)(=O)c1cccs1)c1cc(Cl)nc(Cl)c1 33376834 JKOLOSSZDQDGAM-UHFFFAOYSA-N 336.225 2.544 30 40 EFEB COCCn1c(SCCC#N)nc2sc3c(c2c1=O)CCCC3 4285711 SXHNJPBXHJRRLY-UHFFFAOYSA-N 349.481 2.989 30 40 EFEB N#Cc1ccnc(N2CCN(c3ccc(-c4cccs4)nn3)CC2)c1 1888921983 NFOZOVIZTJVDTF-UHFFFAOYSA-N 348.435 2.798 30 40 EFEB N#Cc1ccccc1CN1C(=O)N[C@@]2(CCCc3sccc32)C1=O 12620739 RPFSEWFWHMNZOA-GOSISDBHSA-N 337.404 2.903 30 40 EFEB C=CCn1c(SCc2cn(C)nn2)nnc1-c1ccccc1OC 89756639 NKGBIGBXFBCTFM-UHFFFAOYSA-N 342.428 2.561 30 40 EFEB N#CCC(=O)Nc1ccc(C(=O)N2CCN(c3ccccc3)CC2)cc1 8203565 WMKAMZVXLACNLP-UHFFFAOYSA-N 348.406 2.501 30 40 EFEB C[C@H](NC(=O)CCC(=O)Nc1cccc(C#N)c1)C(=O)c1ccccc1 69457166 BKRZIUAZVCPNGS-AWEZNQCLSA-N 349.390 2.665 30 40 EFEB Cc1sc(Br)cc1S(=O)(=O)N[C@@H](C#N)C(C)C 94870597 KNMYCRLXFFAITD-QMMMGPOBSA-N 337.264 2.646 30 40 EFEB COc1ccc(C[C@@H](CO)CNc2cccc(F)c2C#N)cc1O 78338004 SNIZAFBUDUJNJX-CYBMUJFWSA-N 330.359 2.675 30 40 EFEB COc1ccc(CNC(=O)c2ccc(F)c(C#N)c2)cc1NC(C)=O 225453269 SICZQEFQTXEFGF-UHFFFAOYSA-N 341.342 2.594 30 40 EFEB Cc1cc(C)cc([C@H](O)C/N=C(/O)NCc2nccn2CC(C)C)c1 330031947 GMPGTIZVSGSSTR-QGZVFWFLSA-N 344.459 2.893 30 40 EFEB Cn1ncc(/C(O)=N/S(=O)(=O)CC2CCCC2)c1-c1ccccc1 96491251 VWLDHNBVHGLIDF-UHFFFAOYSA-N 347.440 2.912 30 40 EFEB Cc1ccc(Cc2n[nH]c(=NC(=O)N[C@@H]3CCC[C@H]3C#N)s2)cc1 613144508 ZPCCLGROZLGEIK-UONOGXRCSA-N 341.440 2.673 30 40 EFEB Cc1ccc(Oc2ccc(NCC(=O)NC3(C#N)CCC3)cc2)nn1 615166075 NBBMJGVECHJWNK-UHFFFAOYSA-N 337.383 2.552 30 40 EFEB CN(CCS(=O)(=O)c1ccc(C#N)cc1)Cc1ccc(F)cc1 81512305 WMNUFSUGOQZEPF-UHFFFAOYSA-N 332.400 2.603 30 40 EFEB N#Cc1nc(NC(=O)CCC(=O)c2csc3ccccc23)[nH]c1C#N 79071666 LSNMPUOACVITQN-UHFFFAOYSA-N 349.375 2.969 30 40 EFEB CCCNC(=O)[C@@H](C#N)C(=O)[C@H](C)Oc1ccccc1C(F)(F)F 100730482 QNNCAPLTGFUXDS-QWRGUYRKSA-N 342.317 2.708 30 40 EFEB N#C[C@@H](C(=O)NCc1ccccc1)C(=O)c1cncc2ccccc12 102099295 COHXZWMHZPRZEE-QGZVFWFLSA-N 329.359 2.874 30 40 EFEB N#Cc1cccc(C(=O)Nc2cc(C(N)=O)ccc2N2CCCC2)c1 22602141 KUNYSTIFDMYJSE-UHFFFAOYSA-N 334.379 2.510 30 40 EFEB O=C(O)COc1ccc(C(=O)/C=C/c2cccc3c2OCCO3)cc1 54802317 QBXFMBDPBKCXSO-RMKNXTFCSA-N 340.331 2.817 30 40 EFEB Cc1cc(/C=C/c2nc(C(=O)O)ccc2C#N)ccc1-n1cncn1 78931707 OTYNJQGYHPRFGD-GORDUTHDSA-N 331.335 2.711 30 40 EFEB COc1ccc(C[C@@H](C)N(C)CC(=O)N[C@@](C)(C#N)C(C)C)cc1 106579343 JIXPZCCRSLUOQH-BEFAXECRSA-N 331.460 2.612 30 40 EFEB O=C1[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@H]34)[C@H]2C(=O)N1/N=C\c1ccc(Cl)cc1 100199788 RJMHKOAACSZNAE-ZWJKAZIXSA-N 326.783 2.727 30 40 EFEB C=CCNC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(Cl)cc1 5262186 URFLWQXIXDMANY-KRWDZBQOSA-N 342.826 2.983 30 40 EFEB O=C(C[C@@](O)(c1ccco1)C(F)(F)F)NCC#Cc1ccccc1 14241849 FNWYHMWGBSBDQS-MRXNPFEDSA-N 337.297 2.588 30 40 EFEB C#CCNC(=O)CN(C)Cc1ccc2c(c1)c1ccccc1n2CC 7255878 UIQALLKRZMXUNL-UHFFFAOYSA-N 333.435 2.996 30 40 EFEB Cc1nc(C)n(C[C@@H]2CCCN(Cc3cn4ccccc4c3C#N)C2)n1 69820185 MBMGCBJEQNNXRD-QGZVFWFLSA-N 348.454 2.932 30 40 EFEB Cc1n[nH]c(/N=C(\O)Cc2cccc(I)c2)n1 83996388 USTAUSMVJGKGRC-UHFFFAOYSA-N 342.140 2.548 30 40 EFEB C#Cc1cccc(NC(=O)CN(C)c2nccc(C(F)(F)F)n2)c1 95429743 AYNNULNGCIGSRO-UHFFFAOYSA-N 334.301 2.552 30 40 EFEB COc1ccc(CN/N=C/c2cccc(OC)c2OC)cc1OC 20195984 SUUORKXSXARGIH-UDWIEESQSA-N 330.384 2.845 30 40 EFEB COc1ccc([C@H]2[C@H](S(=O)(=O)c3ccccc3)C2(C#N)C#N)cc1 218091099 GNNCNERTUXWPGJ-IRXDYDNUSA-N 338.388 2.668 30 40 EFEB C/N=C(/NCCC1CCCC1)NCc1ccc(C(=O)N(C)C)cc1 80524726 XOWCEVIPXMFYBT-UHFFFAOYSA-N 330.476 2.634 30 40 EFEB N#Cc1cccc(C(=O)N2CC(c3nc(-c4cccs4)no3)C2)c1 49483903 OSPIUYVEZMNYFI-UHFFFAOYSA-N 336.376 2.909 30 40 EFEB C=C(C)CN(CC)C(=O)NC[C@H]1CC(=O)N(C)[C@@H]1c1ccccc1 96500366 XIGMZBYINMLFOY-SJLPKXTDSA-N 329.444 2.814 30 40 EFEB Cc1cc(C)n(C[C@@H](C)CNC(=O)Nc2cccc(OCC#N)c2)n1 48509577 VKEKLFJIJWZOCW-ZDUSSCGKSA-N 341.415 2.860 30 40 EFEB CC(C)N(CC#N)Cc1cc2c(cc1Br)OCCO2 84597233 ACHNGJCGHLTMKV-UHFFFAOYSA-N 325.206 2.954 30 40 EFEB COc1ccc(C(=O)C2=C(O)C(=O)N[C@H]2c2ccc(F)cc2)cc1 16976576 ZOCJGFSHYFFSTH-HNNXBMFYSA-N 327.311 2.700 30 40 EFEB N#Cc1cccc(C(=O)NC[C@H]2CCCN(c3nccs3)C2)c1 206830228 QXTTWUAEHOSXAL-CQSZACIVSA-N 326.425 2.661 30 40 EFEB N#CCC[C@@H](C#N)CN1C(=O)N[C@@]2(CCCCc3ccccc32)C1=O 24981954 VWMVXQHEIIAREB-IFXJQAMLSA-N 336.395 2.604 30 40 EFEB C[C@H](Nc1ccc2c(c1)CCC(=O)N2)C(=O)Nc1sccc1C#N 27019550 PXQPMWROURSMPY-JTQLQIEISA-N 340.408 2.944 30 40 EFEB C=CCN(Cc1ccc(OC)cc1)C(=O)CNC(=O)C1CCCC1 58343450 SXWHEALIMUBRAR-UHFFFAOYSA-N 330.428 2.516 30 40 EFEB C=CCn1nnc(NC(=O)/C=C/c2ccc(-c3ccc(F)cc3)o2)n1 10010803 LRHWLACNAYWGDR-CSKARUKUSA-N 339.330 2.910 30 40 EFEB CN(CCOc1ccc(Cl)cc1)CC(=O)NC1(C#N)CCCCC1 12984891 YSYUVQKTPXJZGO-UHFFFAOYSA-N 349.862 2.993 30 40 EFEB Cn1cc(/C=C/C(=O)c2ccc(I)cc2)cn1 6828136 SRCCVOMPQNRYHX-FARCUNLSSA-N 338.148 2.921 30 40 EFEB COCCOc1cccc(C(=O)N[C@@H](C#N)c2ccc(F)cc2F)c1 68419141 FZLVSAHBAYTIQP-KRWDZBQOSA-N 346.333 2.985 30 40 EFEB Cn1ccnc1[C@@](O)(CCNc1cccc(F)c1C#N)C(F)(F)F 69416216 MEYZVOSUPZOTOL-AWEZNQCLSA-N 342.296 2.683 30 40 EFEB COC(=O)c1cccn2cc(CN(C)Cc3ccc(C#N)cc3)nc12 69618164 NTSDQLSEECOHHC-UHFFFAOYSA-N 334.379 2.625 30 40 EFEB C=CCOc1ccc(NC(=O)C(=O)NCc2ccc(OC)cc2)cc1 408707747 DIGFPNIAQRACOR-UHFFFAOYSA-N 340.379 2.515 30 40 EFEB C#CCN1CCCC[C@H]1C(=O)N1CCS[C@H](c2ccccc2)C1 72287516 WXDVASVSLJUXQA-ROUUACIJSA-N 328.481 2.791 30 40 EFEB Cc1cccc(NC(=O)CCNc2ccc([N+](=O)[O-])c(C#N)c2)n1 97144673 UUXWJGAFTPPTOE-UHFFFAOYSA-N 325.328 2.611 30 40 EFEB CCN(C[C@@H](C)C#N)C(=O)Nc1ccc(N2CCO[C@H](C)C2)cc1 72309901 DUNSIKNNUVUKSC-LSDHHAIUSA-N 330.432 2.925 30 40 EFEB C[C@H](NCc1cc(C#N)ccc1F)c1ccc(S(C)(=O)=O)cc1 95348737 YMMFUSHDRQLXEC-LBPRGKRZSA-N 332.400 2.952 30 40 EFEB Cc1nc2cc(C(=O)N3CCOC[C@@H]3C#N)ccc2n1-c1ccccc1 76042258 KZFGEQXGPCFINW-KRWDZBQOSA-N 346.390 2.699 30 40 EFEB C=CCNS(=O)(=O)c1ccc(NC2CCCCC2)c(C(=O)O)c1 217567989 JXMPZOIPSNIQBG-UHFFFAOYSA-N 338.429 2.594 30 40 EFEB C=CC[C@]1(C(=O)OC)C(=O)C[C@@H]2CC[C@H]1N2Cc1cccc(OC)c1 72340216 CGIDQQOEELFCCF-XAUMDUMWSA-N 343.423 2.737 30 40 EFEB C[C@@H](Nc1ccc(OCc2cccnc2)cc1)C(=O)N(C)CCC#N 79030603 IQBAVXUSCRBSIZ-OAHLLOKOSA-N 338.411 2.833 30 40 EFEB C=C[C@@H](CC(=O)N[C@@H]1CCCN(c2cnn(C)c2)C1)c1ccccc1 195546377 CDJPKISRSFLQSZ-FUHWJXTLSA-N 338.455 2.865 30 40 EFEB N#Cc1cccc(CN2CCC3(CC2)C[C@@H](c2ccncc2)C(=O)N3)c1 96199542 KZMZAOYXWNQBQM-IBGZPJMESA-N 346.434 2.592 30 40 EFEB C=CCNS(=O)(=O)Cc1ccc(NC(=O)[C@H]2C[C@H]3CC[C@H]2C3)cc1 106648576 FQIQOQYJLXKAON-ZOBUZTSGSA-N 348.468 2.667 30 40 EFEB CSc1ncc(C#N)c(N2CCC(N(C)c3ccccn3)CC2)n1 1889089300 HTEDQRNMUVHNKH-UHFFFAOYSA-N 340.456 2.570 30 40 EFEB O=c1nc(N/N=C/c2ccc(Cl)cc2)[nH]nc1Cc1ccccc1 9109281 LHGMMOICWPZOQL-YBFXNURJSA-N 339.786 2.855 30 40 EFEB COC(=O)COc1ccc2c(c1)O/C(=C\c1cccc(F)c1)C2=O 5184528 IJYGXQQCFUDNHR-PXNMLYILSA-N 328.295 2.994 30 40 EFEB C=CCN1C(=O)[C@H](C)S/C1=N/S(=O)(=O)c1ccc(Cl)cc1 100887860 WOTXYJUJKKQKRL-HRYUNSTCSA-N 344.845 2.535 30 40 EFEB CNC(=O)[C@H](C#N)C(=O)c1ccc(F)c(COc2ccc(F)cc2)c1 101372540 MMJMKVMCWAGZTO-OAHLLOKOSA-N 344.317 2.612 30 40 EFEB Cn1cc(C(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)cn1 55771905 QLFCYPXNPVRFEZ-UHFFFAOYSA-N 345.362 2.796 30 40 EFEB COc1ccc(OC)c2c1CN(Cc1ccc(C#N)cc1F)C[C@@H]2O 26160188 UWZHSXVHXSREQX-INIZCTEOSA-N 342.370 2.764 30 40 EFEB C#CCN(C(=O)NCCC(=O)Nc1cccc(C)n1)C1CCCCC1 72230659 NYMAMVBXGOLFLO-UHFFFAOYSA-N 342.443 2.696 30 40 EFEB COc1cc(C#N)ccc1OCC(=O)NCCc1cc(F)cc(F)c1 58329050 MROYQFDFWPBMOX-UHFFFAOYSA-N 346.333 2.583 30 40 EFEB CCN(C[C@H](C)C#N)S(=O)(=O)c1ccc(Br)cc1F 97163087 ALOQYRVCHIFSGN-SECBINFHSA-N 349.225 2.758 30 40 EFEB CC(C)c1noc(CN2CCN(c3cccc(F)c3C#N)CC2)n1 29860173 YIHMUVQMMRCTNC-UHFFFAOYSA-N 329.379 2.526 30 40 EFEB C[C@H](OC(=O)c1ccc(C#N)cc1)C(=O)Nc1ccc(Cl)cn1 3474446 QOEXNRJAXWIUQV-JTQLQIEISA-N 329.743 2.791 30 40 EFEB Cc1ccc(C(=O)N2CSC[C@@H]2C(=O)Nc2ccc(C#N)cc2)o1 65548926 SGASLFJUMIXUQP-CQSZACIVSA-N 341.392 2.614 30 40 EFEB COc1ccccc1-c1nn(CN(CCC#N)CCC#N)c(=S)o1 14231790 CMJFIVJCOOXTGM-UHFFFAOYSA-N 343.412 2.968 30 40 EFEB CN(c1ccc(C#N)cn1)[C@H]1CCN(c2ccccc2Cl)C1=O 71902748 WWJDEBGWKCNCJE-HNNXBMFYSA-N 326.787 2.848 30 40 EFEB CCc1nn(C[C@H](O)c2ccc(Cl)cc2)c(=O)c(C#N)c1CC 69771619 VBKMHIBPSADRBP-INIZCTEOSA-N 331.803 2.627 30 40 EFEB C#CCN(C(=O)c1cnn(-c2ccc(F)cc2F)c1)c1nccs1 95441306 OTLJWSDYMHCZNW-UHFFFAOYSA-N 344.346 2.887 30 40 EFEB COc1ccc(OC)c([C@@H]2C3=C(CCCC3=O)Nc3[nH]nc(O)c32)c1 18195554 LRNRSANGZINTIT-CQSZACIVSA-N 341.367 2.697 30 40 EFEB N#Cc1cc(C(F)(F)F)ccc1NC[C@H]1COC2(CCOCC2)O1 95990663 HYEXAXMWJPJRRE-ZDUSSCGKSA-N 342.317 2.911 30 40 EFEB N#C[C@@H](NC(=O)CCOC1CCOCC1)c1c(F)cccc1Cl 95964540 IZXGXQZIHOTFBW-CQSZACIVSA-N 340.782 2.746 30 40 EFEB O=C(NCC#CCN1CCc2ccccc2C1)c1ccc2cc[nH]c2c1 75165052 YWGCDSFUVQJHGD-UHFFFAOYSA-N 343.430 2.959 30 40 EFEB C=CCCS(=O)(=O)N1CCC[C@H](c2nc3ccc(C)cc3[nH]2)C1 96500827 CMCSXPJMQQVBJX-AWEZNQCLSA-N 333.457 2.957 30 40 EFEB N#CCN1CCC[C@H](c2cccc(Nc3nc(C(=O)O)cs3)n2)C1 585290784 FPXJWAGRBGYVNR-NSHDSACASA-N 343.412 2.683 30 40 EFEB C[C@H](OC(=O)c1ccc(C#N)cc1)C(=O)N1CCc2ccccc2C1 5507081 LJKRVPODCVKKRY-AWEZNQCLSA-N 334.375 2.688 30 40 EFEB Cc1nnc(S)n1/N=C/c1ccc(-c2cccc([N+](=O)[O-])c2)o1 8227860 NTSQNXMATYUZQZ-OVCLIPMQSA-N 329.341 2.926 30 40 EFEB Cc1nc(N2CCC(C#N)(c3ccccc3)CC2)c2cnn(C)c2n1 1888922169 OKPSDMSWARZGCI-UHFFFAOYSA-N 332.411 2.734 30 40 EFEB C=CCNC(=O)Cc1csc(NC(=O)Nc2cccc(C)c2)n1 9784678 RRTHXFGSLVHBKC-UHFFFAOYSA-N 330.413 2.940 30 40 EFEB N#Cc1ccc(C(=O)OCC(=O)NCCc2ccc(Cl)cc2)cc1 3474238 XGFKYXYIUIPADQ-UHFFFAOYSA-N 342.782 2.727 30 40 EFEB N#Cc1cccnc1N1CCC(CNC(=O)Cc2cccs2)CC1 70929045 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N#CC1(NC(=O)C2CCC(NC(=O)C3CCCC3)CC2)CCCC1 69560623 SAJQQOZGKCERQF-UHFFFAOYSA-N 331.460 2.804 30 40 EFEB C=CCN(CC=C)C(=O)COC(=O)[C@H]1SCCc2ccccc21 76091661 XJIMJXUYAQXEMG-KRWDZBQOSA-N 331.437 2.761 30 40 EFEB CCN/C(S)=N/N=C\c1cc(Br)c(OC)c(OC)c1 33613184 LPSSPCGRRBLDCF-CHHVJCJISA-N 346.250 2.696 30 40 EFEB CN(/C(N)=N/C[C@@H](c1cccc(C(F)(F)F)c1)N(C)C)C1CC1 183891250 XXSSFUNMJPMGSW-AWEZNQCLSA-N 328.382 2.717 30 40 EFEB N#C[C@@H](C(=O)[C@@H]1CC(=O)N(C2CCCCCC2)C1)c1ccccn1 78611935 KQXHUNCTFLAXCC-GDBMZVCRSA-N 325.412 2.829 30 40 EFEB CCc1ccc([C@@H]2[C@H](S(=O)(=O)c3ccccc3)[C@@]2(C#N)C=O)cc1 225661079 FFZBHABZJUTCEQ-QYZOEREBSA-N 339.416 2.898 30 40 EFEB Cc1cc(=O)[nH]c(N/N=C/C(Br)=C/c2ccccc2)n1 5212311 OHJACOAECIFSPB-OOBCCFMBSA-N 333.189 2.912 30 40 EFEB CCOc1cc(/C=N\N2CCN(Cc3ccccc3)CC2)ccc1O 19771483 DJFJAVMDRWMJLC-QNGOZBTKSA-N 339.439 2.943 30 40 EFEB C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)CNc1cccc(C#N)c1 11253517 PZQKAAXJSONOIY-CYBMUJFWSA-N 334.379 2.734 30 40 EFEB C=CCn1c(C)cc(C(=O)COC(=O)c2c(C)cc(=O)oc2C)c1C 16313935 PPELXKYSYNPRTC-UHFFFAOYSA-N 343.379 2.901 30 40 EFEB N#Cc1c(N)n(-c2cccc([N+](=O)[O-])c2)c2nc3ccccc3nc12 493046 VESDQBAICXOADC-UHFFFAOYSA-N 330.307 2.936 30 40 EFEB CS(=O)(=O)c1cccc2c1CCCN2C(=O)c1cccc(C#N)c1 58280253 LJUHOPZZGOEEAG-UHFFFAOYSA-N 340.404 2.555 30 40 EFEB N#CCN(CC#N)C(=O)CCN(Cc1c(F)cccc1Cl)C1CC1 58267372 WKPPMKHZSJHFAO-UHFFFAOYSA-N 348.809 2.709 30 40 EFEB CN(Cc1cccc(C#N)c1)C(=O)CN1CCc2sccc2C1 58324743 KEYGBTFJYAQKKI-UHFFFAOYSA-N 325.437 2.636 30 40 EFEB C[C@H](Oc1cccnc1[N+](=O)[O-])C(=O)N(CCC#N)c1ccccc1 12737850 ULJWWQMOULPXPR-ZDUSSCGKSA-N 340.339 2.704 30 40 EFEB N#Cc1ccsc1NC(=O)COC(=O)/C=C/c1cccc(F)c1 3346363 PFHPYLQEJSZQPL-SNAWJCMRSA-N 330.340 2.954 30 40 EFEB COC(=O)[C@H](c1cccc(C#N)c1)N1CC[C@H](Nc2ccccc2)C1 83170310 URIUCAPNMMXLIS-OALUTQOASA-N 335.407 2.959 30 40 EFEB C=CCN(c1ccccc1OC)S(=O)(=O)c1cccc(C(=O)O)c1 3884872 YOWAKVHAWVVKOZ-UHFFFAOYSA-N 347.392 2.775 30 40 EFEB N#CCCn1ncc2c(NCCc3cccc4cccnc34)ncnc21 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Cc1cn2nc(OCC3CCN(c4cccc(C#N)n4)CC3)ccc2n1 1888869982 FSUCODFZTPWLRL-UHFFFAOYSA-N 348.410 2.600 30 40 EFEB C=CCS/C(=N\n1cnc2ccccc2c1=O)N1CCCCC1 2189955 KEVDOQFNIBBHDJ-ZPHPHTNESA-N 328.441 2.921 30 40 EFEB N#Cc1cccc(C(=O)OCc2cc(=O)n3cc(Cl)ccc3n2)c1 32747256 NRXGGFXGEXELAS-UHFFFAOYSA-N 339.738 2.577 30 40 EFEB C=CCN1C(=O)/C(=C/c2cn(C)c3ccccc23)C(O)=NC1=S 444898 RFETVMLQILOEQN-UKTHLTGXSA-N 325.393 2.831 30 40 EFEB C#CCCCCC(=O)Nc1cn(CC)cc(Br)c1=O 97114670 ZSMZLGXIUMCYPI-UHFFFAOYSA-N 325.206 2.763 30 40 EFEB N#Cc1cccc(NC(=O)NC2CCN(CCc3ccncc3)CC2)c1 58245821 PLJIDHABZQMSOM-UHFFFAOYSA-N 349.438 2.782 30 40 EFEB CC(C)Nc1nnc(S[C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C)s1 3407116 CTQRSVIJSNPLMF-HZMBPMFUSA-N 341.506 2.893 30 40 EFEB C=CCNc1nc(C(=O)OCC(=O)c2cc(C)n(C)c2C)cs1 3568777 LUVXMYLWUCBLAQ-UHFFFAOYSA-N 333.413 2.736 30 40 EFEB O=C1C[N+]([O-])=Cc2[nH]c3ccccc3c2N1c1ccc([N+](=O)[O-])cc1 3904862 YGIVIBOYUKPNKV-UHFFFAOYSA-N 336.307 2.684 30 40 EFEB Cc1nc(SCC(=O)N(C)CCC#N)c2c3c(sc2n1)CCC3 6113973 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30 40 EFEB C=CCn1cc(CN2C[C@@H]3CCCN3C[C@@H]2CCSC)c(C)n1 19552334 OSUHMXPDIOQWOQ-ROUUACIJSA-N 334.533 2.779 30 40 EFEB COc1ccc([C@@H]2Nc3nonc3NC3=C2C(=O)CCC3)c(OC)c1 20733939 YCYGNPNJTKDLGH-HNNXBMFYSA-N 342.355 2.673 30 40 EFEB C[C@@H]1CCC[C@@H](C)N1C(=O)COc1ccc(C(=O)OCC#N)cc1 12670653 QPVSIAQZCNUZHZ-ZIAGYGMSSA-N 330.384 2.535 30 40 EFEB C=CCNc1nc(C(=O)OCC(=O)NC2CCC(C)CC2)cs1 3508759 FHZKAKWJSCJRPU-UHFFFAOYSA-N 337.445 2.593 30 40 EFEB CS(=O)(=O)Nc1cccc(C(=O)/C=C/c2cccc3c2OCO3)c1 65565296 RMOLBEYHHWJEEI-CMDGGOBGSA-N 345.376 2.683 30 40 EFEB C#CCCN1CCC(NC(=O)c2nc(Cl)ccc2Cl)CC1 71916664 VIOZXKGRHPXALI-UHFFFAOYSA-N 326.227 2.606 30 40 EFEB N#CCCN(Cc1ccccn1)C(=O)C1=NO[C@@H](c2ccccc2)C1 69511908 KTTXAWCTYLVTHA-GOSISDBHSA-N 334.379 2.841 30 40 EFEB Cc1cc(I)ccc1NC(=O)NC[C@H](C)C#N 84093255 ZMKFGAMNVWRQBQ-MRVPVSSYSA-N 343.168 2.881 30 40 EFEB C=CCOc1cccc(/C=C2\SC(=S)N(CC(=O)O)C2=O)c1 409338999 CZHKREVOKOUMOT-WQLSENKSSA-N 335.406 2.537 30 40 EFEB Cc1n[nH]c(=S)n1/N=C/c1ccc(Br)c([N+](=O)[O-])c1 45926790 PFCSKYHTDOYLCL-LFYBBSHMSA-N 342.178 2.802 30 40 EFEB C[C@@H]([C@H](C)c1ccc(Cl)cc1)N(C)S(=O)(=O)N(C)CCC#N 96446712 CUXJAZZSOSHRCH-STQMWFEESA-N 343.880 2.854 30 40 EFEB N#Cc1ccc(NC[C@H]2CCN(c3ncnc4sccc34)C2)nc1 97200922 BAWWALZHFPVSNW-CYBMUJFWSA-N 336.424 2.896 30 40 EFEB N#Cc1cccc(CN2CC[C@H]3[C@H]2CCN3C(=O)c2cscn2)c1 96184573 QMPKWTQIVRCZBB-SJORKVTESA-N 338.436 2.504 30 40 EFEB C[C@@H](NC(=O)NCCN(C)C(=O)OC(C)(C)C)c1ccc(C#N)cc1 71803922 OQJBECLBSXUWNB-CYBMUJFWSA-N 346.431 2.785 30 40 EFEB C#C[C@@]1(O)[C@H]2CCc3cc(OC)ccc3[C@@H]2CC[C@@]1(C)C(=O)OC 5029360 RZOOJWWRPOWKMX-QGZVKYPTSA-N 328.408 2.679 30 40 EFEB CC1=CC(=O)C[C@@H]2[C@]1(O)CC[C@H](C)[C@]21C[C@H](c2ccoc2)OC1=O 230017823 DLHZVTVUHATYAU-WVMUAMTGSA-N 330.380 2.950 30 40 EFEB biogenic,in-vitro CCCCCCC[C@@]1(C(=O)OCC)C[C@H](CSC(=N)N)OC1=O 100565119 ABCDBOKKOWMMLP-WBMJQRKESA-N 344.477 2.839 30 40 EFEB Cc1cc(Cl)ccc1NC(=O)CSc1nc(=O)[nH]c(C)c1C#N 32776375 UEINJXJVLLATIY-UHFFFAOYSA-N 348.815 2.643 30 40 EFEB COc1ccc(COC/C(O)=N/c2nc(-c3ccccn3)n[nH]2)cc1 53528196 WRXTUAAQBXFKAL-UHFFFAOYSA-N 339.355 2.680 30 40 EFEB c1ccc(CO[C@H]2O[C@H]3CO[C@H](c4ccccc4)O[C@H]3[C@@H]3O[C@H]23)cc1 6339552 AOZVSPOPQDFUMI-XSEPRYCASA-N 340.375 2.810 30 40 EFEB COc1cc(C)c(S(=O)(=O)Cc2ccc(C#N)cc2)cc1OC 69885277 NGXYTGSJMGWGCS-UHFFFAOYSA-N 331.393 2.858 30 40 EFEB Cn1cc(C#N)cc1C(=O)N1CCC[C@@H]1c1nc(-c2ccccc2)n[nH]1 95448239 IBUPYXJZTFYNRZ-OAHLLOKOSA-N 346.394 2.659 30 40 EFEB CCCC/N=C(\NCc1ccc(S(C)(=O)=O)cc1)NCC(C)C 73315475 PZJMEEBVYPQLRC-UHFFFAOYSA-N 339.505 2.581 30 40 EFEB Cc1csc([C@H](C#N)C(=O)[C@@H]2CCCN(C(=O)C(C)(C)C)C2)n1 71803518 FZFGWQPYVGMHDW-CHWSQXEVSA-N 333.457 2.913 30 40 EFEB C=CCSc1nc2c(c(=O)[nH]c(=O)n2C)n1CCCCCCC 8397432 COAXVSXXPWOSFB-UHFFFAOYSA-N 336.461 2.672 30 40 EFEB CS(=O)(=O)c1ccccc1NC(=O)CSc1ccc(C#N)cc1 69562473 UWQJEKAQHQVOTK-UHFFFAOYSA-N 346.433 2.693 30 40 EFEB N#CC1(NC(=O)[C@H]2C[C@@H]2c2cccc(F)c2)CCC2(CC1)OCCO2 69874484 SKPVTNUDIHQIMI-CVEARBPZSA-N 344.386 2.625 30 40 EFEB C[C@@H](C/C(O)=N/S(=O)(=O)c1cccc2nsnc12)C1CC1 89894546 MIKFPMSIWZWKKH-QMMMGPOBSA-N 325.415 2.773 30 40 EFEB C=CCNC(=O)[C@@H](C)N1CCC[C@H](c2nc(-c3ccccc3)c[nH]2)C1 75612306 HHPRLMZFYGWVFF-WBVHZDCISA-N 338.455 2.947 30 40 EFEB C=CCN(C)C(=O)N[C@H](C)c1cc(F)ccc1N1CCN(CC)CC1 119066526 QNTLFBHVRBDAFA-OAHLLOKOSA-N 348.466 2.856 30 40 EFEB CC(=O)Nc1ccc(S(=O)(=O)N(C)c2ccc(CC#N)cc2)cc1 224896468 UGDGEGSTHOANAV-UHFFFAOYSA-N 343.408 2.536 30 40 EFEB C=CCNC(=S)Nc1nc(Cl)cc(N2CCC[C@H](C)C2)n1 260712573 JHYFDDDVSGPCQZ-JTQLQIEISA-N 325.869 2.839 30 40 EFEB C[C@@H]1Oc2c(cccc2C(=O)[C@@H](C#N)c2nc3ccccc3[nH]2)NC1=O 390834634 JVCRYSNRRIQKKK-CMPLNLGQSA-N 346.346 2.772 30 40 EFEB CC[C@H](C)NC(=O)C1CCN(c2oc(-c3ccco3)nc2C#N)CC1 40511877 GRAVTWFBXMTXMO-LBPRGKRZSA-N 342.399 2.937 30 40 EFEB N#Cc1ccc(OCCOC(=O)c2cncc(Br)c2)cc1 41103723 UOGFOOFTZVANNR-UHFFFAOYSA-N 347.168 2.952 30 40 EFEB N#C[C@@H](C(=O)[C@H]1CC(=O)N(C2CCCC2)C1)c1nc2ccccc2o1 41544775 WCUWBPVHQRFRFM-JSGCOSHPSA-N 337.379 2.795 30 40 EFEB Cc1cccc(C2(C(=O)N3CCN(c4cc(C#N)ccn4)CC3)CC2)c1 53298386 ADVKUJIIEPPPLG-UHFFFAOYSA-N 346.434 2.642 30 40 EFEB O=[N+]([O-])c1ccc(N/N=C\c2cc(Br)ccc2O)nc1 4721870 ZQIADEYGHBCJQP-UUASQNMZSA-N 337.133 2.904 30 40 EFEB O=C(NCC#Cc1ccccc1)N1CCC(N2CCCCC2)CC1 45430943 CQUAXQHPUHJLDF-UHFFFAOYSA-N 325.456 2.698 30 40 EFEB Cc1nn(CCC#N)c(C)c1CCC(=O)N1CCO[C@@H]2CCCC[C@@H]21 46490293 FJOUHHCUADRQRK-ZWKOTPCHSA-N 344.459 2.516 30 40 EFEB COc1ccc(C(=O)NCCNc2cccc(F)c2C#N)c(OC)c1 47341184 PRABXAFPNJTZCR-UHFFFAOYSA-N 343.358 2.556 30 40 EFEB CS[C@H]1C(C(=O)c2ccccc2)=C(CC(=O)O)C(=O)N1CC(C)C 62716432 KIPJCOMPSBCCDD-SFHVURJKSA-N 347.436 2.828 30 40 EFEB N#CCCN(C(=O)[C@@H]1SCCc2ccccc21)C1CCOCC1 80024816 QCVXLXHIYMBNTQ-QGZVFWFLSA-N 330.453 2.938 30 40 EFEB N#Cc1cccnc1NS(=O)(=O)c1ccccc1Br 97104528 AFFNKJAAMZWISD-UHFFFAOYSA-N 338.186 2.517 30 40 EFEB O=C1[C@H]2[C@@H]3C=C[C@H]([C@@H]4C[C@H]34)[C@H]2C(=O)N1/N=C/c1ccc(Cl)cc1 222250662 RJMHKOAACSZNAE-MSCHATCRSA-N 326.783 2.727 30 40 EFEB N#CC1(C(=O)N[C@@H]2CCCN(Cc3ccccc3)C2=O)CCCCC1 95445800 CJRZYNUMNBKBIB-QGZVFWFLSA-N 339.439 2.768 30 40 EFEB COc1ccc(C)cc1NC(=O)[C@@H]1CCCN1c1ccc(C#N)cn1 96410290 BQOZNGSHOOKEOE-INIZCTEOSA-N 336.395 2.878 30 40 EFEB CS(C)(=O)=Nc1ccccc1NCC(=O)NC1(C#N)CCCCC1 585137065 GFXCLXCMSAPHPB-UHFFFAOYSA-N 348.472 2.800 30 40 EFEB C=CCOc1ccccc1C(=O)Nc1cccc(-c2nnnn2C)c1 30625522 WSMUSHJOBPXFAF-UHFFFAOYSA-N 335.367 2.694 30 40 EFEB CC[C@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)CN(C)C(=O)OC)cc1 102898547 FNLYXVGLNRZJFZ-SWLSCSKDSA-N 345.399 2.546 30 40 EFEB COc1cccc([C@@H]2CC(=O)N(N(C)C)C3=C2C(=O)CCC3)c1OC 1429508 DGGXANABHRGTQI-ZDUSSCGKSA-N 344.411 2.503 30 40 EFEB Cc1oc(-n2cccc2)c(C#N)c1C(=O)NCc1ccc2c(c1)OCO2 19676582 RIVIBVCOOLUCTK-UHFFFAOYSA-N 349.346 2.909 30 40 EFEB C=C(Br)CNC(=O)Nc1cccc(Cn2cccn2)c1 49300397 GZCNRQIFNSSZOE-UHFFFAOYSA-N 335.205 2.962 30 40 EFEB N#Cc1ccc(NC[C@H]2CCN(c3nccc(C(F)(F)F)n3)C2)nc1 65464658 VHMYVXRRJUQAFK-GFCCVEGCSA-N 348.332 2.700 30 40 EFEB C=CCN(C(=O)Cn1cnc2ccsc2c1=O)c1ccccc1 14140606 SHYMEHNVPIEUKN-UHFFFAOYSA-N 325.393 2.677 30 40 EFEB COc1cc([C@H](C#N)NC(=O)/C=C/c2ccco2)cc(OC)c1OC 96403690 QFNPAAGNKBZZCN-UZYOAWRESA-N 342.351 2.700 30 40 EFEB C[C@@H](Oc1ccc(C#N)cc1)C(=O)NCc1ccccc1CN(C)C 6993008 BQEMGDOYIQHQES-OAHLLOKOSA-N 337.423 2.704 30 40 EFEB C[C@H](Cn1cncn1)NC(=O)c1ccccc1Oc1ccccc1C#N 97047213 WKPJUBJWHKKBOR-CQSZACIVSA-N 347.378 2.761 30 40 EFEB N#CC1(NC(=O)COc2cc(Cl)cc(Cl)c2)CCOCC1 76066290 OJIQFWMTMCEDDY-UHFFFAOYSA-N 329.183 2.561 30 40 EFEB Cc1ccc([C@H]2[C@@H](S(=O)(=O)c3ccccc3)[C@@]2(C#N)C(=O)O)cc1 218357804 KFNIFYYPNXYJQI-JZXOWHBKSA-N 341.388 2.529 30 40 EFEB CC(C)c1ccc(CN2CCN(C(=O)CSCC#N)CC2)cc1 41775642 HVLRENXNTKZSOA-UHFFFAOYSA-N 331.485 2.711 30 40 EFEB N#Cc1ccc(/C=C/C(=O)N2CCC[C@H]2c2nnc3ccccn23)cc1 31503432 WHCOJYQLTNQVPF-DVQDXYAYSA-N 343.390 2.978 30 40 EFEB CCCCCC[C@@H](C)NC(=O)CSc1nc(N)cc(N)c1C#N 32776249 NXYQZBTVHKJAJP-LLVKDONJSA-N 335.477 2.685 30 40 EFEB CC(C)N1C(=O)/C(=N\NC(=S)Nc2cccnc2)c2ccccc21 105508741 RDUNEXQLUAKHLJ-HKWRFOASSA-N 339.424 2.527 30 40 EFEB Cc1ccc(F)c(NC(=O)COC(=O)c2ccc(C#N)cc2F)c1 8369939 UEXZFFNGYLPYBD-UHFFFAOYSA-N 330.290 2.940 30 40 EFEB CN(C)C(=O)C[C@@H](NC(=O)Nc1cccc(C#N)c1)c1ccccc1 58014972 JKXRZOMPDFDKEY-QGZVFWFLSA-N 336.395 2.899 30 40 EFEB N#Cc1nc(-c2ccco2)oc1N1CCN(Cc2cccnc2)CC1 46512057 MLHOUKDIJYSACJ-UHFFFAOYSA-N 335.367 2.523 30 40 EFEB N=c1[nH]nc(-c2cccc(/N=C/c3cc([N+](=O)[O-])ccc3O)c2)s1 408718304 RAMRFMURHPZHAW-CAOOACKPSA-N 341.352 2.982 30 40 EFEB N#Cc1ccc(S(=O)(=O)Oc2cccc(-n3ccnc3)c2)cc1 71915753 DYEWXQHWFZTPJG-UHFFFAOYSA-N 325.349 2.512 30 40 EFEB N#Cc1cc(NC[C@@H]2CCCO2)cc(NC[C@H]2CCCO2)c1[N+](=O)[O-] 71913832 RFHIARYSFWPZIO-LSDHHAIUSA-N 346.387 2.648 30 40 EFEB CC(C)(C)NC(=O)C1CCN(c2oc(-c3ccco3)nc2C#N)CC1 32967622 CEDAETGYHWFCIK-UHFFFAOYSA-N 342.399 2.937 30 40 EFEB COc1ccc(C/C(O)=N/S(=O)(=O)CCc2ccccc2)cc1 79330614 ALLWLXQRJMVNOF-UHFFFAOYSA-N 333.409 2.767 30 40 EFEB C[C@@H](Nc1cccc(NC(=O)c2ccoc2)c1)C(=O)N(C)CCC#N 79030280 MSQUSOXDAOZKIK-CYBMUJFWSA-N 340.383 2.704 30 40 EFEB CC/N=C(\NCc1nc(C)no1)NC[C@@H](C)c1ccc(F)c(F)c1 96450228 RLNXWWAILNAHBI-SNVBAGLBSA-N 337.374 2.515 30 40 EFEB C/N=C(/NCC1(C(=O)N(C)C)CCCC1)N[C@H](C)c1ccccc1 96461880 OXBYXQWQYMJUNT-OAHLLOKOSA-N 330.476 2.561 30 40 EFEB Cc1cc(N2CCCC2)ccc1NC(=O)CN(C)c1ccc(C#N)cn1 40556346 HWQYCFJJARXEOZ-UHFFFAOYSA-N 349.438 2.937 30 40 EFEB CSc1nc(C2CC2)cc(C(=O)N2C[C@H](C)O[C@H](C)C2)c1C#N 53675024 VNKLBJLCAHVFLT-PHIMTYICSA-N 331.441 2.802 30 40 EFEB CNC(=O)[C@@H]1CCCN(c2cc(C)c(C#N)c3nc4ccccc4n23)C1 78619686 CASCXIRXDFXXFC-CQSZACIVSA-N 347.422 2.630 30 40 EFEB N#CCc1ccc(NC(=O)CCCN2C(=O)c3ccccc3C2=O)cc1 8125919 KYKKWAVYFQIBHJ-UHFFFAOYSA-N 347.374 2.768 30 40 EFEB C[C@]12CC(=O)[C@]3(F)[C@H](CCC4=CC(=O)C=C[C@@]43C)[C@@H]1CCC(=O)O2 8616254 YIGCZRBQSHBYRL-AQQQZIQISA-N 332.371 2.861 30 40 EFEB biogenic O=[N+]([O-])c1cccc(/C=N\Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1 100480836 KUCJIFOCYPORBJ-ZSOIEALJSA-N 331.244 2.857 30 40 EFEB CS(=O)(=O)/N=C(\O)c1cccc(-n2nccc2-c2ccccc2)c1 63234214 PLTNJHROOYPDOS-UHFFFAOYSA-N 341.392 2.804 30 40 EFEB C(=N/Nc1nc(N2CCCC2)nc(N2CCCC2)n1)\c1ccccc1 4477996 UDRHHQNRNWQTPU-XMHGGMMESA-N 337.431 2.518 30 40 EFEB C#CCOc1ccc(/C=C2/NC(=O)N(c3ccccc3)C2=O)cc1OC 4698983 CLOCFWMDPOTPFS-FOWTUZBSSA-N 348.358 2.805 30 40 EFEB C=CCSc1nc2c(c(=O)[nH]1)[C@@H](c1ccccc1OC)CC(=O)N2 4944305 WMPWXEIPPGFPHS-LLVKDONJSA-N 343.408 2.531 30 40 EFEB N#C[C@@H](C(=O)NCc1ccccc1)C(=O)c1coc(Br)c1 126925803 TYLLFXZIWCTGEN-GFCCVEGCSA-N 347.168 2.681 30 40 EFEB CC[C@@H](/C(=N/O)c1ccc(Br)cc1)S(=O)(=O)CC 96524591 OLUIQCLHOJJZKB-DLGQCPFBSA-N 334.235 2.841 30 40 EFEB C[C@@H](CC#N)N(C)C(=O)c1cc(=O)[nH]c2ccc(Br)cc12 75143274 VQCSTVVBSGVZGF-VIFPVBQESA-N 348.200 2.665 30 40 EFEB C=CCn1c(SCC(=O)OCC)nnc1-c1ccc(OC)cc1 4356744 LCRWWUGRFNJOCO-UHFFFAOYSA-N 333.413 2.795 30 40 EFEB Cc1oc(C)c(C(=O)N2CCCN(c3ncccc3C#N)CC2)c1C 55742366 UBKNNZVWMXBBRV-UHFFFAOYSA-N 338.411 2.824 30 40 EFEB C=CCOc1c(Cl)cc(C(=S)N2CCOCC2)cc1OC 6735789 PHYFFNBCZOWKNP-UHFFFAOYSA-N 327.833 2.921 30 40 EFEB CNC(=O)[C@@H](C#N)C(=O)c1cccc(OCc2ccc(Cl)cc2)c1 102765839 OJJRUMNWKAVPBU-INIZCTEOSA-N 342.782 2.987 30 40 EFEB O/C(=N\c1nc(-c2ccccn2)n[nH]1)c1ccn(-c2cccc(F)c2)n1 58289251 OPVJWILFSOEJBJ-UHFFFAOYSA-N 349.329 2.828 30 40 EFEB N#Cc1cc(NC[C@H]2CCCN(c3ncccn3)C2)ccc1[N+](=O)[O-] 97145436 XQQMIMALLPZGTO-CYBMUJFWSA-N 338.371 2.585 30 40 EFEB Cc1noc(C)c1CO/N=C(/N)c1cc(Br)cs1 48640106 LJVPCKFSGOJIHY-UHFFFAOYSA-N 330.207 2.953 30 40 EFEB N#CCc1ccc(OCCNC(=O)c2[nH]nc(C3CC3)c2Cl)cc1 84397743 NDQWPRHFJCEAPJ-UHFFFAOYSA-N 344.802 2.815 30 40 EFEB N#CCCN(C(=O)[C@H]1C[C@H]1c1cccnc1)c1ccc2c(c1)OCCO2 79000373 XUKHIMQOYRKYAT-IRXDYDNUSA-N 349.390 2.903 30 40 EFEB C#Cc1cccc(N(Cc2cccs2)C(=O)CCn2ccnn2)c1 76830707 BFKFBPQJZSALFW-UHFFFAOYSA-N 336.420 2.944 30 40 EFEB C[C@H](Nc1ccc(S(N)(=O)=O)cc1C#N)c1ccc(F)c(F)c1 96426877 ZOYDDNOQWFFVJY-VIFPVBQESA-N 337.351 2.657 30 40 EFEB N#Cc1cccc(C(=O)N2CC[C@@H]3O[C@@H](COCC4CC4)CC[C@@H]32)c1 96186697 IJYYLEQAJAJRFN-QYZOEREBSA-N 340.423 2.747 30 40 EFEB N#C[C@]1(CO)[C@@H](c2ccccc2)[C@H]1S(=O)(=O)c1ccc(Cl)cc1 242574949 NLPBNIVXKUFUDM-BBWFWOEESA-N 347.823 2.782 30 40 EFEB C[C@@H](c1nc(C(C)(C)C)no1)N1CCN(c2cc(C#N)ccn2)CC1 13000285 DMDAHUQMUJTACB-ZDUSSCGKSA-N 340.431 2.517 30 40 EFEB N#Cc1nccnc1O[C@@H]1CCN(C(=O)CCC2CCCCC2)C1 225798945 TYSWAIUKFSRYAT-OAHLLOKOSA-N 328.416 2.688 30 40 EFEB O=c1c2[nH]c3ccccc3c2ncn1/N=C/c1ccc([N+](=O)[O-])cc1 492510 AOZZAPZBBVOHFD-DJKKODMXSA-N 333.307 2.668 30 40 EFEB N#C[C@@H](C(=O)NC[C@@H]1CCCO1)C(=O)c1cc2c(F)cccc2s1 103502343 VDNHUAMXWQBVPK-CMPLNLGQSA-N 346.383 2.658 30 40 EFEB C[C@@H](c1nc(-c2ccccc2)no1)N1CCN([C@H](C)CC#N)CC1 53609611 XSPTZRANVNTSAH-CABCVRRESA-N 325.416 2.717 30 40 EFEB CC(C)n1cc(C#N)c(NS(=O)(=O)c2ccc(C#N)c(Cl)c2)n1 79103046 HJZNEQCFHIUFOZ-UHFFFAOYSA-N 349.803 2.662 30 40 EFEB C[C@@H](C(=O)Nc1sccc1C#N)N1CCN(c2ccccc2)CC1 12534531 MQSDALSUEHMNQX-AWEZNQCLSA-N 340.452 2.769 30 40 EFEB Cc1ccn(CCOc2ccc3c(C)cc(=O)oc3c2)c(=O)c1C#N 97377545 XDWRFSOYXXYMMM-UHFFFAOYSA-N 336.347 2.522 30 40 EFEB CC(C)C/N=C1/NC(=O)[C@@H](CC(=O)Nc2cccc(Cl)c2)S1 36308413 FCFPAIDXQGAZNZ-GFCCVEGCSA-N 339.848 2.912 30 40 EFEB N#CC1(C#N)[C@@H](c2ccccn2)O[C@]23CCCCC[C@@H]2[C@]1(C#N)C(=N)O3 102714325 WZTBGWGNYMAMTR-RGCFKVTRSA-N 347.378 2.981 30 40 EFEB C#CCOc1ccc(NC(=O)NCc2nccn2CC(C)C)cc1 96434760 TYQRWTUGXUKEHB-UHFFFAOYSA-N 326.400 2.873 30 40 EFEB O=C(O)c1cc(/C=C/C(=O)c2cc(F)ccc2O)c2c(c1)COCO2 4770141 DYRKPVJVCHHSEL-HNQUOIGGSA-N 344.294 2.992 30 40 EFEB N#Cc1cccc(NC(=O)COc2cccc(N3CCCC3=O)c2)c1 7063781 FDTIHKXMIFHWAR-UHFFFAOYSA-N 335.363 2.703 30 40 EFEB COc1c([C@@H]2CCCN2CCOc2cccc(C#N)c2)c(C)nn1C 72253783 GZNQFHASBDGIKT-KRWDZBQOSA-N 340.427 2.825 30 40 EFEB C=CCC[C@H]1NC(=O)N(Cc2ccccc2-n2nc(C)cc2C)C1=O 577844736 XYKBVBYBYMGZCW-MRXNPFEDSA-N 338.411 2.876 30 40 EFEB N#Cc1ccc(F)c(CNc2ccc(C(=O)N3CCOCC3)cc2)c1 96453363 MULQGFXSUYFSFI-UHFFFAOYSA-N 339.370 2.782 30 40 EFEB Cc1cc(Br)c(N2CCC[C@H](CC(N)=O)C2)c(C#N)c1 585133083 RXVFIWJEZSQRDH-LLVKDONJSA-N 336.233 2.721 30 40 EFEB Cc1ccc(S(=O)(=O)ONC(=O)OCC2CCCCC2)cc1 525919601 ZVSGTYRLXHAITP-UHFFFAOYSA-N 327.402 2.922 30 40 EFEB N#Cc1ncn(CC(=O)N2CCCC[C@@H]2c2cccc(Cl)c2)n1 618286806 HDIOPZNUBSPLAN-CQSZACIVSA-N 329.791 2.557 30 40 EFEB N#Cc1cc2ccccc2nc1N1CCC(N2CCC[C@@H]2CO)CC1 1776001434 RTVTVWFSAWOELT-GOSISDBHSA-N 336.439 2.532 30 40 EFEB Cc1cnc(OC[C@H]2CCCN(C(=O)c3ccc(C#N)cc3)C2)nc1 1775969262 GWOWXDSXERMDMY-INIZCTEOSA-N 336.395 2.588 30 40 EFEB Cc1cccc(/N=C2\NN=C(c3ccc(O)c(C(N)=O)c3)CS2)c1 15404543 QMNRCZCCMLRYSL-UHFFFAOYSA-N 340.408 2.528 30 40 EFEB COc1ccc([C@H]2CC(=O)NC3=C2C(=O)CC(C)(C)C3)c(OC)c1 100739272 TVWQFNYQRQAZSD-CYBMUJFWSA-N 329.396 2.951 30 40 EFEB Cc1nc(SCCCN2C(=O)NC(C)(C)C2=O)c(C#N)c(C)c1C 41575119 JZFQSJSIWMXINA-UHFFFAOYSA-N 346.456 2.691 30 40 EFEB CC[C@@]1(c2ccc(Cl)cc2)NC(=O)N(C[C@H](C#N)CCC#N)C1=O 24088521 SKBMRNJEDIBVHW-SJCJKPOMSA-N 344.802 2.941 30 40 EFEB C=CCN1C(=O)[C@@](O)([C@H]2CCc3ccccc3C2=O)c2ccccc21 1320430 UROHUNKSUJESGO-UWJYYQICSA-N 333.387 2.852 30 40 EFEB C=CCNC(=S)/C(=C(/O)c1ccc([N+](=O)[O-])cc1)[n+]1ccccc1 12566508 HIHLYOHDJQCISQ-UHFFFAOYSA-O 342.400 2.869 30 40 EFEB N#C[C@H](NC(=O)/C=C/c1ccc(C(N)=O)cc1)c1ccccc1Cl 95406183 HMSBBZUULQJKDW-JCVNQNCUSA-N 339.782 2.833 30 40 EFEB O=C1CC(c2cccc(Cl)c2)CC(=O)C1=CNCCc1c[nH]cn1 100432716 CYYGZPWUASSDMS-UHFFFAOYSA-N 343.814 2.795 30 40 EFEB N#Cc1nc(C2CC2)oc1N1CCN(Cc2ccccc2F)CC1 29225135 KJGQLTHZZAVVFV-UHFFFAOYSA-N 326.375 2.885 30 40 EFEB Cc1cc(C=NN2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)ccc1N1CCCC1 409405544 HSAPQNMUMUIBOH-PBWTXFEYSA-N 349.434 2.736 30 40 EFEB CC1(C)Cc2c(C#N)c(NCCO)nc(Cc3ccccc3)c2CO1 13511636 ISMFZAWYSWUVDG-UHFFFAOYSA-N 337.423 2.800 30 40 EFEB O=c1c2ccccc2nc(O)n1N=Cc1ccc(Cl)c([N+](=O)[O-])c1 409364750 YPJIFNPUUFJQAN-UHFFFAOYSA-N 344.714 2.546 30 40 EFEB N#C[C@@H](C(=O)c1cccc(N2CCNC2=O)c1)c1nc2ccccc2o1 66516528 BKLKAVNWJYBVFI-AWEZNQCLSA-N 346.346 2.847 30 40 EFEB COc1ccccc1NC(=S)N/N=C1/CC(=O)c2ccccc21 4868682 AFZSBTAHPCFZFU-RGEXLXHISA-N 325.393 2.972 30 40 EFEB Cc1nc(N=C2NCN([C@@H]3CCCC[C@H]3C)CN2)nc2ccccc12 17016456 NEEOQUZPWWKPOF-CXAGYDPISA-N 338.459 2.914 30 40 EFEB CCCCN1C(=O)CC[C@H](C(=O)OCC#N)[C@@H]1c1ccc(OC)cc1 8409670 VITFPOZDWTUQPH-WMZOPIPTSA-N 344.411 2.842 30 40 EFEB N#Cc1ccc(N2CCC(NC(=O)c3ccc[nH]3)CC2)cc1Cl 95394805 JPJRJPIMLCRUPU-UHFFFAOYSA-N 328.803 2.939 30 40 EFEB N#Cc1cc(F)c(C(F)(F)F)cc1N1CCC[C@@H](CC(N)=O)C1 1548512031 UQMDNMLIKZSEAH-VIFPVBQESA-N 329.297 2.808 30 40 EFEB COc1ccc(/C=N/Nc2nc3ccccc3n2C)cc1[N+](=O)[O-] 408654991 KSKMITRXNWEQRH-LICLKQGHSA-N 325.328 2.936 30 40 EFEB COc1ccc(C(=O)[C@H](C#N)c2cc(OC)c3c(c2)OCO3)cc1 66091387 ZYBVECSLEHAFHK-CQSZACIVSA-N 325.320 2.923 30 40 EFEB C#CCN1CCC[C@@H](OC(=O)C(O)(c2ccccc2)c2ccccc2)C1 31947025 WAZLUBXULQIYPV-HXUWFJFHSA-N 349.430 2.563 30 40 EFEB COC(=O)c1ccc([C@@H]2C3=C(CCCC3=O)Nc3c(C#N)cnn32)cc1 40284109 LCEQITLMPXXHNT-QGZVFWFLSA-N 348.362 2.563 30 40 EFEB C[C@H](NC(=O)NCC#Cc1ccccc1)c1ccc(-n2ccnn2)cc1 96484941 ULMXILSBWNXMBR-INIZCTEOSA-N 345.406 2.679 30 40 EFEB C=CCOC[C@@H]1CC[C@H]2[C@H]1OCCN2C(=O)c1ccc(F)c(F)c1 253371775 CHERGVXJESTXQU-JQFCIGGWSA-N 337.366 2.787 30 40 EFEB CC1(C)CN(C(=O)Cc2ccc(C#N)nc2)[C@H]1c1nccn1CC1CC1 606444670 GUCCEXJKFPMDKQ-SFHVURJKSA-N 349.438 2.712 30 40 EFEB Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H](C)Cc1cccs1 72277048 JWFCVSDWBOVYHE-NSHDSACASA-N 343.452 2.605 30 40 EFEB CC(=O)O/N=C1\CCCc2c1sc1nc3n(c(=O)c21)CCCCC3 359564 XAWQKDDKFVQVNZ-XDHOZWIPSA-N 345.424 2.788 30 40 EFEB COc1ccc(/C=C/C(=O)O/N=C(\N)c2ccccc2)cc1OC 5996004 WRSAKBGBDHVKCH-PKNBQFBNSA-N 326.352 2.581 30 40 EFEB N#Cc1ccc(C(=O)Nc2ccc(NC(=O)[C@@H]3CCCO3)cc2)cc1 30175723 ONTVBFHQHXXYMA-KRWDZBQOSA-N 335.363 2.928 30 40 EFEB COc1ccc(OCCSCC(=O)N[C@](C)(C#N)C(C)C)cc1 50250029 SHWBHDZMTKLHQX-QGZVFWFLSA-N 336.457 2.862 30 40 EFEB C[C@H](Sc1nc(N)c(C#N)cc1C#N)C(=O)N(C)c1ccccc1 21425414 PFWMHBRQCSFSRB-NSHDSACASA-N 337.408 2.551 30 40 EFEB COc1cc2c3c(c1OC)C1(C=CC(=O)C=C1)C[C@@H]3[N+](C)(C)CC2 296272 QUWNQGIEEDWQNY-HNNXBMFYSA-N 326.416 2.714 30 40 EFEB C[C@H]1CN(CCC(=O)Nc2sc3c(c2C#N)CCCCC3)CCO1 22130712 DKSDSWVPMXQKFM-ZDUSSCGKSA-N 347.484 2.938 30 40 EFEB Cc1ccccc1-c1nnc(S)n1/N=C/c1ccc(O)c(O)c1 8509854 XRBJJDBYHDYQKJ-RQZCQDPDSA-N 326.381 2.836 30 40 EFEB C=CCCC(=O)N1[C@@H]2CC[C@@H]1CC(S(=O)(=O)c1ccccc1)C2 101323147 MHQNECVPTCTLAX-HUUCEWRRSA-N 333.453 2.949 30 40 EFEB COc1ccc(N2CCN(c3ccc(C#N)cc3[N+](=O)[O-])CC2)cc1 5688764 AIOSAINRLVYQPX-UHFFFAOYSA-N 338.367 2.802 30 40 EFEB CC(C)(C)n1cc(C#N)cc1NC(=O)N[C@@H](CO)Cc1ccccc1 69420878 HSEOOUVACAGYPJ-MRXNPFEDSA-N 340.427 2.840 30 40 EFEB C=CCN(C(=O)c1cc(Cl)ccc1Cl)[C@H]1CCS(=O)(=O)C1 69844694 GQBIVTCUPBAASE-NSHDSACASA-N 348.251 2.809 30 40 EFEB CC(C)c1ccc(CCN(CCC#N)CCN2CCOCC2)cc1 95945453 QIZWFOXEYIBFGF-UHFFFAOYSA-N 329.488 2.900 30 40 EFEB C=C(C)CN1CCC(NC(=O)N2CCOC[C@@H]2c2ccc(C)o2)CC1 89652745 YIZDGZWZMXHKMU-QGZVFWFLSA-N 347.459 2.711 30 40 EFEB CCOc1cc(/C=C2\C(=O)ON=C2C)cc(Cl)c1OCC(=O)O 409084366 BIXOBXARZHZXBY-WMZJFQQLSA-N 339.731 2.518 30 40 EFEB COc1cc2c(=O)ncn(Cc3cc(F)ccc3C#N)c2cc1F 184918137 WORMXLXMDUSOFP-UHFFFAOYSA-N 327.290 2.603 30 40 EFEB C=C(C)CN1CCC(NC(=O)N[C@H]2CCO[C@H]2c2ccccc2)CC1 96446996 HPFBMPIYQMPANV-OALUTQOASA-N 343.471 2.856 30 40 EFEB CS(=O)(=O)Cc1ccc(CNc2ncc(C#N)cc2Cl)cc1 69348925 LRPSFGHJTZNIQH-UHFFFAOYSA-N 335.816 2.763 30 40 EFEB C=CCSCC(=O)OC1CCN(Cc2ccccc2C#N)CC1 69700665 MSEREHZGHQVAJP-UHFFFAOYSA-N 330.453 2.985 30 40 EFEB C#CCN1CCC[C@H]1C(=O)Nc1nccn1Cc1ccccc1Cl 72286064 ZUOKVNKEXYBAEC-INIZCTEOSA-N 342.830 2.621 30 40 EFEB CCCCS(=O)(=O)/N=C(O)/C=C/c1ccc2c(c1)OCCO2 42344586 ACXPOLBUCPUIFF-FNORWQNLSA-N 325.386 2.557 30 40 EFEB COc1cc(NC(=O)CNc2ccc(C#N)cc2)cc(OC)c1OC 15291194 REIIBWYSLFSPHX-UHFFFAOYSA-N 341.367 2.635 30 40 EFEB O=C1/C(=C/c2ccccc2)Oc2c1ccc(O)c2CN1CCOCC1 4339722 QRVMSXPVWPRHQF-PDGQHHTCSA-N 337.375 2.841 30 40 EFEB biogenic Cc1cc2c(cc1C)N[C@@H](CC(=O)Nc1ccccc1C#N)C(=O)N2 141308 UBIBUDOHQJZXAL-KRWDZBQOSA-N 334.379 2.937 30 40 EFEB C#CCOc1ccc(NC(=O)NCc2csc(N(C)C)n2)cc1 78974001 YXMOMNOCRYKTSC-UHFFFAOYSA-N 330.413 2.543 30 40 EFEB Cc1nn(C)c2ncc(/C=C/C(=O)c3csc(C(=O)O)c3)cc12 106586800 PCWGZVAFSIDNRP-ONEGZZNKSA-N 327.365 2.933 30 40 EFEB C[C@@H](Cc1ccco1)NC(=O)C1CCN(c2ccc(C#N)cn2)CC1 48234518 RBKTVMCDDQCIHF-AWEZNQCLSA-N 338.411 2.510 30 40 EFEB CCCNC(=O)[C@@H](C#N)C(=O)c1cccc(-c2csc(C)n2)c1 102708159 OYLOPSTXDJOPJP-AWEZNQCLSA-N 327.409 2.967 30 40 EFEB Cc1noc(C)c1CSc1ccccc1/C(O)=N/S(C)(=O)=O 48479240 AMGDQXYTDXNPCE-UHFFFAOYSA-N 340.426 2.848 30 40 EFEB Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H]1CCCc2ccccc21 5270098 ZKSJRHUYDNEJTH-LJQANCHMSA-N 349.434 2.990 30 40 EFEB COc1ccc(/C=N/n2cnc3sc(C)c(C)c3c2=O)cc1O 6510595 XFRSSWOBMGOXNV-CNHKJKLMSA-N 329.381 2.671 30 40 EFEB N#Cc1ccc(C[S@@](=O)Cc2noc(Cc3ccccc3)n2)cc1 84541495 AEFCYTXWEQRLCX-DEOSSOPVSA-N 337.404 2.981 30 40 EFEB O=C(O)CC/C(=N\NC(=S)NCc1ccccc1)c1cccs1 5787637 JGSVVACWMYVLJS-QGOAFFKASA-N 347.465 2.981 30 40 EFEB N#Cc1cnc(SCC(=O)Nc2cccc3c2CCCC3)nc1N 4999208 KEQVYPIPXLZBKG-UHFFFAOYSA-N 339.424 2.540 30 40 EFEB C=CCOC(=O)c1sc(NC(=O)c2cccc([N+](=O)[O-])c2)nc1C 5958995 MCLOBZUBOVDRBJ-UHFFFAOYSA-N 347.352 2.955 30 40 EFEB C=CCN(C(=O)/C=C(\C)CCc1ccccc1)[C@@H]1CCS(=O)(=O)C1 69454298 PMFXOCILVRMXBH-QRURKXGXSA-N 347.480 2.767 30 40 EFEB C[C@@H]1C[C@H]1C(=O)N1CCCC[C@@H]1C(=O)N(C)Cc1ccc(C#N)cc1 69622368 JVBBQHHWTZDHCA-ZTFGCOKTSA-N 339.439 2.554 30 40 EFEB N#Cc1cccnc1NCC1CCN(C[C@@H](O)c2ccccc2)CC1 69779240 YCIIELVLNFJDPR-LJQANCHMSA-N 336.439 2.811 30 40 EFEB N#Cc1cc(Br)ccc1NC[C@H](CO)Cc1ccccn1 97083912 NNIQSQPTZJODFL-GFCCVEGCSA-N 346.228 2.979 30 40 EFEB CCn1cc(NC(=O)C2CCN(c3cccc(F)c3C#N)CC2)cn1 78334017 LTIDXAOQMMBLAL-UHFFFAOYSA-N 341.390 2.769 30 40 EFEB C=C(C)Cn1c(C(=O)N2CCCC2)nnc1N1C[C@H]2CCCC[C@H]2C1 328684735 FDUQIUYTSGGVGW-IYBDPMFKSA-N 343.475 2.717 30 40 EFEB CCN(C[C@@H](C)C#N)C(=O)Nc1ccc2c(c1)CCC(=O)N2CC 97376577 MUBJRSXQRSTVDX-ZDUSSCGKSA-N 328.416 2.999 30 40 EFEB Cc1cc(C)cc([C@@H]2CCN(S(=O)(=O)N(C)[C@H](C)CC#N)C2)c1 252549437 REYNIGTUFFKMMG-HZPDHXFCSA-N 335.473 2.572 30 40 EFEB Cc1n[nH]c(C(F)F)c1NS(=O)(=O)c1ccc(Cl)c(C#N)c1 97032819 VMBBIWONUVEKDI-UHFFFAOYSA-N 346.746 2.982 30 40 EFEB Cc1cn2nc(OCC3CCN(c4ncccc4C#N)CC3)ccc2n1 1888869813 DXLWAELKTWERTI-UHFFFAOYSA-N 348.410 2.600 30 40 EFEB Cc1cc(-c2ccncc2)nn1CCNC(=O)c1cccc(C#N)c1 217869276 KXDVZKLHPQXFGJ-UHFFFAOYSA-N 331.379 2.555 30 40 EFEB Cc1cc(NC(=O)Cc2coc(-c3ccccc3)n2)n(CCC#N)n1 58332221 QYPQPBMYMCPDRU-UHFFFAOYSA-N 335.367 2.941 30 40 EFEB C[C@](C#N)(NC(=O)COc1cc2ccccc2cc1C(=O)O)C1CC1 13050122 ZCTUEPHIUJPWKO-LJQANCHMSA-N 338.363 2.725 30 40 EFEB C[C@H](C[C@H](O)c1ccco1)NC(=O)NCc1cc(C#N)ccc1F 95413557 VLVSEIFBYIINOY-ABAIWWIYSA-N 331.347 2.602 30 40 EFEB N#Cc1ccc(OC[C@H](O)COc2cccc(-n3ccnc3)c2)cc1 95439109 ZNCHMZQATLRYSA-KRWDZBQOSA-N 335.363 2.563 30 40 EFEB N#Cc1ccc(S(=O)(=O)N2CCc3[nH]c4ccccc4c3C2)cc1 14098974 OLFVTWYIIAJBJB-UHFFFAOYSA-N 337.404 2.787 30 40 EFEB Cc1sc(NC(=O)c2cc(C(=O)O)ccc2C(=O)O)c(C#N)c1C 5921707 YNFSHIZGROHSEC-UHFFFAOYSA-N 344.348 2.885 30 40 EFEB CCNc1ccc(C#N)cc1NS(=O)(=O)c1c[nH]c2ncccc12 89977549 AYYSTXFOMHCYDU-UHFFFAOYSA-N 341.396 2.667 30 40 EFEB C=CCNc1nnc(SCc2ccc(S(C)(=O)=O)cc2)s1 225432674 RAUTXLFMGZQDNH-UHFFFAOYSA-N 341.483 2.832 30 40 EFEB N#Cc1cc(Br)ccc1N1CCC(c2nc[nH]n2)CC1 97370410 DBRFJFBHVCAAIU-UHFFFAOYSA-N 332.205 2.823 30 40 EFEB CC(=O)N[C@@H]1[C@H](O)C[C@@H]2[C@H]3CCC4=CC(=O)CC[C@]4(C)[C@@H]3CC[C@]12C 253504331 FOJQXPABGWZAGJ-IVECGHKRSA-N 345.483 2.994 30 40 EFEB biogenic,in-vitro C#CCOc1ccc(N(C)C(=O)c2cn(Cc3ccccc3)nn2)cc1 69704832 ZQQDWGDABBCDPE-UHFFFAOYSA-N 346.390 2.615 30 40 EFEB COC(=O)c1cc(/N=C/c2cccc(OC)c2O)cc(C(=O)OC)c1 5287593 OSRPMDFIGWKULX-VXLYETTFSA-N 343.335 2.725 30 40 EFEB C#CC1(OC[C@H](O)CN2C(C)(C)CC(O)CC2(C)C)CCCCC1 12419877 BVBWXWSNQXQSIC-QGZVFWFLSA-N 337.504 2.714 30 40 EFEB CCOC(=O)C/C(N)=N\Nc1cc(Cl)c(Cl)cc1[N+](=O)[O-] 16682241 ITENCRYXGCZDEU-UHFFFAOYSA-N 335.147 2.539 30 40 EFEB N/C(COc1ccc(Cl)cc1)=N\OC(=O)c1ccnc(Cl)c1 4280822 WQFBLIQUKXJKSY-UHFFFAOYSA-N 340.166 2.896 30 40 EFEB CN1C(=S)S[C@@H](/[N+]([O-])=C/c2cccc([N+](=O)[O-])c2)C1(C)C 1836095 XVMNAWISONYYBU-SHLUWWQESA-N 325.415 2.592 30 40 EFEB C[C@@H](Oc1ccccc1C#N)C(=O)Nc1ccccc1C(=O)NC1CC1 40504329 MRXQJFRDGVIBSW-CYBMUJFWSA-N 349.390 2.856 30 40 EFEB C=CCCS(=O)(=O)NC1CCN(Cc2ccc(Cl)cc2)CC1 79108350 DRCXDBVXAHPVJB-UHFFFAOYSA-N 342.892 2.800 30 40 EFEB CCOc1ccccc1/C(O)=N/S(=O)(=O)c1ccc(C(C)=O)cc1 46929489 GUPBPDHPIGCLAE-UHFFFAOYSA-N 347.392 2.981 30 40 EFEB C[C@H]1CCN(Cc2nnc(-c3ccc(C#N)cc3)o2)C[C@@H]1n1ccnc1 96489089 XJQOULNWLMJKNW-YOEHRIQHSA-N 348.410 2.888 30 40 EFEB N#Cc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)CC1CCCC1 4986643 IPWBJEFTXRKZPU-UHFFFAOYSA-N 331.328 2.528 30 40 EFEB C[C@@H](c1ccc(F)c(F)c1)N(C)C(=O)CN(C)c1ccc(C#N)cn1 67787983 XMFSAWAZYSATRX-LBPRGKRZSA-N 344.365 2.887 30 40 EFEB N#Cc1nccnc1N1CCN(Cc2ccc(C(F)(F)F)cc2)CC1 69378966 ZPGHRTGJKUKVDI-UHFFFAOYSA-N 347.344 2.689 30 40 EFEB C=CC/N=C1/S/C(=C/C(=O)Nc2ccccc2)C(=O)N1CC=C 18191041 GQWHZNXJCYWCFJ-OIEXXJIVSA-N 327.409 2.812 30 40 EFEB C[C@@H]1CCCC[C@@H]1OCCNc1ncnc2c1cnn2CCC#N 97200183 YKCAJAFPBBPXLP-HIFRSBDPSA-N 328.420 2.747 30 40 EFEB C[C@@H](NC1CCN(c2ccc(C#N)cn2)CC1)c1cccc(CO)c1 95988807 CAJCICZLGDQBAQ-OAHLLOKOSA-N 336.439 2.765 30 40 EFEB C=CCO[C@H]1CC2(CCN(C(=O)COC)CC2)c2cc(F)ccc21 96241686 QOFLQBYPRYDUMC-KRWDZBQOSA-N 333.403 2.980 30 40 EFEB Cc1nc(C)n(C[C@H]2CCCN(Cc3ccc(F)cc3C#N)C2)n1 69969350 APRSPCWMEPXYBF-HNNXBMFYSA-N 327.407 2.818 30 40 EFEB C=CCN(C(=O)c1nc(NC(C)C)ncc1Br)C1CC1 1615589962 HKYMPWXTNPWUCS-UHFFFAOYSA-N 339.237 2.850 30 40 EFEB O=C1/C(=N\c2ccc(F)cc2)c2ccccc2N1CN1CCOCC1 16524140 DHTIODRATFQCNH-UZYVYHOESA-N 339.370 2.583 30 40 EFEB CN(C)c1nc(NCc2ccccc2)nc(N/N=C/c2ccccc2)n1 4474705 ZFIBHSIMCMKSTH-KGENOOAVSA-N 347.426 2.996 30 40 EFEB CCc1cc(C(=O)N2CCN(c3cc(C#N)ccn3)CC2)sc1C 30942484 UNHHTBXCCLVLGX-UHFFFAOYSA-N 340.452 2.848 30 40 EFEB N#Cc1ccsc1NC(=O)[C@H]1CC(=O)N(c2ccc(F)cc2F)C1 32824574 KZLJQWQSHJQFEP-JTQLQIEISA-N 347.346 2.890 30 40 EFEB C#CCNC(=O)c1ccccc1NC(=O)COc1ccc(C)cc1C 58268670 OEDIIIMIFDGYGT-UHFFFAOYSA-N 336.391 2.684 30 40 EFEB Cc1ccn(CC(=O)N(C)[C@@H]2CCCc3ccccc32)c(=O)c1C#N 97141209 SOHUGAGULYHMSP-GOSISDBHSA-N 335.407 2.564 30 40 EFEB CC[C@H](C#N)NC(=O)c1ncc(Br)cc1Br 97115699 JAPIKIFPIFMQSK-SSDOTTSWSA-N 347.010 2.639 30 40 EFEB N#Cc1ccc(COc2c(CO)cc(Br)cc2CO)cc1 3342954 JZCPVSXAMMHVAR-UHFFFAOYSA-N 348.196 2.884 30 40 EFEB CN(C)CCCN(CCC#N)C(=O)c1ccc(Br)cc1 48333429 SRKONQNIMZVNTL-UHFFFAOYSA-N 338.249 2.757 30 40 EFEB Cc1cc(N2C(=O)C(O)=C(C(=O)c3ccco3)[C@H]2c2ccco2)no1 9360263 XOAVDHQXQQJBQY-CQSZACIVSA-N 340.291 2.952 30 40 EFEB CN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@H]1c1ccccc1[N+](=O)[O-] 5489690 CHUHBTGCICKCJL-OAHLLOKOSA-N 338.319 2.803 30 40 EFEB N#Cc1c(F)cccc1S(=O)(=O)N1CC[C@@H](Oc2ccccc2)C1 96428030 MJSQCJXYHFOTPQ-CQSZACIVSA-N 346.383 2.539 30 40 EFEB C=CCO[C@H](C)C(=O)NC1CCN(Cc2ccc(F)c(F)c2)CC1 68876944 MWTSIONYDMQDDE-CYBMUJFWSA-N 338.398 2.637 30 40 EFEB COc1ccccc1[C@H](C#N)NC(=O)c1ccc(F)cc1[N+](=O)[O-] 95982296 AXLDSORMEHMUDM-ZDUSSCGKSA-N 329.287 2.737 30 40 EFEB N#Cc1cccc(CN2CC[C@@]3(CCCN(c4ncccn4)C3)C2)c1 96216854 JYZFIAWWZZJQFG-FQEVSTJZSA-N 333.439 2.841 30 40 EFEB N#Cc1ccc([C@H](N[C@H](C[C@@H]2CCOC2)c2ccccc2)C(N)=O)cc1 390835237 HJUWSOVARRICAS-DBVUQKKJSA-N 349.434 2.842 30 40 EFEB C[C@@H](CC#N)Sc1ccccc1NC(=O)CSc1ncn[nH]1 95953358 OJXQPWPXMRBZOL-JTQLQIEISA-N 333.442 2.930 30 40 EFEB CCNC(=O)C[C@@H]1S/C(=N\c2cccc(Cl)c2C)N(C)C1=O 13116592 VLQHXQRTOROOIK-ZNZSVTJWSA-N 339.848 2.736 30 40 EFEB Cc1ccc(O)c(/C(CSc2nnnn2-c2ccccc2)=N\O)c1 5541897 GMMMUHCOUPRABX-JXAWBTAJSA-N 341.396 2.647 30 40 EFEB N#Cc1ccc(OC2CCN(c3ccc(C(=O)O)cn3)CC2)c(F)c1 592420582 DPLVEKFAQPYBME-UHFFFAOYSA-N 341.342 2.838 30 40 EFEB COc1ccc([C@H]2C(C(C)=O)=C(O)C(=O)N2c2ccc(O)cc2)cc1 81583 WTRHMOSBUFSMIX-KRWDZBQOSA-N 339.347 2.890 30 40 EFEB N#Cc1ccccc1NC(=O)CCS(=O)(=O)Cc1ccccc1 10620543 MNPGSYLEAIUZPA-UHFFFAOYSA-N 328.393 2.502 30 40 EFEB C=CCn1c(N)c(C(=O)NCc2ccc3c(c2)OCO3)sc1=S 12416098 RTDPLGRWTMJRQS-UHFFFAOYSA-N 349.437 2.706 30 40 EFEB Cc1nnc(/N=C(\O)[C@H](C)N2CCN(c3ccc(F)cc3)CC2)s1 20028132 FCXBABAVGJRCMQ-NSHDSACASA-N 349.435 2.784 30 40 EFEB COc1ccc(C(=O)[C@@H](C#N)C(=O)Nc2cccc(C)c2)cc1OC 103504043 GCXNPQKUHBSTEB-OAHLLOKOSA-N 338.363 2.973 30 40 EFEB COc1ccccc1NC(=O)[C@@H](C)OC(=O)c1ccccc1CC#N 22558468 CUICKWPGISYJOK-CYBMUJFWSA-N 338.363 2.945 30 40 EFEB N#C[C@H]1[C@H]2CCC3(C[C@@H]2CCN1C(=O)c1ccccc1)OCCO3 1613604 ZRESZLJDPVQHDJ-ULQDDVLXSA-N 326.396 2.584 30 40 EFEB C#CCSc1nc2c(c(=O)[nH]1)[C@H](c1ccc(CC)cc1)CC(=O)N2 4944184 PHSKQAOZAVCZKI-ZDUSSCGKSA-N 339.420 2.532 30 40 EFEB C=CCSc1nc(=O)c2c(n1C)NC(=O)C[C@@H]2c1ccc(C)cc1 4944607 CKWISLQKEJNGFI-CYBMUJFWSA-N 341.436 2.841 30 40 EFEB Cn1ccnc1[C@@H](NC(=O)COc1ccccc1C#N)c1ccccc1 12531138 CZNBNIZPVKLXEE-IBGZPJMESA-N 346.390 2.576 30 40 EFEB COc1ccc(-c2n[nH]c(NC(=O)c3cccc(C#N)c3)n2)c(OC)c1 58267930 SOSQKJMZWYYVQN-UHFFFAOYSA-N 349.350 2.613 30 40 EFEB C=CCN(CCc1ccccc1)C(=O)[C@H](C)Sc1nncn1C 58304868 HJQVPRDUUASORN-AWEZNQCLSA-N 330.457 2.553 30 40 EFEB Cc1c(Cl)cc(-c2ccc(/C=N/NC(N)=S)o2)cc1[N+](=O)[O-] 26508652 MPMOWRQGFUTVKJ-OMCISZLKSA-N 338.776 2.984 30 40 EFEB CC(C)[C@@H](C#N)N1CCN(C(=O)/C=C/c2cccc3cccnc23)CC1 65488533 RXYPMGQSGINMKZ-CSHXORCISA-N 348.450 2.940 30 40 EFEB CS(=O)(=O)c1cccc(C(=O)Nc2sc3c(c2C#N)CCC3)c1 4517883 VESKKNSMPWYTPH-UHFFFAOYSA-N 346.433 2.764 30 40 EFEB CN(C)CCN(Cc1cccc(O)c1)C(=O)c1cc(C#N)cs1 95445866 ZEFHUESDZIZPDA-UHFFFAOYSA-N 329.425 2.529 30 40 EFEB COc1ccc(/C=N\N(C)CN(C)/N=C\c2ccc(OC)cc2)cc1 31647903 HNZMJDDXNUIEPC-NMGXZBPKSA-N 340.427 2.893 30 40 EFEB COc1c2c(cc3c1[C@@H](C/C(=N/O)c1ccco1)N(C)CC3)OCO2 34115049 GKUBHQFQPYRCII-CQLSMYGBSA-N 344.367 2.815 30 40 EFEB biogenic Cc1cccc(N(CCC#N)S(=O)(=O)c2c[nH]c3ncccc23)c1 69777495 ATZGBDMGHZLHCF-UHFFFAOYSA-N 340.408 2.980 30 40 EFEB CCCN(C)C[C@H]1CCN(C(=O)NCc2ccc(C#N)cc2F)C1 74128032 MCAKDAOXSGSGMV-OAHLLOKOSA-N 332.423 2.571 30 40 EFEB COC(=O)CCC/C=C1\SC[C@@H](NC(=O)c2ccccc2)\C1=N\O 12653737 CLTIGQMRSNRISD-RXYDEPFLSA-N 348.424 2.589 30 40 EFEB biogenic C[C@@H]1CCCC[C@@]12NC(=O)N(Cc1cn3ccccc3c1C#N)C2=O 40040802 AQEQVKRKBIRJKX-BFUOFWGJSA-N 336.395 2.812 30 40 EFEB C#CCN1C(=O)[C@@](O)(CC(=O)c2ccc(CC)cc2)c2ccccc21 565375 IGPCDFTZWCYIIK-OAQYLSRUSA-N 333.387 2.689 30 40 EFEB CN(C)c1ccc(CNC(=O)CSCc2ccc(C#N)cc2)cn1 44951828 LWLKYGYPQQCCOO-UHFFFAOYSA-N 340.452 2.569 30 40 EFEB CC1(C)[C@H]2CN(C(=O)NC3CCN(c4ccc(C#N)cc4)CC3)C[C@@H]21 104187423 FYCNNABXHGNQDV-ROUUACIJSA-N 338.455 2.824 30 40 EFEB C=CCN(CC=C)C(=O)[C@@H]1CCC(=O)N(C)[C@@H]1c1ccccc1F 57355161 LFFUVAJUXWMXLN-CRAIPNDOSA-N 330.403 2.936 30 40 EFEB Cc1nc(C(C)(C)C)sc1/C(O)=N/S(=O)(=O)c1cccnc1 61067256 OAVFOHNRBMVREJ-UHFFFAOYSA-N 339.442 2.838 30 40 EFEB Nc1nc(=O)c2c([nH]1)NC1=C(C(=O)c3ccccc31)[C@H]2c1ccccc1 4384802 VHTXHRSNMNSQEH-CYBMUJFWSA-N 342.358 2.517 30 40 EFEB Cc1ccc(S(=O)(=O)N/N=C/c2sccc2C)cc1[N+](=O)[O-] 6674349 BWQRKIUUZQZGOS-RIYZIHGNSA-N 339.398 2.586 30 40 EFEB CCc1ccc(-c2noc(CSc3ncc(C#N)c(N)n3)n2)cc1 6978160 CZFMPJDTOBVWAH-UHFFFAOYSA-N 338.396 2.835 30 40 EFEB CCOc1cc2c(cc1/C=C/c1n[nH]c(=O)c(C#N)c1C)O[C@H](C)C2 7325082 FZEFFIBUWWKOPN-MVIFTORASA-N 337.379 2.843 30 40 EFEB C=CCOc1cccc(/C=N/N2C(=O)[C@H]3[C@H]4C=C[C@@H](CC4)[C@H]3C2=O)c1 408591933 WNYQYYUAUCBDTJ-CYRIFROVSA-N 336.391 2.783 30 40 EFEB C[C@]12CC[C@H]3[C@@H](C[C@@H](O)C4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2C(=O)CO 33902757 NCYJPPVFCXZXCE-QCVZGKPXSA-N 346.467 2.667 30 40 EFEB COc1cccc(CN2[C@@H]3C=CC(=O)[C@H]2[C@@H](C(=O)OC(C)(C)C)C3)c1 54969069 XHKRZZKPVOIIPD-UWWQBHOKSA-N 343.423 2.735 30 40 EFEB Cc1cc([C@H]2CCCN(CC(=O)N(C)C3(C#N)CCCCC3)C2)n[nH]1 84110880 JRWKEEHOKIPAGE-INIZCTEOSA-N 343.475 2.582 30 40 EFEB C=CCNC(=O)C1(C[C@H]2CC(c3cccc(F)c3)=NO2)CCOCC1 12365936 RMUSJDFPJGIPMQ-MRXNPFEDSA-N 346.402 2.808 30 40 EFEB COc1ccccc1[C@H]1C2=C(CC(C)(C)CC2=O)OC(N)=C1[N+](=O)[O-] 493806 AGLZSGGEJLANCA-AWEZNQCLSA-N 344.367 2.857 30 40 EFEB Cc1ccccc1CN1CCCN(c2nnc(C)c(C)c2C#N)CC1 42104181 KHMXWOVVGFJIIY-UHFFFAOYSA-N 335.455 2.986 30 40 EFEB C[C@H](CC#N)N(C)C(=O)Cc1cccc(I)c1 89894457 DCPZEZJHHCRTFY-SNVBAGLBSA-N 342.180 2.594 30 40 EFEB C#CCN(Cc1ccc(C)cc1)C(=O)c1ccc(Cn2cncn2)cc1 58342114 WBJLDFHQMMQOFQ-UHFFFAOYSA-N 344.418 2.910 30 40 EFEB C=C(C)CN(CC)C(=O)CCCOc1ccc(S(C)(=O)=O)cc1 58344074 GBQAMLOVHBZRJP-UHFFFAOYSA-N 339.457 2.674 30 40 EFEB CC(C)[C@@](C)(C#N)NC(=O)COc1nc(-c2ccccc2Cl)no1 58327303 KAQMCEKFBQUIKJ-MRXNPFEDSA-N 348.790 2.823 30 40 EFEB Cc1cccc(OCCNC(=O)c2ccc(NC(=O)CC#N)cc2)c1 9638753 LGOPAPJATXUDRM-UHFFFAOYSA-N 337.379 2.656 30 40 EFEB C[C@@H](O/N=C/c1ccc2c(c1)OCO2)C(=O)N1CCc2ccccc21 3564200 QIPNKQNVKBTBFJ-AYPRBGQRSA-N 338.363 2.744 30 40 EFEB C=C(Br)CNC(=O)Nc1cccc(COCCOC)c1 49300619 HJTWVKKRWVEYGS-UHFFFAOYSA-N 343.221 2.880 30 40 EFEB C[C@@H](CC#N)N1CCN(C(=O)c2ccc(Br)cc2)CC1 65563219 HMXKSWWRFJHVLX-LBPRGKRZSA-N 336.233 2.509 30 40 EFEB C[C@@H]1CCCCN1C(=O)NC1CCN(c2ccc(C#N)cn2)CC1 67090149 XSSMWCJXDDSPHM-CQSZACIVSA-N 327.432 2.506 30 40 EFEB CN(Cc1ccc(C#N)cc1)c1ccc2nnc(CC(F)(F)F)n2n1 69744193 NHMMQCPTDAETMV-UHFFFAOYSA-N 346.316 2.737 30 40 EFEB N#Cc1c[nH]c(C(=O)N[C@H]2c3ccccc3CC[C@@H]2n2ccnc2)c1 87257815 AREJTGCHQPBJON-ROUUACIJSA-N 331.379 2.741 30 40 EFEB Cn1cc(N2CCN(c3ccc(C(F)(F)F)c(C#N)c3)CC2)cn1 97144990 FZHRONPTRDLAHR-UHFFFAOYSA-N 335.333 2.637 30 40 EFEB C#CCOc1c(I)cc(/C=N/O)cc1OCC 408935482 HHYRCIFOMNPRSS-RIYZIHGNSA-N 345.136 2.510 30 40 EFEB N/C(Cc1ccccc1Cl)=N/OCC(=O)Nc1cccc(F)c1 48312003 MNCSLDZVUZDTSY-UHFFFAOYSA-N 335.766 2.949 30 40 EFEB COc1ccc(CN2C(=O)/C(=N\O)c3c(C)cccc32)cc1OC 46085140 HBGWSISTLGXAKF-ZPHPHTNESA-N 326.352 2.737 30 40 EFEB N#Cc1cccnc1-n1c(N2CCC[C@H](CO)C2)nc2ccccc21 44029886 YWPNLDWNJSXZJM-AWEZNQCLSA-N 333.395 2.501 30 40 EFEB C=C(C)CNC(=O)N[C@@H](C)c1ccc(N2CCN(C)CC2)c(F)c1 195571265 BXZDEVWVCCXIDH-AWEZNQCLSA-N 334.439 2.514 30 40 EFEB CN(Cc1cc(Cl)cn1C)C(=O)NCCOc1ccc(C#N)cc1 96465851 RLTFTKCTEGMYHZ-UHFFFAOYSA-N 346.818 2.771 30 40 EFEB COc1ccc(C#CC(=O)N2CCc3[nH]nc(C4CCC4)c3C2)cc1 23153436 ANNZPPWWMCTUNV-UHFFFAOYSA-N 335.407 2.622 30 40 EFEB CCCCc1nc(NCCNC(C)=O)c(C#N)c2c1COC(C)(C)C2 95472581 NTLAALWMUZAQRC-UHFFFAOYSA-N 344.459 2.695 30 40 EFEB C=C(C)Cn1c(Cc2cccnc2)nnc1N1CCO[C@H](C(C)C)C1 1615587407 LCMVQNWIITZAJZ-KRWDZBQOSA-N 341.459 2.701 30 40 EFEB CCN(CC)S(=O)(=O)c1ccc(N/N=C/c2ccsc2)nc1 5167057 JZARMXXXIZDMSF-CXUHLZMHSA-N 338.458 2.620 30 40 EFEB N#Cc1cccc(CNCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)c1 54179449 YREPWADSCWSHFQ-IBGZPJMESA-N 348.450 2.550 30 40 EFEB Cc1ccccc1/C(O)=N/S(=O)(=O)c1ccc(F)cc1[N+](=O)[O-] 79072732 POYVWRYHFAUCTP-UHFFFAOYSA-N 338.316 2.736 30 40 EFEB CN(Cc1ccccc1)C[C@H](C#N)[C@H](O)c1ccc([N+](=O)[O-])cc1 58159372 KJGIXGGJUXKFTJ-FUHWJXTLSA-N 325.368 2.900 30 40 EFEB Cc1cccc(NC(=O)[C@@H](C#N)C(=O)CCc2nc(C3CC3)no2)c1 102708226 MZMQYZDJIDSDNU-AWEZNQCLSA-N 338.367 2.536 30 40 EFEB COC(=O)c1ccc2c(=O)[nH]c(/C=C/c3cccc(C#N)c3)nc2c1 48325462 HXLQMGHDSNRWNX-VMPITWQZSA-N 331.331 2.752 30 40 EFEB CS(=O)(=O)CC1(CNc2ccc(Br)cc2C#N)CC1 96008494 VHOFAIQPVRNVRC-UHFFFAOYSA-N 343.246 2.557 30 40 EFEB C=CCN(Cc1ccc(C#N)cc1)C(=O)CNC(=O)c1ccccc1C 65522542 MPSLZCAPRDYNFV-UHFFFAOYSA-N 347.418 2.811 30 40 EFEB N#C[C@@H](c1ccccc1)N1CCN(C(=O)c2ccc(F)c(F)c2)CC1 14158389 DQFNCFIGKGXUBZ-SFHVURJKSA-N 341.361 2.987 30 40 EFEB N#Cc1ccccc1OCC(=O)N1CCC[C@H]1c1noc(C2CC2)n1 84497812 STJKOGHABXHVNK-AWEZNQCLSA-N 338.367 2.561 30 40 EFEB CCCCN/C(=N/CC)NCc1ccc(CN2CCCC2=O)cc1 95396958 RIEAWIYYAHHJDR-UHFFFAOYSA-N 330.476 2.664 30 40 EFEB CCOc1ccccc1N1CC(=O)C(c2nc3ccccc3n2C)=C1N 7995060 OOWWSOSTDJPJPL-UHFFFAOYSA-N 348.406 2.689 30 40 EFEB N#CC1(CS(=O)(=O)N[C@@H](c2cc(F)ccc2F)C2CC2)CC1 95944281 RATHYVYWNHNGON-CQSZACIVSA-N 326.368 2.639 30 40 EFEB CC(C)c1cc(C(=O)N(CCC#N)c2ccc3c(c2)OCCO3)n[nH]1 75137400 NIMJNKFMDZVPEJ-UHFFFAOYSA-N 340.383 2.865 30 40 EFEB N#Cc1ccc(CNC(=O)NCCOc2ccc(Cl)cn2)c(F)c1 89768266 WSMXVZPHBBJPNW-UHFFFAOYSA-N 348.765 2.624 30 40 EFEB C[C@@H]1CCN(C(=O)[C@@H](C#N)Cc2ccc(C#N)cc2)C[C@@H]1n1ccnc1 280449358 RHFDVBWDGHCFCL-LZQZEXGQSA-N 347.422 2.547 30 40 EFEB Cc1ccc(NC(=S)N/N=C2\C(=O)N(C)c3ccccc32)c(C)c1 6507379 HJQWIVCWFGFEPM-SILNSSARSA-N 338.436 2.971 30 40 EFEB N#Cc1ccc(CS(=O)(=O)CC(=O)NCCC2CCCCC2)cc1 40548541 RGRPZACRDUYMQH-UHFFFAOYSA-N 348.468 2.560 30 40 EFEB C[C@H]1CN(CCC(=O)Nc2sc3c(c2C#N)CCC3)[C@@H](C)CO1 106515423 PBAAZBVYNQPIIB-RYUDHWBXSA-N 333.457 2.546 30 40 EFEB N#Cc1cc(C(=O)Nc2ccc(N3CCOCC3)nc2)ccc1Cl 95465599 WPJSNXSFHQGUCE-UHFFFAOYSA-N 342.786 2.696 30 40 EFEB N#Cc1ccccc1OS(=O)(=O)c1ccc2c(c1)CCCC(=O)N2 55949452 RSIZXNIFVAWPIR-UHFFFAOYSA-N 342.376 2.601 30 40 EFEB N#CC1(NC(=O)c2cc(Cl)ccc2OC(F)F)CCOCC1 95441863 RLNVLKKNYAORLT-UHFFFAOYSA-N 330.718 2.744 30 40 EFEB N#Cc1cccc(S(=O)(=O)NCc2cc(-c3ccccc3)on2)c1 58167855 RSOBXXXZVPGPDF-UHFFFAOYSA-N 339.376 2.692 30 40 EFEB NC(=S)/C(=N/Nc1c(Cl)cccc1Cl)C(=O)N1CCCC1 4477731 AXGNWPOKAZCSPT-WQRHYEAKSA-N 345.255 2.670 30 40 EFEB N#Cc1ccc(CS(=O)(=O)NCC2(c3ccccc3)CC2)cc1 14098536 IEIAGKCFNDZYTL-UHFFFAOYSA-N 326.421 2.709 30 40 EFEB C=CCN(Cc1nc(-c2ccc(OC)cc2)no1)C(=O)NCCC 6743992 NZCBKMBBAUROIW-UHFFFAOYSA-N 330.388 2.853 30 40 EFEB CC1(C)CO[C@@H](c2ccccc2)CN1CC(=O)NC1(C#N)CCCC1 66897321 QTJWGANWXPNBEG-QGZVFWFLSA-N 341.455 2.791 30 40 EFEB CCOCCN1CCN(C(=O)Nc2ccc(CC#N)cc2)C[C@@H]1CC 97164629 WNMKACMYAFMLNR-SFHVURJKSA-N 344.459 2.717 30 40 EFEB COc1cc(C#N)ccc1OCCCC(=O)N(C)c1c(C)noc1C 72306741 PNLSANQRDWBWOK-UHFFFAOYSA-N 343.383 2.994 30 40 EFEB COC(=O)C1(C#N)CCN(C(=O)c2csc3ccccc23)CC1 521394724 HWWFIDCHLGVTHV-UHFFFAOYSA-N 328.393 2.820 30 40 EFEB CCOC(=O)[C@](C#N)(C(=O)c1ccccc1[N+](=O)[O-])c1ccccc1 3845125 JJCSCCUPUSPLPE-SFHVURJKSA-N 338.319 2.802 30 40 EFEB biogenic COc1ccc(/C(C)=N/NCc2ccc(OC)c(OC)c2)c(O)c1 216058144 QBORTVDXSDIBRR-UDWIEESQSA-N 330.384 2.932 30 40 EFEB CN(CCC#N)C(=O)Nc1ccc(-n2nncc2C(F)(F)F)cc1 85580803 KAHANMXBYFAOPK-UHFFFAOYSA-N 338.293 2.663 30 40 EFEB C[C@@H](N=c1cc(C#N)cn[nH]1)[C@@H](OC1CCOCC1)c1ccccc1 596169693 KDRCQJLASKNEJN-AUUYWEPGSA-N 338.411 2.507 30 40 EFEB Cc1cc([C@H]2CCCN2C(=O)[C@H](C)Oc2cccc(C#N)c2)on1 71827041 RWQZSWSEKKYPTA-XJKSGUPXSA-N 325.368 2.986 30 40 EFEB NC(=S)N/N=C/c1cn(-c2ccccc2)nc1-c1cccs1 3066268 QBKKUSGHAYXOHD-RQZCQDPDSA-N 327.438 2.768 30 40 EFEB CCOC(=O)C/C(C)=N/Nc1cc(Cl)c([N+](=O)[O-])cc1[N+](=O)[O-] 16682223 WLNCQSXQTMILQF-VGOFMYFVSA-N 344.711 2.897 30 40 EFEB C=CCO[C@H]1CCN(C(=O)c2cc(OC)no2)[C@H]1Cc1ccccc1 2055718088 HUPPWBGLAFBBPY-HOTGVXAUSA-N 342.395 2.712 30 40 EFEB N#Cc1ccc(CCC(=O)NCc2nccnc2-c2cccnc2)cc1 575621093 YBGSXFQNAZWTGD-UHFFFAOYSA-N 343.390 2.659 30 40 EFEB CN(C)c1ccc(/C=C/C(=O)[C@@H](C#N)C(=O)Nc2ccccn2)cc1 102140950 OYEVQPKZNMAKJI-YCABEKBOSA-N 334.379 2.508 30 40 EFEB CC(=O)N1Cc2ccccc2C[C@H]1C(=O)OCc1ccc(C#N)cc1 3339325 YVSWDPCIYMZTPY-IBGZPJMESA-N 334.375 2.575 30 40 EFEB COc1cccc(-c2cc3nc(-c4cccnc4)c(C#N)c(N)n3n2)c1 19797071 MCQTWYCVSBOGHI-UHFFFAOYSA-N 342.362 2.921 30 40 EFEB N#Cc1cc([N+](=O)[O-])ccc1NCCNC(=O)c1c(F)cccc1F 71903135 DBVDHRYXHQXBSZ-UHFFFAOYSA-N 346.293 2.587 30 40 EFEB Cc1cccc(N=C[C@@H]2C(=O)NC(=O)N([C@@H]3C[C@H]4CC[C@H]3C4)C2=O)c1 408527377 NKPXGNQJHOPWCJ-WMHQRMGPSA-N 339.395 2.581 30 40 EFEB Cc1nn(CCOc2cc(F)cc(Br)c2)c(N)c1C#N 187175439 GNZOVGFBFBXOAV-UHFFFAOYSA-N 339.168 2.626 30 40 EFEB N#Cc1cc(NC[C@H]2CCN(c3ccccc3)C2)cc(N)c1[N+](=O)[O-] 330031793 DJIMJLQWMSSAIA-CYBMUJFWSA-N 337.383 2.987 30 40 EFEB N#CCN1CCC2(CC1)OCCN(Cc1cccnc1)c1ccccc12 96243963 SYEREPDJOWRAEM-UHFFFAOYSA-N 348.450 2.933 30 40 EFEB C=C(C)Cn1c(Cc2ccncc2)nnc1N1CCO[C@@H](C(C)C)C1 1615586692 DLKNVSWZROMPQZ-QGZVFWFLSA-N 341.459 2.701 30 40 EFEB CC(C)OC(=O)C1=C(N)OC2=C(C(=O)CCC2)[C@H]1c1ccccc1 5381301 CQFXWUGPOBKWQU-OAHLLOKOSA-N 327.380 2.929 30 40 EFEB CC(C)[C@H](NC(=O)c1ccccc1)C(=O)N(C)Cc1ccc(C#N)cc1 25114723 UCNIZGOQSLADFO-IBGZPJMESA-N 349.434 2.971 30 40 EFEB O=C1/C(=N\c2ccccc2F)c2ccccc2N1CN1CCOCC1 16524170 RIOZXNVQHIHDFO-UZYVYHOESA-N 339.370 2.583 30 40 EFEB CN(C)S(=O)(=O)c1cccc(C(=O)/C=C/c2ccc(C#N)cc2)c1 44027786 DYEOEQLIZORFAX-ZHACJKMWSA-N 340.404 2.705 30 40 EFEB C=CCNc1nnc(Sc2nc3sccn3c2[N+](=O)[O-])s1 9114970 XKNQXXZTMJYZAX-UHFFFAOYSA-N 340.415 2.905 30 40 EFEB C/N=C1\S[C@H](C(=O)Nc2ccc(Cl)c(Cl)c2)CC(=O)N1C 2727790 PPXZPYAQYODHOV-VQZCRYCJSA-N 346.239 2.882 30 40 EFEB COC[C@H](C)n1c(COc2ccccc2F)nnc1SCC#N 3346739 UNCJRHWSSPSYSD-NSHDSACASA-N 336.392 2.819 30 40 EFEB N#CCC[C@H](C#N)Cn1cnc2ccc(Br)cc2c1=O 14183550 RMJMDQISVNNXDU-SNVBAGLBSA-N 331.173 2.603 30 40 EFEB Cn1cc(C#N)cc1C(=O)NCc1nnc(-c2ccc(Cl)cc2)o1 81551829 TURQXMBTELPQBM-UHFFFAOYSA-N 341.758 2.530 30 40 EFEB CC(=O)C1=C(O)C(=O)N(CCCCCC(=O)O)[C@@H]1c1ccc(F)cc1 18046634 AKILSPJWBHXIAJ-MRXNPFEDSA-N 349.358 2.755 30 40 EFEB CC[C@@H]1CN(C(=O)C2CC2)CC[C@@H]1NCc1ccc(OC)c(C#N)c1 89948873 LDNYERAMFHJPME-QAPCUYQASA-N 341.455 2.694 30 40 EFEB COC(=O)c1ccc(/N=C/c2cn(CC(N)=O)c3ccccc23)c(C)c1 409384430 BMIRVIQMJFWQSW-LSHDLFTRSA-N 349.390 2.972 30 40 EFEB O=c1c2ccccc2nc(O)n1N=Cc1cccn1-c1ccccc1F 409364359 XNFIJFFLKBZOTL-UHFFFAOYSA-N 348.337 2.914 30 40 EFEB Cc1ccc(S(=O)(=O)[C@@H]2[C@@H](c3ccccc3)[C@]2(C#N)C=O)cc1 218043264 BZJSWOFGLCEHBZ-KURKYZTESA-N 325.389 2.644 30 40 EFEB N#C[C@]1(CO)[C@@H](S(=O)(=O)c2ccc(Cl)cc2)[C@@H]1c1ccccc1 218055518 NLPBNIVXKUFUDM-YESZJQIVSA-N 347.823 2.782 30 40 EFEB O=S1(=O)C[C@H](N2CCCCC2)C2=C(O1)c1ccccc1SC2 31750903 WNHLTMYNRXPXAT-AWEZNQCLSA-N 337.466 2.718 30 40 EFEB C=CCN(c1ccc2c(c1)OCO2)S(=O)(=O)c1ccc(F)cc1 224912066 WIYYONWUYSGFNY-UHFFFAOYSA-N 335.356 2.936 30 40 EFEB CN(CCCO)C1CCN(c2ccc(C(F)(F)F)c(C#N)c2)CC1 97144869 MHBCVZXZDGWNSY-UHFFFAOYSA-N 341.377 2.860 30 40 EFEB O=C1[C@H]2[C@@H]3C=C[C@H](CC3)[C@@H]2C(=O)N1/N=C/c1ccc(Br)o1 169616508 PUQOAMYQHUAWOD-KJJBKJCDSA-N 349.184 2.573 30 40 EFEB Oc1ccccc1/C=N/Nc1nnnn1-c1cccc2ccccc12 4380213 XEMAVQODRHGEGJ-XDHOZWIPSA-N 330.351 2.967 30 40 EFEB CO[C@@H](C)C(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1 40556087 NRCNIJBBTDMGET-VIFPVBQESA-N 334.426 2.675 30 40 EFEB CCN(C(C)=O)c1nc(C=C2C(=O)c3ccccc3C2=O)cs1 32845213 IFGBMWPHPHCMPY-UHFFFAOYSA-N 326.377 2.979 30 40 EFEB Cc1n[nH]c(NN=C(Cc2ccccc2)Cc2ccccc2)nc1=O 11859665 OVSKTFDCMWAWBI-UHFFFAOYSA-N 333.395 2.727 30 40 EFEB C=CCN1C(=O)c2ccccc2N[C@@H]1c1cnc(N2CCCC2)nc1 48366293 HWYDDBXAXAOXAR-KRWDZBQOSA-N 335.411 2.829 30 40 EFEB O/C(CN1CCN2CCC[C@@H]2C1)=N\c1nnc(C2CCCCC2)s1 23477189 LZDWBUNGSQPZLO-CQSZACIVSA-N 349.504 2.954 30 40 EFEB Cc1nc(CN(C)S(=O)(=O)c2ccc(Cl)cc2C#N)cs1 96427826 XIFOCELXHIFBOP-UHFFFAOYSA-N 341.845 2.797 30 40 EFEB Cc1nc(C(C)(C)C)[nH]c(=O)c1C(=O)N[C@@H](C)c1cccc(C#N)c1 96446880 HSXMBVFBHCOKHK-NSHDSACASA-N 338.411 2.739 30 40 EFEB C#CCN1CCC(C(=O)N2CC[C@H](CSc3ccccc3)C2)CC1 81287214 FNVIUIBIUSGESP-KRWDZBQOSA-N 342.508 2.972 30 40 EFEB C[C@H](OC[C@H]1CCCO1)/C(O)=N/S(=O)(=O)c1ccc(Cl)cc1 69282143 KVNBDFCMTPDCBH-CMPLNLGQSA-N 347.820 2.569 30 40 EFEB N#Cc1ccccc1NC(=O)CCN1C[C@H](O)C[C@@H]1C1CCCCC1 71908279 JTLNTEVGBGYMRH-IEBWSBKVSA-N 341.455 2.902 30 40 EFEB COc1cc(C)c(S(=O)(=O)Cc2cccc(C#N)c2)cc1OC 84077423 QURNTYVBPHIJIV-UHFFFAOYSA-N 331.393 2.858 30 40 EFEB O=[N+]([O-])c1ccc(/C=N\NC(=S)Nc2ccc3cn[nH]c3c2)cc1 34799609 RLBYZJQCCHFAJI-PXNMLYILSA-N 340.368 2.792 30 40 EFEB O=C(O)C[C@@H](S/C(=N\[C@@H]1CC=CCC1)N1CCCCC1)C(=O)O 34798410 CAESNQJXRTYTJX-SDGVZRARSA-N 340.445 2.598 30 40 EFEB C[C@@H]1O[C@H](C)[C@H](C(=O)N2CCC[C@](C#N)(c3ccccn3)C2)[C@@H]1C 529521746 ZTTRCUDJADTTHT-VLKZTRAZSA-N 327.428 2.525 30 40 EFEB C[C@@](CO)(NC(=O)Nc1cccc(C#Cc2ccccn2)c1)C1CC1 84878511 YETGFWSXMMPOKF-FQEVSTJZSA-N 335.407 2.764 30 40 EFEB C#Cc1cccc(NC(=O)CNC(=O)N[C@@H](C)c2cccc(F)c2)c1 56366065 GXPLTBQUXAHZTH-ZDUSSCGKSA-N 339.370 2.806 30 40 EFEB CCCc1nc(C#N)c(N2CCN(c3ccc(OC)cc3)CC2)o1 26841712 IYGMCTCXCJUGPC-UHFFFAOYSA-N 326.400 2.834 30 40 EFEB COC(=O)[C@@H]1Oc2c(c(=O)oc3ccccc23)[C@@H]1c1ccc(C#N)cc1 85413226 BKGFTIYJADDZJS-MAUKXSAKSA-N 347.326 2.731 30 40 EFEB C=CCNC(=O)[C@H](C)N1CCC(C(=O)c2ccc(Cl)cc2)CC1 60482942 RSUGTNMXAKNRGH-ZDUSSCGKSA-N 334.847 2.925 30 40 EFEB CCNC(=S)N/N=C/c1cc(C)n(-c2ccc(C#N)cc2)c1C 107897148 CENICXKSOIJEAF-RGVLZGJSSA-N 325.441 2.784 30 40 EFEB CC(C)[C@@](C)(C#N)NC(=O)COc1cc2ccccc2cc1C(=O)O 13049964 KEPBQKLPNNPBLI-LJQANCHMSA-N 340.379 2.971 30 40 EFEB Cc1nc(N/C(N)=N/C(=O)NC2CCCCC2)nc2ccccc12 13656131 UIMLXGUORUFPOZ-UHFFFAOYSA-N 326.404 2.707 30 40 EFEB C=CCn1c([C@@H](C)NC(=O)Cc2ccc(OC)cc2)n[nH]c1=S 4777262 FVJVUTNPNLSHHY-LLVKDONJSA-N 332.429 2.555 30 40 EFEB C=CCNC(=S)N/N=C/c1cc([N+](=O)[O-])c(Cl)cc1Cl 5638993 ZIVGUOXGBWDYKY-GIDUJCDVSA-N 333.200 2.886 30 40 EFEB N#Cc1c(CCCCCNc2ncnc3sccc23)n[nH]c1N 7738342 LJLWKEPEVPEYEZ-UHFFFAOYSA-N 327.417 2.693 30 40 EFEB Cc1cc(N[C@H]2CCCCNC2=O)n2c(nc3ccccc32)c1C#N 84109980 FLSPVQKRAJNMTI-HNNXBMFYSA-N 333.395 2.748 30 40 EFEB C=C[C@@](C)(CC)C(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1F 187947838 IKWJKUHJWMQSKZ-HNNXBMFYSA-N 328.409 2.617 30 40 EFEB C=CCN1C(=O)S/C(=C\Nc2ccc(C(=O)OCC)cc2)C1=O 36636230 AUWILBVVSQNMPW-RAXLEYEMSA-N 332.381 2.998 30 40 EFEB CCS(=O)(=O)Nc1ccc(NC(=O)C#Cc2ccccc2)cc1C 80582312 GVAMNIPKEVMPQY-UHFFFAOYSA-N 342.420 2.747 30 40 EFEB C[C@H](CN1CCN(C)CC1)Nc1cc(C#N)ccc1C(F)(F)F 97163577 WUGPJYNOYFGFQW-GFCCVEGCSA-N 326.366 2.625 30 40 EFEB N#Cc1ccc(NC(=O)NCCCNC(=O)C2CCC2)cc1Cl 153685217 SYWGEQFFNIHDLB-UHFFFAOYSA-N 334.807 2.640 30 40 EFEB C[C@@H]1CN(CC(=O)/C=C2/N(C)c3ccccc3C2(C)C)C[C@@H](C)O1 16444068 UONKVAVXWGMOFA-LBDLAYEZSA-N 328.456 2.976 30 40 EFEB COc1ccc(CCC(=O)[C@H](C#N)C(=O)NC2CCCCC2)cc1 50679036 LSVCSRORRRQVAQ-KRWDZBQOSA-N 328.412 2.786 30 40 EFEB CC(C)c1nc(CN2CCN(c3cc(C#N)ccn3)CC2)cs1 40540315 SGKIDDHGKMKVDE-UHFFFAOYSA-N 327.457 2.855 30 40 EFEB CCc1noc([C@H](C)N2CCN(c3cccc(F)c3C#N)CC2)n1 40520417 NCGAHSHYHJFKMT-LBPRGKRZSA-N 329.379 2.526 30 40 EFEB CN(Cc1cnn(C)c1)C(=O)Nc1cccc(OCCCC#N)c1 47735576 GGRSBNIIVZCJRX-UHFFFAOYSA-N 327.388 2.767 30 40 EFEB C[C@@H](CN(C)C)C(=O)C(=Cc1ccccc1)C(=O)[C@@H](C)CN(C)C 1587250 YUCPANIBZSZJSW-HOTGVXAUSA-N 330.472 2.604 30 40 EFEB Cc1nc2n(n1)[C@@H](c1cccc([N+](=O)[O-])c1)C1=C(C[C@H](C)CC1=O)N2 10339527 PVZXPXHEYYJYOI-FVMDXXJSSA-N 339.355 2.763 30 40 EFEB Cc1nn(C)c(C)c1C(=O)/C=C/c1cccc(O[C@H](C)C(=O)O)c1 58465105 AAQQPOKHBSJZOP-MMQHEFTJSA-N 328.368 2.785 30 40 EFEB N#Cc1ccc(NC(=O)CNc2ccccc2N2CCCC2=O)cc1 12517298 LDSPVLJVPZILJL-UHFFFAOYSA-N 334.379 2.736 30 40 EFEB COc1cccc(C(=O)O[C@H](C)C(=O)NC2(C#N)CCCCC2)c1 11495873 MDPKGIZOUCTHRY-CYBMUJFWSA-N 330.384 2.583 30 40 EFEB Cc1nc2ccccc2n1CCNC(=O)NCc1ccc(C#N)cc1 48172690 SVRRFJLPDFTMMD-UHFFFAOYSA-N 333.395 2.716 30 40 EFEB C=CCn1c(S[C@@H]2CCOC2=O)nc2sc(CC)cc2c1=O 3456430 ZQOIHLKVRVNJPV-LLVKDONJSA-N 336.438 2.614 30 40 EFEB C=CCN1C(=O)c2ccc(C(=O)OCc3cccc(F)c3)cc2C1=O 5569457 TUQCLBBSQONQOT-UHFFFAOYSA-N 339.322 2.965 30 40 EFEB C[C@@H](O/N=C/c1ccc(OC(F)F)cc1)C(=O)NCC(F)(F)F 15315022 IXEAFOJDVGGQOF-YVERCTOFSA-N 340.248 2.706 30 40 EFEB C=CCNC(=O)NC(=O)CSc1cc(C)c2cccc(C)c2n1 7787250 GUARKWSECWJYGC-UHFFFAOYSA-N 329.425 2.956 30 40 EFEB C=CCNC(=O)[C@@H](C)N1CCC(c2nc(-c3ccccc3)no2)CC1 69509933 ZBXCRRVMMZAYHN-CQSZACIVSA-N 340.427 2.607 30 40 EFEB C=CCc1cc(C(=O)Nc2nc(C)cc(OC)n2)cc(OC)c1OC 95986319 DXLMLFOEWQBUEE-UHFFFAOYSA-N 343.383 2.792 30 40 EFEB CCn1cc(/C=N/N2C(=O)[C@@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)c2ccccc21 409223573 INXJXUUZWWXROV-CGCVVEAISA-N 333.391 2.802 30 40 EFEB CNC(=S)NCCCNc1nc2cc(C)c(C)cc2cc1C#N 35312849 DXEMBMLPRVTQKK-UHFFFAOYSA-N 327.457 2.619 30 40 EFEB CC1=NN(c2ccc(C(=O)[C@@H](C#N)C(=O)Nc3ccccn3)cc2)CC1 125258463 PKVOREPVFZLMAM-MRXNPFEDSA-N 347.378 2.629 30 40 EFEB N#Cc1cc(C(=O)Nc2cnc3c(c2)COCC3)cnc1C(F)(F)F 590322525 MJNSXQWPFUCVAS-UHFFFAOYSA-N 348.284 2.692 30 40 EFEB COc1ccccc1NC(=O)[C@H](C)OC(=O)c1ccccc1CC#N 22558472 CUICKWPGISYJOK-ZDUSSCGKSA-N 338.363 2.945 30 40 EFEB N#C[C@@H](C(=O)COc1ccc2ccccc2c1)C(=O)Nc1ccccn1 104055667 QQIXKDQVIYXYJO-KRWDZBQOSA-N 345.358 2.961 30 40 EFEB C[C@@](C#N)(NC(=O)COC(=O)C1(c2cccc(F)c2)CCC1)C1CC1 42728973 OOCPHNMOTCDDJZ-SFHVURJKSA-N 344.386 2.599 30 40 EFEB C[C@@H]1CN(C[C@H]2CCCN2C(=O)Nc2cccc(C#N)c2)C[C@@H](C)O1 106144237 SYPSXSGKQUTWJB-IIDMSEBBSA-N 342.443 2.664 30 40 EFEB N#C[C@H](C1CCCCC1)N1CCN(C(=O)[C@H]2C[C@@H]2c2ccco2)CC1 106576031 VAUFEULEDWIHCC-OKZBNKHCSA-N 341.455 3.000 30 40 EFEB CC/N=C1\S[C@H](CC(=O)Nc2cccc(OCC)c2)C(=O)N1CC 4700752 VMXWRPKZJJHCOS-MGPWXQLLSA-N 349.456 2.754 30 40 EFEB CC(C)c1nnnn1C/C(O)=N/c1nc(-c2ccc(Cl)cc2)n[nH]1 95405885 XRGQIOUBKKTJBR-UHFFFAOYSA-N 346.782 2.523 30 40 EFEB C=CCN/C(=N/C#N)SCC(=O)c1ccc(Br)cc1 6303581 KTUPMUHBBHJPBM-UHFFFAOYSA-N 338.230 2.978 30 40 EFEB COc1ccc(NC(=O)CN(C)C/C(O)=N/c2ccccc2)cc1 82097268 LTWHCMQLMZKVOM-UHFFFAOYSA-N 327.384 2.854 30 40 EFEB CC1(C)CO[C@@H](c2ccccc2)CN1CC(=O)N[C@@](C)(C#N)C1CC1 69814551 FTOVRUYNOFLMEJ-XLIONFOSSA-N 341.455 2.647 30 40 EFEB CC[C@H](NCc1ccc(F)c(C#N)c1)c1cccc(S(N)(=O)=O)c1 97084084 QZOVBZMMUNZMNN-KRWDZBQOSA-N 347.415 2.586 30 40 EFEB C[C@H](CS(=O)(=O)NCc1cc(C#N)ccc1F)c1ccccc1 89904111 SNIHCAGKIXHALY-CYBMUJFWSA-N 332.400 2.920 30 40 EFEB CC(=O)C(C(=O)Nc1ccc(C)c(C)c1)=C1SC(C(=O)O)S1 62716061 KWCOGXQAAZUWLL-UHFFFAOYSA-N 337.422 2.933 30 40 EFEB C[C@@](C#N)(NC(=O)CSc1nc2ncc(Cl)cc2[nH]1)C1CC1 9367020 GKEAXVRJBXXQDM-AWEZNQCLSA-N 335.820 2.512 30 40 EFEB Cc1cccc2c(NC[C@@H](c3cnn(C)c3)N(C)C)c(C#N)cnc12 78290459 JKQRBOJRRUEXJE-KRWDZBQOSA-N 334.427 2.863 30 40 EFEB N#C[C@@]1(c2ccccn2)CCCN(C(=O)COc2ccccc2F)C1 585113352 SBCVIWZOFOVANN-IBGZPJMESA-N 339.370 2.683 30 40 EFEB CCC[C@@H](C#N)NC(=O)[C@@H]1Cc2ccccc2O[C@H]1C(F)(F)F 602296979 MMSWXMRQDHBTSU-OUCADQQQSA-N 326.318 2.977 30 40 EFEB COc1ccc(C(=O)/C=C2/Nc3cc(O)ccc3C2=O)cc1OC 100224167 RXJVXNVMGRPXJE-NTEUORMPSA-N 325.320 2.784 30 40 EFEB COc1cccc(C(=O)N2CCC[C@@H](Oc3cc(C#N)ccn3)C2)c1 575604761 ATTSVMMCORJZJJ-QGZVFWFLSA-N 337.379 2.645 30 40 EFEB Cc1c([N+](=O)[O-])cc(/C(=N\O)c2ccc([N+](=O)[O-])cc2)cc1[N+](=O)[O-] 100998370 NGIVKSACOXXHKE-PFONDFGASA-N 346.255 2.946 30 40 EFEB CSCC[C@H](C)NS(=O)(=O)Cc1ccc(Cl)cc1C#N 96004692 RNBVBHBBLFAGPA-JTQLQIEISA-N 332.878 2.773 30 40 EFEB N#CC1(NC(=O)CSc2nnc(-c3ccccc3)o2)CCCC1 5021202 WDWCTAPZUUKWGW-UHFFFAOYSA-N 328.397 2.781 30 40 EFEB COc1ccc(C)cc1N1CC(=O)C(c2nc3ccccc3[nH]2)=C1N 5009257 WLWZKRGFWBFABZ-UHFFFAOYSA-N 334.379 2.597 30 40 EFEB N#CC1(NC(=O)c2ccc(F)c(COCC3CC3)c2)CCOCC1 96431081 CKWRJHSKOZUICL-UHFFFAOYSA-N 332.375 2.555 30 40 EFEB COCC[C@@H](C)/C(O)=N/S(=O)(=O)c1ccc(F)c2ncccc12 80286417 UYXGMTGRFAOPHN-SNVBAGLBSA-N 340.376 2.692 30 40 EFEB COc1cccc(OC)c1OC1CCN(C(=O)C(C)(C)C#N)CC1 71817388 OPTTZCIXOIHMOK-UHFFFAOYSA-N 332.400 2.623 30 40 EFEB N#Cc1ccc(C(=O)N2C[C@@H](O)C[C@H]2c2cc(F)ccc2F)cc1 91767246 LZZXIMOWDZDMMG-YOEHRIQHSA-N 328.318 2.785 30 40 EFEB C=CCN(Cc1nccn1CC)S(=O)(=O)c1cccc(Cl)c1 69698444 IMYZUXINHPXDAR-UHFFFAOYSA-N 339.848 2.933 30 40 EFEB Cc1nc(NS(=O)(=O)c2ccc(C#N)nc2)c(Cl)cc1Cl 97047012 SLQAWTWPUROUHV-UHFFFAOYSA-N 343.195 2.764 30 40 EFEB CC[C@@H](O)[C@@H]1CCCCN1S(=O)(=O)c1cc(Cl)ccc1C#N 95433062 JQCDWOVQGHIGAE-UONOGXRCSA-N 342.848 2.526 30 40 EFEB CC1CCC(N2C[C@@H](C(=O)[C@H](C#N)c3ccccn3)CC2=O)CC1 67001590 OJMYKYVKWPEACL-BHDPWAOGSA-N 325.412 2.685 30 40 EFEB C[C@](O)(CNC(=O)NCC#Cc1ccccc1)c1ccc(F)cc1F 79349252 NCNRIMKIBMFTJY-IBGZPJMESA-N 344.361 2.523 30 40 EFEB COC(=O)[C@H](c1ccc([N+](=O)[O-])c(C#N)c1)c1ccccc1OC 169800214 AVNYOSZMFNMQQA-MRXNPFEDSA-N 326.308 2.780 30 40 EFEB C[C@H](Oc1ccc(C#N)cc1)C(=O)NCC(C)(C)N1CCCCC1 42159890 DKFYZZGKCAATLO-HNNXBMFYSA-N 329.444 2.706 30 40 EFEB Cc1n[nH]c(-c2ccc(C(=O)NCc3cccc(OCC#N)c3)cc2)n1 78966222 RMYJPZPWWPRTGC-UHFFFAOYSA-N 347.378 2.613 30 40 EFEB C#CCn1cnc2c(NC(=O)CCCOc3ccccc3C)ncnc21 72275018 URKSOSSEFNEKDO-UHFFFAOYSA-N 349.394 2.566 30 40 EFEB C=CCN(C(=O)c1ccc(S(=O)(=O)NC(C)(C)C)cc1)C1CC1 95459342 PWCMYZHKURLIFZ-UHFFFAOYSA-N 336.457 2.554 30 40 EFEB CCCCCCCCN(CCOCCOCCO)C(=O)OCC 100934521 PGOHRSQKXUVANR-UHFFFAOYSA-N 333.469 2.831 30 40 EFEB N#CCSc1nc2ccccc2c2nc(=O)c(-c3ccccc3)nn12 95469499 JSDQIAVVFTYSRF-UHFFFAOYSA-N 345.387 2.920 30 40 EFEB COc1ccc(OC)c(/C=N/OCC(=O)N(C)Cc2ccccc2)c1 29463388 FBPUMWVJBUXKPP-UDWIEESQSA-N 342.395 2.713 30 40 EFEB C=C1CCN(C(=O)c2ccc(S(=O)(=O)C(F)(F)F)cc2)CC1 65515542 DUHGJLPXXQMXAW-UHFFFAOYSA-N 333.331 2.772 30 40 EFEB CC1(C)Cc2ccccc2/C(=C/C(=O)C(=O)Nc2nccs2)N1 4720759 GCHMMPLFBKKYRQ-LCYFTJDESA-N 327.409 2.616 30 40 EFEB C[C@@H](OC(=O)c1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(C#N)cc1 5673902 SFFODBWZBNBCEJ-LLVKDONJSA-N 339.307 2.650 30 40 EFEB C[C@H](N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O)c1cncc(F)c1 96500307 AOQLAMMWIONZOD-UGSOOPFHSA-N 338.386 2.939 30 40 EFEB C[C@H](c1cccc(O)c1)N(C)CCS(=O)(=O)c1ccc(C#N)cc1 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N#Cc1cc(N2CCN(C(=O)CC(F)(F)F)CC2)nc2ccccc12 96412863 LMXPSUDLDKIZQD-UHFFFAOYSA-N 348.328 2.707 30 40 EFEB O=S(=O)(CC1CC1)/N=C(\O)c1ccc(F)c(Br)c1 96442108 QQAVAZSHDICTKK-UHFFFAOYSA-N 336.182 2.633 30 40 EFEB C=C(C)Cn1c(CC(F)(F)F)nnc1N1CCO[C@H](C(C)C)C1 580191594 OSWNHZPGYNMMHM-LBPRGKRZSA-N 332.370 2.820 30 40 EFEB C[C@H](NC(=O)N1CCC[C@@H]2CN(C)CC[C@@H]21)c1ccc(C#N)cc1 96497179 VVHBBJCFOCYYGN-QGTPRVQTSA-N 326.444 2.745 30 40 EFEB CCN(C[C@H](C)C#N)C(=O)Nc1ccc2c(c1)CCC(=O)N2CC 97376578 MUBJRSXQRSTVDX-CYBMUJFWSA-N 328.416 2.999 30 40 EFEB CN(CC(=O)N[C@H](c1ccccc1)c1ccco1)c1ccc(C#N)cn1 96456286 IUWNZMASJDRARR-HXUWFJFHSA-N 346.390 2.888 30 40 EFEB COc1cc(C(=O)NCC(F)(C(F)(F)F)C(F)(F)F)sn1 585131089 LHSFXHTZMCVCNQ-UHFFFAOYSA-N 340.220 2.714 30 40 EFEB Cc1c(Cl)cnc(N2CCC(N(C)c3cccnn3)CC2)c1C#N 253419404 SGWVMHJGEMNWAY-UHFFFAOYSA-N 342.834 2.810 30 40 EFEB C=CCN1CCC(NC2CC3(C2)C[C@@H]3NC(=O)OC(C)(C)C)CC1 1616035022 ZFXMRNKEKBLZLG-WUJZJPHMSA-N 335.492 2.672 30 40 EFEB 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JBUDZMIJYYRRCX-UHFFFAOYSA-N 340.880 2.607 30 40 EFEB N#Cc1ccc(C(F)(F)F)nc1N[C@@H]1CCO[C@@]2(CCOC2)C1 95458048 VEWYVXWQOHGTLY-RISCZKNCSA-N 327.306 2.722 30 40 EFEB C[C@H]1CCc2c(sc(=O)n2CN(C)Cc2cccc(C#N)c2)C1 69700725 LVKAVURDJAQNTP-ZDUSSCGKSA-N 327.453 2.996 30 40 EFEB C=CCNC(=O)N1CCN(c2nc3c(C)c(C)ccc3s2)CC1 38551124 KSPOKCCMPRTGBI-UHFFFAOYSA-N 330.457 2.931 30 40 EFEB C=CCn1c(S[C@@H](C)c2nnnn2C)nnc1-c1ccccc1C 189091739 BJJNWAQCDWVRTI-LBPRGKRZSA-N 341.444 2.816 30 40 EFEB COc1ccc([C@H](CN[C@H]2CCC[C@H](C#N)C2)N2CCOCC2)cc1 185757662 ZGINJGQDPRBLHO-QRFRQXIXSA-N 343.471 2.740 30 40 EFEB C=CCN1CCC(NC(=O)Cc2ccc(Br)s2)CC1 79310181 KNHBIIFRMJPZSD-UHFFFAOYSA-N 343.290 2.820 30 40 EFEB N#Cc1cc(N2CCOC3(CCOCC3)C2)ccc1C(F)(F)F 95944352 FPLGQKHRFHZZQO-UHFFFAOYSA-N 326.318 2.963 30 40 EFEB Cc1cnc(N2CCO[C@@]3(CCCN(c4cccc(C#N)c4)C3)C2)nc1 96226289 PLDGCCXVGCWYDN-HXUWFJFHSA-N 349.438 2.533 30 40 EFEB CC1(C#N)CCN(C(=O)Nc2cc(F)cc(N3CCOCC3)c2)CC1 272589260 VLZOEKUEJCSKLG-UHFFFAOYSA-N 346.406 2.820 30 40 EFEB COC1(CNc2ccc(Br)cc2C#N)CCOCC1 96008533 CWUZLYPSDVNHBV-UHFFFAOYSA-N 325.206 2.928 30 40 EFEB COc1ccc(/C=C/C(=O)NCCC(=O)Nc2cccc(C#N)c2)cc1 7265378 QWLXRZTXJUWSSW-JXMROGBWSA-N 349.390 2.725 30 40 EFEB N/C(=N\CCc1ccccc1)SCc1cc(=O)n2ccsc2n1 7665321 QFJSCWBJIUAZLP-UHFFFAOYSA-N 344.465 2.547 30 40 EFEB CC(C)(C)c1ccc([C@@H](C#N)NC(=O)COC[C@@H]2CCCO2)cc1 79095302 FGMVIZKUHFACRZ-DLBZAZTESA-N 330.428 2.861 30 40 EFEB CC(C)C[C@@H](C(=O)NCc1ccc(C#N)cc1F)N1CCCCC1=O 79069897 QTCOISVOHKXQPS-KRWDZBQOSA-N 345.418 2.741 30 40 EFEB COc1cc(OC)cc([C@@H](Nc2ccc(C#N)nc2)c2nccn2C)c1 79021707 YCCNBBDLNODNME-GOSISDBHSA-N 349.394 2.905 30 40 EFEB C=CCNC(=O)NC(=O)CSc1nccn1-c1cc(C)ccc1C 12532192 DPIGXVBKGIMAMX-UHFFFAOYSA-N 344.440 2.593 30 40 EFEB C=CCN(CC=C)C(=O)[C@H]1CCC(=O)N(C)[C@H]1c1ccccc1F 57355165 LFFUVAJUXWMXLN-YJBOKZPZSA-N 330.403 2.936 30 40 EFEB CCOc1ccc(S(=O)(=O)/N=C(\O)CC[C@H]2CCCO2)cc1 48452923 IWTSIQZXTOZZKW-GFCCVEGCSA-N 327.402 2.690 30 40 EFEB N#Cc1cccc(NC(=O)CSc2nnc3[nH]c4ccccc4n23)c1 3599235 BPPDNBBWGYBXCF-UHFFFAOYSA-N 348.391 2.813 30 40 EFEB Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)NC[C@H](C)c1ccccc1 15534172 WJGGFAMBBFNHLP-ZDUSSCGKSA-N 337.423 2.716 30 40 EFEB CC[C@@]1(c2ccc(OC)cc2)NC(=O)N(Cc2ccccc2C#N)C1=O 7467208 KHIGJLTUTDFSGB-FQEVSTJZSA-N 349.390 2.924 30 40 EFEB C=CCNS(=O)(=O)c1cccc(C(=O)Nc2ccc(C)c(F)c2)c1 8083175 JENFAANQNBHQPE-UHFFFAOYSA-N 348.399 2.851 30 40 EFEB C[C@@](CC(=O)Nc1ccc(OCC#N)cc1)(C(=O)O)c1ccccc1 8392442 NCCLBNXWHSSQEI-IBGZPJMESA-N 338.363 2.960 30 40 EFEB CCOC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2C#N)c1C(F)F 71905802 LOFHXVVAFOPOAZ-UHFFFAOYSA-N 336.254 2.766 30 40 EFEB N#Cc1cc(Cl)ccc1N1CCN(C(=O)c2cccnc2)CC1 69697507 PVYJSUUITCMPTN-UHFFFAOYSA-N 326.787 2.569 30 40 EFEB N#Cc1ccc(Cn2cc([C@H]3OCCN3c3ccccc3)nn2)cc1 216756062 MQVFGJRLNWBFCV-LJQANCHMSA-N 331.379 2.733 30 40 EFEB C=CCN1CC[C@@]2(CN(Cc3ccoc3)C[C@@H]2c2nccs2)C1=O 306132767 LRSGBZSQQHJPOP-QAPCUYQASA-N 343.452 2.740 30 40 EFEB O=[N+]([O-])c1ccc(N/N=C\c2ccc(N3CCOCC3)cc2)cc1 38203747 QVSDOJJQSXONRG-AQTBWJFISA-N 326.356 2.877 30 40 EFEB N#C[C@]1(C=O)[C@H](c2cccc(Cl)c2)[C@@H]1S(=O)(=O)c1ccccc1 225659344 JRXUQBLTUKNJPY-IKGGRYGDSA-N 345.807 2.989 30 40 EFEB O/C(=N\c1nc(-c2ccccn2)n[nH]1)C1=NO[C@H](c2ccccc2)C1 55280313 FEMKPFPTZPTAFB-AWEZNQCLSA-N 334.339 2.972 30 40 EFEB COc1cc(/C=C/C(=O)c2cccc(O)c(=O)c2)cc(OC)c1OC 17105188 OQBXGNMPIGQKBI-BQYQJAHWSA-N 342.347 2.674 30 40 EFEB C=CCOC[C@@H]1CN(Cc2ccc(F)c(F)c2)Cc2nccn2C1 2055708140 OYRHKSBLPDSMNA-OAHLLOKOSA-N 333.382 2.996 30 40 EFEB CN(Cc1cccc(C#N)c1)Cn1cnc(-c2cccc([N+](=O)[O-])c2)n1 54462055 DCNCOSLLVMRUKH-UHFFFAOYSA-N 348.366 2.814 30 40 EFEB Cc1nn(CCC#N)c(C)c1CCC(=O)N[C@@H](C)c1ccncc1 24049653 CGAHLLDUCSHJRF-ZDUSSCGKSA-N 325.416 2.619 30 40 EFEB CC1(C)CC(=O)C2=C(C1)O[C@@H]([N+](=O)[O-])[C@H]2c1cccc([N+](=O)[O-])c1 100929293 UQHRGGVWXVAUMF-DZGCQCFKSA-N 332.312 2.955 30 40 EFEB N#Cc1ccnc(N2CCN(c3ncccc3C(F)(F)F)CC2)c1 47510521 MWVIHJJFALPJFT-UHFFFAOYSA-N 333.317 2.694 30 40 EFEB CCCCCC(=O)N(O)[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1=O 5190032 ZAMVBYSBDZJLIX-ZDUSSCGKSA-N 338.791 2.770 30 40 EFEB C#CCN/C=C1\C(=O)N(c2ccc(OCC)cc2)C(=O)c2ccccc21 6913275 DMIVJXGRYXYOIV-RGEXLXHISA-N 346.386 2.836 30 40 EFEB COc1ccc(CC(=O)Oc2ccc(C#N)cc2)c(OC)c1OC 15578478 HFTMVTKBWMHPJN-UHFFFAOYSA-N 327.336 2.732 30 40 EFEB C=CCNc1nc(C(=O)OC[C@@H]2COc3ccccc3O2)cs1 7977448 NYUKTOWUAXELND-NSHDSACASA-N 332.381 2.738 30 40 EFEB Cc1cc(F)c(Br)cc1S(=O)(=O)N(C)[C@@H](C)CC#N 189947288 VSUFZMWBBSCRBQ-VIFPVBQESA-N 349.225 2.819 30 40 EFEB Cc1ccc([C@H](C)/C(O)=N/S(=O)(=O)C[C@H]2CCCCO2)cc1 78411466 PLANUNPLHSUTNI-DZGCQCFKSA-N 325.430 2.954 30 40 EFEB C[C@H](C/N=C(/N)N(C)C1CC1)Oc1ccccc1Br 195559344 DJYAZKBZJIZHPY-SNVBAGLBSA-N 326.238 2.625 30 40 EFEB COc1cccc(C/C(O)=N/Cc2cc(OC)c(O)c(OC)c2)n1 330032259 KEYOWORVIDWMKP-UHFFFAOYSA-N 332.356 2.512 30 40 EFEB COc1cc(C#N)ccc1CN1CCC[C@H]1c1ccc(N(C)C)nn1 591625579 SXEUNLUFBALWBF-KRWDZBQOSA-N 337.427 2.760 30 40 EFEB C=CCOC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(F)cc1 16138421 POIILRNSHMUSGF-KRWDZBQOSA-N 327.355 2.896 30 40 EFEB C[C@@H](OC(=O)c1ccc([N+](=O)[O-])cc1)C(=O)Nc1cccc(C#N)c1 5966543 HWLIUNDWWIYWFO-LLVKDONJSA-N 339.307 2.650 30 40 EFEB O=C1Nc2c(c(=O)oc3ccccc23)N/C1=C\C(=O)c1ccccc1 485826 YAGIYJACSPKKKT-RAXLEYEMSA-N 332.315 2.924 30 40 EFEB N#C[C@H](C(=O)c1ccc(Cn2cncn2)cc1)c1nc2ccccc2o1 41541647 LBBHNRQANMTQBP-OAHLLOKOSA-N 343.346 2.958 30 40 EFEB COc1ccccc1N(C[C@H]1CO1)S(=O)(=O)c1ccc(C)cc1 380657 RISDRHYQFDAKLF-AWEZNQCLSA-N 333.409 2.598 30 40 EFEB C=CCNC(=O)c1cccc(S(=O)(=O)N(C)c2ccc(C)cc2)c1 6430336 BMQHYOOAFWDSNW-UHFFFAOYSA-N 344.436 2.736 30 40 EFEB C=CCn1c(S[C@@H](C)C(=O)NC(=O)NCC)nc2ccccc21 6907866 UKEHKYSBCYQLDP-NSHDSACASA-N 332.429 2.549 30 40 EFEB O=C1Nc2cc(F)ccc2/C1=N/Nc1c(F)c(F)nc(F)c1F 7746139 YXFGOMPMZQMARM-UHFFFAOYSA-N 328.200 2.545 30 40 EFEB C#CCOc1ccccc1CN1CCCN(Cc2cscn2)CC1 93016240 SMWMTDBTGGKTMV-UHFFFAOYSA-N 341.480 2.863 30 40 EFEB N#Cc1ccc(-c2nnc(CNc3ccc(-n4cncn4)cc3)o2)cc1 95414820 ITQPCSRXEZQEGA-UHFFFAOYSA-N 343.350 2.801 30 40 EFEB COc1ccc(C#N)cc1CN1CCC[C@H]1CC(=O)c1cnn(C)c1 95977652 KHYQGTWETGKONA-KRWDZBQOSA-N 338.411 2.538 30 40 EFEB Cc1ccc(-n2nc(C(=O)N[C@@]3(C#N)CCSC3)cc2C)cc1 95991367 NGRNDPNNYFUGBD-QGZVFWFLSA-N 326.425 2.618 30 40 EFEB CC1CCN(C(=O)[C@@H](C)O/N=C(/N)Cc2ccccc2Cl)CC1 78695969 SKGYSTZWCCJIKK-CYBMUJFWSA-N 337.851 2.818 30 40 EFEB C#Cc1cccc(NC(=O)CN(C)c2ccc([N+](=O)[O-])c(C#N)c2)c1 195575561 RONVHUMQZKGUDY-UHFFFAOYSA-N 334.335 2.523 30 40 EFEB O=C1ON=C(c2ccccc2)/C1=C/c1ccc(N2CCOCC2)cc1 5899737 CYTOWQBCNJQGTA-JXAWBTAJSA-N 334.375 2.868 30 40 EFEB Cn1c(C2=C(N)N(c3ccc(Cl)cc3)CC2=O)nc2ccccc21 5214015 PERIASGXHCPAMU-UHFFFAOYSA-N 338.798 2.943 30 40 EFEB C=CCCC(=O)N1C[C@H]2CN(c3ccc(C(C)(C)C)nn3)C[C@@H]2C1 1888853140 ZFLGQEIEJIAJCC-HUUCEWRRSA-N 328.460 2.635 30 40 EFEB CC/C(NCc1ccccc1)=C1/C(=O)CC(C)(C)[C@@H](C(=O)OC)C1=O 100739496 YWRXBOALWGWFEC-FYPAKXHLSA-N 343.423 2.798 30 40 EFEB C=CCN1C(=O)NC(=O)/C(=C\c2cccc(Cl)c2Cl)C1=O 2121506 JDQHZWBXWOVJHM-VQHVLOKHSA-N 325.151 2.641 30 40 EFEB O=C(O/N=C1/CCCc2nonc21)c1ccc(Br)cc1 59488902 ZEASYKOWLZQYHP-GDNBJRDFSA-N 336.145 2.730 30 40 EFEB CN1C(=O)/C(=N\Nc2cccc3cccnc23)c2cc([N+](=O)[O-])ccc21 100503058 ONEWLNJAYDRMEV-FXBPSFAMSA-N 347.334 2.936 30 40 EFEB N#C[C@]1(NC(=O)c2ccc(F)c(COCC3CC3)c2)CCSC1 96430811 QGULTRAYSKNQCF-QGZVFWFLSA-N 334.416 2.881 30 40 EFEB CCn1c(CSc2ncc(C#N)c(N)n2)nc2cc(F)ccc21 66256366 FPHXWDAIJVRINZ-UHFFFAOYSA-N 328.376 2.731 30 40 EFEB CC(C)c1nc2n(n1)C[C@@H](NCc1cn3ccccc3c1C#N)CC2 71877615 JZLHRHUAECXQQO-HNNXBMFYSA-N 334.427 2.630 30 40 EFEB Cc1cc(F)cc(S(=O)(=O)/N=C(\O)CCc2cncc(F)c2)c1 96491254 OVUATENBCDUAAJ-UHFFFAOYSA-N 340.351 2.946 30 40 EFEB N#CCCCOc1cccnc1NC(=O)NC1[C@@H]2[C@H]3CC[C@@H](C3)[C@@H]12 248889251 YHVYSJZPQQAHBY-DDHJSBNISA-N 326.400 2.930 30 40 EFEB Cc1ccccc1C(=O)N1CCN(C(=O)c2ccccc2C)[C@H](C#N)C1 585127781 JGMBGTNZHYNNEY-QGZVFWFLSA-N 347.418 2.794 30 40 EFEB N#Cc1ccc(N2C[C@@H]3CCN(c4nc5cnccc5s4)[C@H]3C2)nc1 1889179487 OLJRPDDNOMJEDH-ZFWWWQNUSA-N 348.435 2.673 30 40 EFEB CN1CCCC[C@H]1C1CCN(C(=O)Cc2ccc(C#N)cc2)CC1 2055756345 FMBAPNFLNFJDAR-IBGZPJMESA-N 325.456 2.824 30 40 EFEB CSc1nn(-c2cc(Oc3ccccc3C)ncn2)c(N)c1C#N 385164 PDAUIUXDGPFWMI-UHFFFAOYSA-N 338.396 2.939 30 40 EFEB C#CCNC(=O)[C@H]1CCC(=O)N(CCCC)[C@H]1c1ccccc1OC 22690918 CYVIHPAUSCZBPZ-LPHOPBHVSA-N 342.439 2.524 30 40 EFEB C=CCSc1nc(=O)c2c(n1C)NC(=O)C[C@H]2c1cccc(C)c1 4944608 HXYYMOAUOQGRDJ-ZDUSSCGKSA-N 341.436 2.841 30 40 EFEB COc1cccc(OC/C(O)=N/S(=O)(=O)c2ccc(C)s2)c1 48529327 MVCSYUWFVKTMKH-UHFFFAOYSA-N 341.410 2.789 30 40 EFEB COC(=O)c1cc(C(=O)OCc2cccc(C#N)c2)cc([N+](=O)[O-])c1 5702299 LRWNUYPZUXWAPM-UHFFFAOYSA-N 340.291 2.610 30 40 EFEB C=CCn1c(=O)c2ccccc2n2c(SC[C@@H]3CCCO3)nnc12 6905022 TVUVVROQUPEQOY-LBPRGKRZSA-N 342.424 2.501 30 40 EFEB CCOc1ccc(/C=N/N2C(=O)[C@H]3[C@H](C2=O)[C@H]2C=C[C@H]3C23CC3)cc1 408727360 FBPFVSZLGFSKET-WUALUTDNSA-N 336.391 2.616 30 40 EFEB CC(C)(C)[S@](=O)CCNc1cc(C#N)c2cc([N+](=O)[O-])ccc2n1 76063140 NLJUAPKYQHHHSE-DEOSSOPVSA-N 346.412 2.974 30 40 EFEB N#CCCN(c1ccc(F)cc1)S(=O)(=O)c1ccc(C(=O)O)cc1 69708470 AUJSRXZPFFITTC-UHFFFAOYSA-N 348.355 2.633 30 40 EFEB Cc1ccc(-n2cnnc2S(=O)(=O)CCCC(C)(C)C#N)c(C)c1 83026169 JHVLFFXMERHPSE-UHFFFAOYSA-N 346.456 2.988 30 40 EFEB C=CCOc1ccccc1C(=O)N1CC[C@@H](n2cc(C3CC3)nn2)C1 585131429 VRGSPHWWECTIHR-OAHLLOKOSA-N 338.411 2.808 30 40 EFEB C[C@H]1CN(C(=O)CSc2ccc(C#N)c(C(F)(F)F)c2)CCO1 96501001 QNNPEJPWCVMETP-JTQLQIEISA-N 344.358 2.916 30 40 EFEB N#CC1(C#N)[C@H]2CCCC[C@@]23OC(=N)[C@]1(C#N)[C@@H](c1ccncc1)O3 13809972 CVUIEDKBCHRKOC-KJWYOANISA-N 333.351 2.590 30 40 EFEB C[C@H](c1cccc([N+](=O)[O-])c1)N(C)CC(=O)NC1(C#N)CCCC1 24862570 GRCXRWFNCMWOSR-CYBMUJFWSA-N 330.388 2.540 30 40 EFEB COc1ccccc1C/C(C)=C/C(=O)[C@@H](C#N)C(=O)NC1CCCC1 101243589 DATDJLLETAOESD-ABDJAZHISA-N 340.423 2.952 30 40 EFEB C#CCNC(=O)C1(c2ccccc2)CCN(C(=O)OC(C)(C)C)CC1 78737115 GPKJBZPDACOHDT-UHFFFAOYSA-N 342.439 2.705 30 40 EFEB C=CCOc1ccc(C(=O)N2CCC[C@@H]2[C@H]2CCCN2C)cc1OC 106661572 DHSAAURSJSQJBG-IAGOWNOFSA-N 344.455 2.959 30 40 EFEB C[C@H](C(=O)Nc1cccc(C#N)c1)N1CCN(c2ccccc2)CC1 57406071 FISVIPXSIIKSII-MRXNPFEDSA-N 334.423 2.707 30 40 EFEB CC(C)(C)c1nc(CN2CCN(Cc3ccc(C#N)cc3)CC2)no1 36394270 LKXJJOPBLGIVSJ-UHFFFAOYSA-N 339.443 2.557 30 40 EFEB Cc1nc(OCC(=O)N2CCCCC2)c(C#N)c2c1COC(C)(C)C2 13729829 ZMYOSXAEADAGLL-UHFFFAOYSA-N 343.427 2.504 30 40 EFEB C[C@H](Nc1ncnc2c1cnn2CCC#N)c1ccc2c(c1)OCO2 65520153 RGXSOJSCWNFZSB-NSHDSACASA-N 336.355 2.642 30 40 EFEB C/N=C(/N)NCc1ccccc1-c1ccc(CN2CCCC2=O)cc1 69737814 GZAKHHHCFDDZSQ-UHFFFAOYSA-N 336.439 2.510 30 40 EFEB CC(=O)c1cc[n+](CC(=O)N2CCC(Cc3ccccc3)CC2)cc1 8723512 GCAMHTBDHZELRB-UHFFFAOYSA-N 337.443 2.658 30 40 EFEB C=CCc1cc(CN2CCC(C(=O)OCC)CC2)c(O)c(OC)c1 89983616 SZCYKIXKJXYCRU-UHFFFAOYSA-N 333.428 2.904 30 40 EFEB Cc1cc(C)nc(N/N=C\c2ccc(OCC(=O)O)c(Cl)c2)n1 408814518 FXPBBDSYAFTMIZ-IDUWFGFVSA-N 334.763 2.656 30 40 EFEB CC/N=C(/NCCc1cnn(C)c1)NC[C@H](C)c1ccc(F)c(F)c1 96450231 LJLAVJSFOZWYPA-ZDUSSCGKSA-N 349.429 2.600 30 40 EFEB C=C(C)CN(CC)C(=O)c1ccc(Cl)c(NS(C)(=O)=O)c1 61381724 YMHWMDPLNBZAIH-UHFFFAOYSA-N 330.837 2.750 30 40 EFEB N#C[C@H]1C(=O)Nc2nn(-c3ccccc3)c(O)c2[C@@H]1c1cccs1 14163293 VECLYMWMCMMIDQ-YPMHNXCESA-N 336.376 2.863 30 40 EFEB C[C@H]1CN(CC(=O)Nc2sc3c(c2C#N)CCCCC3)C[C@H](C)O1 22228041 UXXNVQUHIGXDAU-STQMWFEESA-N 347.484 2.936 30 40 EFEB CC(=O)/C(=N\Nc1ccccc1)Sc1nnnn1-c1ccccc1 509404 YPUOQKVZPAYSGJ-OBGWFSINSA-N 338.396 2.769 30 40 EFEB COC(=O)COc1nc(-c2ccco2)c2c(c1C#N)CC(C)(C)OC2 12325159 KDIZTNAHADKSOE-UHFFFAOYSA-N 342.351 2.616 30 40 EFEB COc1ccc(/C(O)=N/S(=O)(=O)Cc2ccccc2)cc1OC 48594925 VXZSMBKKTXKGNI-UHFFFAOYSA-N 335.381 2.538 30 40 EFEB COc1ccc([C@@]2(C)NC(=O)N(/N=C/c3cccs3)C2=O)cc1 3579535 JRNUZMZHKNQVAC-FCNRDGCESA-N 329.381 2.558 30 40 EFEB COc1ccc(/C=N/NC(=S)Nc2ccccc2OC)cc1O 6299293 GGXNCTRPWSLECH-LICLKQGHSA-N 331.397 2.730 30 40 EFEB Cc1ccc(COc2ccc(/C=N/Nc3nc(=O)[nH]nc3C)cc2)cc1 4749832 JGNZLCZDHGPQQD-RGVLZGJSSA-N 349.394 2.807 30 40 EFEB C=C(C)C[C@@H]1N(c2ccc(C)cc2)C(=O)[C@@H]2[C@H](C(=O)O)[C@H]3C=C[C@@]12O3 4852400 LCWYHMXNOPUHCS-QOSLBHJFSA-N 339.391 2.701 30 40 EFEB COc1cc(=O)n(Cc2cc(C#N)ccc2OC)cc1Br 92334145 YIUYSTFQWCEHPM-UHFFFAOYSA-N 349.184 2.548 30 40 EFEB C=CCn1c(SCN2CCCCC2=O)nnc1-c1cccnc1 97080536 LKTBDRGOGSFZOM-UHFFFAOYSA-N 329.429 2.588 30 40 EFEB COc1cc(CC2CN(C(=O)c3ccc(C#N)cc3)C2)cc(OC)c1 72313811 UMUSYQBHROTXRX-UHFFFAOYSA-N 336.391 2.890 30 40 EFEB Cc1nnc(SCc2cc(=O)n3c(C)csc3n2)c(C#N)c1C 97237229 AGNQVPBUVLDUHF-UHFFFAOYSA-N 343.437 2.635 30 40 EFEB Cc1n[nH]c(C)c1[C@H]1COCCN1C(=O)Nc1cccc(C#N)c1 95980135 JRQCFNYTISWIHE-OAHLLOKOSA-N 325.372 2.504 30 40 EFEB C=CCN/C(=N\Cc1ccccc1)NCCc1nccn1C(F)F 84638129 XSEYIMBZAZMKGP-UHFFFAOYSA-N 333.386 2.742 30 40 EFEB C=CCNC(=O)c1ccccc1NC(=O)C(=O)NCCCCCCC 408709601 UWGCHJCCEBXUHR-UHFFFAOYSA-N 345.443 2.628 30 40 EFEB C[C@H]1CN(CCC(=O)Nc2sc3c(c2C#N)CCCC3)C[C@H](C)O1 25515394 PFAJWSHTJBNQRL-STQMWFEESA-N 347.484 2.936 30 40 EFEB CN1CCc2nc(N)c(C#N)c(-c3ccc(Br)cc3)c2C1 22001684 RFPWTVZEOHCUAH-UHFFFAOYSA-N 343.228 2.953 30 40 EFEB C=CCN(CC=C)C(=O)c1ccc(N2C(=O)c3cccnc3C2=O)cc1 408722511 VDKVLIYIMPYWJF-UHFFFAOYSA-N 347.374 2.696 30 40 EFEB Cc1ccc(C(=O)O/N=C(\N)Cn2nc(C(F)(F)F)cc2C)cc1 36612119 UFPGYONANBPZBU-UHFFFAOYSA-N 340.305 2.648 30 40 EFEB NC(=O)c1cnn2c1NC1=C(C(=O)CCC1)[C@H]2c1ccc(Cl)cc1 40268965 CAGHLTGYRUPYHN-OAHLLOKOSA-N 342.786 2.657 30 40 EFEB CCn1nc(C)cc1/C(O)=N/S(=O)(=O)Cc1ccccc1Cl 83791774 HFJTYLQXZOQZFG-UHFFFAOYSA-N 341.820 2.699 30 40 EFEB CN(Cc1ccc(C#N)cc1)C(=O)CN(C)c1ccccc1[N+](=O)[O-] 96430575 PZGUGALXYHBKKV-UHFFFAOYSA-N 338.367 2.561 30 40 EFEB C=CCO[C@H]1CCN(C(=O)c2ccncc2F)[C@H]1Cc1cccnc1 96200538 JDXTWQFREQEHKH-ROUUACIJSA-N 341.386 2.644 30 40 EFEB C=C(C)C[C@@H](NC(C)=O)C(=O)NCCc1ccc(OC(C)C)cc1 585100241 MMMDRBBBWWGJQV-GOSISDBHSA-N 332.444 2.603 30 40 EFEB CCO[C@@H]1CCC[C@@H]1S(=O)(=O)Oc1ccc(C#N)cc1Cl 1615586822 ZTDQDVLJLJZAET-KGLIPLIRSA-N 329.805 2.878 30 40 EFEB N#Cc1ccc(C(=O)N2CCC[C@@H](c3c[nH]c4ncccc34)C2)nc1 602195714 BTWQBSIKPUQXPE-CQSZACIVSA-N 331.379 2.849 30 40 EFEB N#Cc1ccccc1Cn1nc(-c2nccc3ccccc23)oc1=O 13565823 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225758369 ZNDXBEBSZXUGSZ-SFHVURJKSA-N 341.386 2.847 30 40 EFEB Cc1nc(SC/C(O)=N/Cc2nccn2-c2ccccc2)n[nH]1 330031763 CXMXWFUBQQCLAD-UHFFFAOYSA-N 328.401 2.548 30 40 EFEB CN(C)C(=O)COc1ccc(NCc2cc(C#N)ccc2F)c(F)c1 95407781 USAJBYIGXYWVCJ-UHFFFAOYSA-N 345.349 2.916 30 40 EFEB C[S@@](=O)CCNC(=O)Nc1ccccc1C#Cc1ccccc1 96446062 PGCLEHDXWZKHSJ-QHCPKHFHSA-N 326.421 2.586 30 40 EFEB COc1ccccc1[C@H](C#N)NC(=O)c1cc(Br)cn1C 79996278 CSMKXUITHQZHLZ-LBPRGKRZSA-N 348.200 2.791 30 40 EFEB C=C[C@H](O)C#CC#C[C@@H](O)/C=C/CCCCCCCCOC(C)=O 5857043 VVURZXYIXNNJCG-OZWJSFCXSA-N 332.440 2.751 30 40 EFEB endogenous,in-man C=CCNC(=O)[C@H]1C[C@H]2CC[C@]1(C)C[C@@]21NC(=O)c2ccccc2N1 12142480 ABGXFBMVSLDRIC-PRLQIQRYSA-N 339.439 2.667 30 40 EFEB CC1(C)CC(=O)C2=C(C1)Nc1nonc1N[C@@H]2c1cccc(O)c1 7010074 FNJKOLJIYKPGRY-CQSZACIVSA-N 326.356 2.997 30 40 EFEB CC(=O)CCc1ccc(OS(=O)(=O)c2ccc(C#N)cc2)cc1 21224466 KJDXZCMVGUOGFS-UHFFFAOYSA-N 329.377 2.848 30 40 EFEB C=CCn1c(N)c(C(=O)NCc2ccco2)c2nc3ccccc3nc21 506144 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334.725 2.721 30 40 EFEB CCNC(=O)[C@H]1CCCN(c2ccc(C(F)(F)F)c(C#N)c2)C1 95944303 UAPFOUZQVLFGFA-NSHDSACASA-N 325.334 2.930 30 40 EFEB C#Cc1cccc(NC(=O)C(=O)N(C)[C@H]2CC[C@@H](SCC)C2)c1 131664231 QWFDQSQLDBWHDP-JKSUJKDBSA-N 330.453 2.739 30 40 EFEB CC[C@H](CO)NC(=O)Cc1ccc(N[C@H]2CCC[C@H](C#N)C2)cc1 193098526 ZDRWHMMOQSZYHM-JZXOWHBKSA-N 329.444 2.610 30 40 EFEB C=CCN1CCC[C@]12CCCN(S(=O)(=O)c1cccc(C)c1)C2 96214809 JNZNABUTOWVPJH-GOSISDBHSA-N 334.485 2.800 30 40 EFEB N#Cc1cccc(OCCCCC(=O)NCc2ccc(O)cc2O)c1 585087944 CPBYSSNYYJKZCG-UHFFFAOYSA-N 340.379 2.835 30 40 EFEB C#CCCC1(CCC(=O)N[C@H](C(=O)O)c2ccc(F)c(C)c2)N=N1 1616032010 QJZCWIOBSFCVBI-HNNXBMFYSA-N 331.347 2.732 30 40 EFEB Cc1ccc(NC(=O)CSCC(=O)Nc2ccc(C#N)cn2)cc1 75127846 PTOCRWNNAACSNN-UHFFFAOYSA-N 340.408 2.572 30 40 EFEB CCC/C(=N\NS(=O)(=O)Cc1ccccc1)c1ccc(O)cc1O 16611440 OLHCFWHXNRMXLW-FBMGVBCBSA-N 348.424 2.722 30 40 EFEB N#Cc1ccnc(O[C@H]2CCCN(C(=O)c3ccc(F)c(F)c3)C2)c1 575611610 DQWNXSUPTZHAMQ-AWEZNQCLSA-N 343.333 2.915 30 40 EFEB CC(C)N1C(=O)/C(=N\NC(=S)NC2CCCCC2)c2ccccc21 105503627 UJBLHDGLENLLFP-SILNSSARSA-N 344.484 2.943 30 40 EFEB N#Cc1cn(CCOC[C@H]2CCCO2)c2ccc(Cl)cc2c1=O 78931868 JPGUZTNYVXHFSA-CQSZACIVSA-N 332.787 2.722 30 40 EFEB O=C(NCC(F)(F)C(F)(F)C(F)(F)C(F)F)c1cccnc1 1908548 JXOMIIAMGZCDIJ-UHFFFAOYSA-N 336.182 2.982 30 40 EFEB C=CCO[C@H](C)/C(O)=N/c1nc2ccc(Br)cn2n1 84098612 AWEDRBJIAULUFI-MRVPVSSYSA-N 325.166 2.671 30 40 EFEB C#CC[C@H](NC(=O)c1cccc(CS(C)(=O)=O)c1)c1ccccc1 89484377 LIVJQFHQYUGVMQ-SFHVURJKSA-N 341.432 2.726 30 40 EFEB O=[N+]([O-])[C@H]1C[C@@H]1/C(O)=N/S(=O)(=O)c1ccc(-c2ccccc2)cc1 78989180 HRPJCARKKAZIOU-GJZGRUSLSA-N 346.364 2.664 30 40 EFEB N#Cc1cnn(C(=O)c2cccc(OCc3ccc(F)cc3)c2)c1N 64447214 INRBOHBJXUZHLD-UHFFFAOYSA-N 336.326 2.744 30 40 EFEB C#CC1(O)CCN(Cc2csc(COc3ccc(C)cc3)n2)CC1 585135851 FZMLGSANTMPNNC-UHFFFAOYSA-N 342.464 2.991 30 40 EFEB Cc1nn(C(C)C)c(C)c1S(=O)(=O)Nc1cc(C#N)ccc1F 585128467 BWADQKBMZULABO-UHFFFAOYSA-N 336.392 2.892 30 40 EFEB N#Cc1ccncc1N1CCN(c2ccc(C(F)(F)F)cn2)CC1 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2.696 30 40 EFEB CC[C@@H]1CC[C@@H](C)N1C(=O)CCc1c(C)nc2c(C#N)cnn2c1C 95459205 AOBFEPPFODMEAW-MLGOLLRUSA-N 339.443 2.940 30 40 EFEB Cc1cc(NC(=O)CCC(=O)N(CCC#N)c2ccccc2)no1 66618900 XWJUCFMLESXIFF-UHFFFAOYSA-N 326.356 2.649 30 40 EFEB Cc1ccc(C)c(S(=O)(=O)/N=C(\O)[C@H](C)OC[C@H]2CCCO2)c1 69282666 KKKNGEAYFAXKGE-UONOGXRCSA-N 341.429 2.533 30 40 EFEB COc1ccc(N2CCC(NC(=O)c3ccc(C#N)cc3)CC2)cc1 71924429 GHJRJROUGOXURH-UHFFFAOYSA-N 335.407 2.966 30 40 EFEB CN(CC(=O)Nc1sc2c(c1C#N)CCCCC2)Cc1cc[nH]n1 69743462 ANZYCPYGTYCIRH-UHFFFAOYSA-N 343.456 2.682 30 40 EFEB C=CCN(C(=O)c1cccc2ccccc12)[C@H]1CCS(=O)(=O)C1 69737748 WIEJUKCMNKEECN-HNNXBMFYSA-N 329.421 2.655 30 40 EFEB Cc1csc([C@@H](NC(=O)COc2ccccc2C#N)C2CC2)n1 72296765 UXPCKZNSBQDPLW-INIZCTEOSA-N 327.409 2.970 30 40 EFEB N#CCN(Cc1ccccc1)C(=O)c1ccc(-c2ccco2)[nH]c1=O 75125049 RPUCPEYQAFNTKE-UHFFFAOYSA-N 333.347 2.801 30 40 EFEB C=CCOC(=O)c1cc(-n2cnnc2)ccc1N1CCCC[C@H]1C 226278628 FCETVXZHGVBVRZ-CQSZACIVSA-N 326.400 2.989 30 40 EFEB C=CCN1C(=O)CCC[C@@]12CCCN(C(=O)c1cccc(OC)c1)C2 96229919 RGQNPEUGWVBHML-FQEVSTJZSA-N 342.439 2.869 30 40 EFEB COc1cc(F)c(NS(=O)(=O)c2cc(C#N)ccc2C)cc1F 96466602 HKNJBRPUXPOVIH-UHFFFAOYSA-N 338.335 2.954 30 40 EFEB CC(=O)N1CCc2ccccc2[C@H]1CNC1=CC(=O)CC(C)(C)C1 105784 GJFYKZFZXRMMLN-LJQANCHMSA-N 326.440 2.995 30 40 EFEB N#CC1(C(=O)NCCC(=O)N2CCc3sccc3C2)CCCCC1 52021801 XFTKRIWRKQSJDR-UHFFFAOYSA-N 345.468 2.613 30 40 EFEB N#CC1(NC(=O)CN2CCC(N3CCCCC3)CC2)CCCCCC1 52003500 WGLZDXNOGUYBHN-UHFFFAOYSA-N 346.519 2.669 30 40 EFEB Cc1[nH]n(-c2ccc([N+](=O)[O-])cc2)c(=O)c1/C=N/Cc1ccco1 101974167 SECGKKBOWONZCM-LICLKQGHSA-N 326.312 2.594 30 40 EFEB COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C#N)C(=O)c1cc(C)no1 103504285 KWUMNFHIKYHWAI-JTQLQIEISA-N 347.758 2.915 30 40 EFEB C#CCNC(=O)c1ccccc1SCc1occc1C(=O)OC 55011761 CBYFDFXNAFODQT-UHFFFAOYSA-N 329.377 2.722 30 40 EFEB CC(=O)N[C@H](C/C(O)=N/c1nc(C(F)(F)F)n[nH]1)c1cccs1 43751413 CNJVCXVKXGNXAI-SSDOTTSWSA-N 347.322 2.741 30 40 EFEB 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C[C@H](O/N=C(/N)c1cccs1)C(=O)Nc1ccc(F)c(F)c1F 67768989 TYXRUAZUSLSACF-ZETCQYMHSA-N 343.330 2.830 30 40 EFEB COc1cc(/C=C/c2nc(C#N)c(N(C)C)o2)cc(OC)c1OC 8374352 RCNQOWIGFMDBJU-VOTSOKGWSA-N 329.356 2.808 30 40 EFEB Cn1c([C@H]2CCCN(C(=O)c3cccc(CC#N)c3)C2)n[nH]c1=S 69581206 SREVBERGKMSXBE-AWEZNQCLSA-N 341.440 2.564 30 40 EFEB C[C@@H](OCC1CC1)C(=O)OC1CCN(Cc2ccccc2C#N)CC1 69665323 RLVZRITWSDXGQR-OAHLLOKOSA-N 342.439 2.881 30 40 EFEB CC(=O)N[C@H](CC(=O)N(CC#N)c1cccc(F)c1)c1ccccc1 69736978 KVFZLPMZLHGVFJ-GOSISDBHSA-N 339.370 2.950 30 40 EFEB CSC1(CN/C(=N\C2CC2)NCc2cccs2)CCOCC1 73235305 GSEIJVSNGOYRJQ-UHFFFAOYSA-N 339.530 2.858 30 40 EFEB C=CCOc1ccc(NC(=O)C2(C)COC(c3ccco3)OC2)cn1 225917283 LFDSSYCQMSBWAT-UHFFFAOYSA-N 344.367 2.930 30 40 EFEB CCOC[C@@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2C#N)C1 96428014 MUESUFUHZQGCMK-GFCCVEGCSA-N 342.848 2.649 30 40 EFEB CSCC[C@@H](C)NS(=O)(=O)Cc1ccc(Cl)cc1C#N 96004693 RNBVBHBBLFAGPA-SNVBAGLBSA-N 332.878 2.773 30 40 EFEB Cc1ccc(S(=O)(=O)/N=C(\O)Nc2ccc(CC#N)cc2)cc1 148578 MWKMFXIVBOWDOV-UHFFFAOYSA-N 329.381 2.776 30 40 EFEB N#C[C@@H](C(=O)Nc1cccc(Cl)c1)C(=O)c1ccn2cncc2c1 101966165 JIARFEISUHRYHO-OAHLLOKOSA-N 338.754 2.949 30 40 EFEB C[C@H]1CN(C(=O)C2CCN(c3cccc(F)c3C#N)CC2)C[C@@H](C)O1 42103129 BVYFAFLIKJTUJT-OKILXGFUSA-N 345.418 2.550 30 40 EFEB C[C@@](C#N)(NC(=O)CNc1ccc(C#N)c(C(F)(F)F)c1)C1CC1 78903895 URIGTQZSJVRYMM-HNNXBMFYSA-N 336.317 2.797 30 40 EFEB CCN(Cc1nc2ccccc2c(=O)[nH]1)Cc1cc(F)ccc1C#N 95413120 WHQBIPBZVQJAFB-UHFFFAOYSA-N 336.370 2.956 30 40 EFEB CCc1ccc(C(=O)N(CC#N)c2ccccc2)cc1S(C)(=O)=O 95452073 RZRMELIWKSTMRO-UHFFFAOYSA-N 342.420 2.823 30 40 EFEB N#CCN(CC#N)C(=O)c1ccn(-c2ccc(Cl)c(Cl)c2)n1 69743384 AQTXHWXIXQQVFE-UHFFFAOYSA-N 334.166 2.668 30 40 EFEB N#Cc1ccc(Cn2cc([C@H]3OCCN3Cc3ccccc3)nn2)cc1 216772959 VMPMUKNKOWZMDM-HXUWFJFHSA-N 345.406 2.729 30 40 EFEB C/N=C(/NCc1ncc(C)s1)NC1CCN(c2ccccc2)CC1 86717599 NAQGISGQGXUBEG-UHFFFAOYSA-N 343.500 2.786 30 40 EFEB CCN1CCC2(CC1)C[C@@H](NC(=O)C1(C#N)CC1)c1ccccc1O2 96093974 YXXCMXZFAQNYRN-MRXNPFEDSA-N 339.439 2.785 30 40 EFEB Cc1cc(C(=O)N2CCC(Oc3ncccc3C#N)CC2)c(C)o1 96119278 HWURLXXIGLMKRI-UHFFFAOYSA-N 325.368 2.847 30 40 EFEB C/N=C(/NCc1nccs1)N1CCO[C@@H](c2ccccc2C)C1 161725185 YACHFOZLGPNTAL-OAHLLOKOSA-N 330.457 2.600 30 40 EFEB O=c1[nH]nc(-c2ccccc2)n1/N=C/c1c(O)ccc2ccccc12 1650830 DURPQMOKNMDKQS-UDWIEESQSA-N 330.347 2.979 30 40 EFEB Cc1ccnc(OC[C@@]23CCC[C@@H]2CN(c2ncccc2C#N)C3)n1 1888864059 FJFUMHQYMZDBQE-APWZRJJASA-N 335.411 2.737 30 40 EFEB COc1cc(C(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)ccc1C 22239967 XYSGXPPWXMYPNJ-UHFFFAOYSA-N 349.434 2.833 30 40 EFEB COC(=O)[C@@H](c1cc(F)ccc1F)N(C)C(=O)c1cccc(C#N)c1 78732688 FLXJYOLLMVTCON-MRXNPFEDSA-N 344.317 2.823 30 40 EFEB Cc1cc([C@H]2CCCN(C(=O)[C@@H](C)Oc3ccccc3C#N)C2)n[nH]1 78901880 OSFBKAMXLMQTML-ZBFHGGJFSA-N 338.411 2.763 30 40 EFEB C=CCO[C@@H]1[C@H]2CC[C@H]1N(C(=O)c1cn(C)c3ccccc13)CCO2 106797850 MDMFDDHKFRMXBL-QRVBRYPASA-N 340.423 2.753 30 40 EFEB COc1ccc([C@H](CNc2oc(C)nc2C#N)N(C)C)cc1OC 27992977 ROBVVCMQRUIACR-AWEZNQCLSA-N 330.388 2.587 30 40 EFEB COC(=O)[C@@H](NCc1ncc(-c2ccc(C#N)cc2)o1)C(C)(C)C 97014740 KRXRWAVIBRWCKT-MRXNPFEDSA-N 327.384 2.891 30 40 EFEB COC(=O)c1ccc(/C=C/C(=O)c2cc(OC)c(OC)c(OC)c2)o1 58100667 FCXNYDWPVTUETB-FNORWQNLSA-N 346.335 2.988 30 40 EFEB COC(=O)c1sc(NC(=O)c2ccccc2OC)c(C#N)c1C 4537756 NHHDOJJZXCXQII-UHFFFAOYSA-N 330.365 2.976 30 40 EFEB CCCCNC(=O)[C@H](C#N)c1nc2ccccc2nc1OC(C)C 5451831 VUWLTNATUVERCU-CYBMUJFWSA-N 326.400 2.940 30 40 EFEB COc1ccc([N+](=O)[O-])cc1NCC(=O)Nc1cccc(C#N)c1 5701621 DYSOYKDQJVKIQD-UHFFFAOYSA-N 326.312 2.526 30 40 EFEB Cc1ccc(S(=O)(=O)OCC(F)(F)C(F)F)c([N+](=O)[O-])c1 69509558 WEAJQNOIGSHIEZ-UHFFFAOYSA-N 331.243 2.509 30 40 EFEB N#Cc1nc(NC(=O)c2csc(CCc3ccccc3)n2)[nH]c1C#N 69704707 FCHDBMNEVQRXSP-UHFFFAOYSA-N 348.391 2.647 30 40 EFEB C[C@@H](Oc1ccc(C#N)cc1)C(=O)N(C)Cc1ccc2c(c1)OCO2 18155909 MHBVCNCLUUOOOO-CYBMUJFWSA-N 338.363 2.713 30 40 EFEB CS(=O)(=O)Cc1ccc(NC(=O)Nc2ccc(C#N)cc2)cc1F 83984727 IIONHHZGXJDWMC-UHFFFAOYSA-N 347.371 2.886 30 40 EFEB O=C1C(=C2CCSCC2)Oc2c1ccc(O)c2CN1CCOCC1 526052436 DZGRKQHUWWVNPC-UHFFFAOYSA-N 347.436 2.581 30 40 EFEB N#CC1(C#N)[C@@H](S(=O)(=O)c2ccccc2)[C@@H]1c1cccc(F)c1 218369698 OBEVHQPPACZKQZ-HOTGVXAUSA-N 326.352 2.799 30 40 EFEB N#Cc1cccc(CN2CCC3(CC2)NC(=O)C[C@@H]3c2ccncc2)c1 96199914 GZWFPQIILBOCGX-LJQANCHMSA-N 346.434 2.592 30 40 EFEB N#Cc1ccc(NC(=O)CCn2ccccc2=O)cc1C(F)(F)F 96443151 OXUYLNCYJZRNFA-UHFFFAOYSA-N 335.285 2.768 30 40 EFEB COC[C@]1(C#N)[C@H](c2cccc(F)c2)[C@H]1S(=O)(=O)c1ccccc1 242688299 VNCPVQVZXVUTOD-KZNAEPCWSA-N 345.395 2.922 30 40 EFEB Cc1nccc([C@H]2CCCN(c3nc4ncccc4cc3C#N)C2)n1 585098239 NDFYXGVPLVZTEF-HNNXBMFYSA-N 330.395 2.984 30 40 EFEB C=CCN1CCN([C@H](CCC)c2nnnn2C2CCCCC2)CC1 19501876 BUMKFGUANHPKIA-QGZVFWFLSA-N 332.496 2.823 30 40 EFEB N#Cc1cc(N2CC[C@@H](Oc3ccncc3Br)C2)ccn1 1888843016 DWVWPVWRZGLSFC-CYBMUJFWSA-N 345.200 2.768 30 40 EFEB C=C[C@H]1CN2CC[C@H]1C[C@@H]2CNC(=S)NCc1ccc(OC)cc1 2332241383 BDNNIBRFFVSLGV-YESZJQIVSA-N 345.512 2.556 30 40 EFEB COCc1cc(C)nc(SCC(=O)c2ccc(O)c(O)c2)c1C#N 85612 MSOUCVXDWWIFTI-UHFFFAOYSA-N 344.392 2.794 30 40 EFEB COc1cccc(C(=O)[C@H](C#N)C(=O)Nc2ccc(F)cc2)c1OC 103501864 DKYWIDPFQOXNDG-AWEZNQCLSA-N 342.326 2.804 30 40 EFEB COC(=O)c1ccc(NC(=S)N/N=C(\C)c2ccc(O)cc2)cc1 6780519 GOLAZCANMBEAEP-YBFXNURJSA-N 343.408 2.889 30 40 EFEB C=CCOc1c(Cl)cc(CNc2nnnn2CC=C)cc1OC 7602244 FIWUMWVAEOAHRA-UHFFFAOYSA-N 335.795 2.698 30 40 EFEB CNC(=O)COc1ccc(/C=C/C(=O)c2ccccc2)cc1OC 44012665 ZBEPWJQZWXJZPD-CSKARUKUSA-N 325.364 2.716 30 40 EFEB CC(=O)N1CCN(c2c(F)c(F)c(C(F)(F)F)c(F)c2F)CC1 3021373 JPJQBNMFUGXGFC-UHFFFAOYSA-N 344.230 2.930 30 40 EFEB COc1ccc(-c2n[nH]c(Sc3ccc(C#N)cn3)n2)c(OC)c1 58178276 CRHCGLOJZGWMDG-UHFFFAOYSA-N 339.380 2.907 30 40 EFEB CC(C)Oc1nnc(SCC(=O)Nc2sccc2C#N)s1 58294488 PCDXOZZYZFWKQQ-UHFFFAOYSA-N 340.455 2.989 30 40 EFEB COCc1cc(C)nc(N/N=C/c2ccc(O)c(OC)c2)c1C#N 113353593 TZDHOCQPPMAKJN-DJKKODMXSA-N 326.356 2.568 30 40 EFEB Cc1ccccc1COc1ccc(/C=N/Nc2nc(=O)[nH]nc2C)cc1 4422724 CCSCMEWAKIRENF-RGVLZGJSSA-N 349.394 2.807 30 40 EFEB O=C(/N=C1/NCCS1)[C@@H]1C[C@H]1c1ccccc1Br 65522771 MDDRYIUGKFEPKV-VHSXEESVSA-N 325.231 2.772 30 40 EFEB CCc1ccc([C@@H]2[C@H](S(=O)(=O)c3ccccc3)[C@]2(C#N)CO)cc1 218376308 SQRPMXADNHPHRZ-CEXWTWQISA-N 341.432 2.691 30 40 EFEB O=C1[C@@H]2[C@@H]3C=C[C@H]([C@@H]4C[C@H]34)[C@H]2C(=O)N1/N=C/c1ccccc1Cl 222251659 UZVXTCIYZHORKC-QJXGWTRESA-N 326.783 2.727 30 40 EFEB Cc1nc2c([nH]1)CC[C@H](C(=O)N1CCC(C#N)(c3ccccc3)CC1)C2 225521398 QRFFXPKQLNOAFH-INIZCTEOSA-N 348.450 2.907 30 40 EFEB C=CCN(Cc1ccc(-n2cccn2)cc1)S(=O)(=O)C(C)(C)C 90991043 DYQSKOGLRGDENP-UHFFFAOYSA-N 333.457 2.989 30 40 EFEB CC[C@H](C#N)NC(=O)c1cc(C)n(-c2ccc3c(c2)OCCO3)c1C 60342090 OZDLBLJFYGRHDX-CQSZACIVSA-N 339.395 2.897 30 40 EFEB CN/C(=N/Cc1nn(-c2ccccc2)c2c1CCC2)NCc1ccco1 95947708 CLLREBUGKRYGOZ-UHFFFAOYSA-N 349.438 2.819 30 40 EFEB N/C(=N\N=C\c1c2ccccc2cc2ccccc12)c1nonc1N 5948988 VMQMQKDQQOJKKH-UFFVCSGVSA-N 330.351 2.698 30 40 EFEB CC(C)C#C[C@](O)(C(=O)O[C@@H]1C2CCN(CC2)[C@H]1C)C1CCCCC1 5954666 QAPPZPYLSRRINH-NBHGPNQESA-N 347.499 2.983 30 40 EFEB O=C1C(Br)=CC(Br)=C/C1=N\Br 16245301 IBWZPGGXTGSWNY-BJMVGYQFSA-N 343.800 2.878 30 40 EFEB N#Cc1ccc(CN2CC(Cn3cc(Br)cn3)C2)c(F)c1 1889119554 BCTNMGOELBVDMF-UHFFFAOYSA-N 349.207 2.788 30 40 EFEB N#Cc1ccc(N2C[C@@H]3CCN(c4ncnc5ccsc45)[C@@H]3C2)nc1 1889148894 SIIYHXSMNXHEHK-DZGCQCFKSA-N 348.435 2.673 30 40 EFEB N#Cc1cccc(NS(=O)(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)c1 78938523 GBFPOPAWHOPONN-UHFFFAOYSA-N 342.336 2.749 30 40 EFEB C#CCN(Cc1ccc(C)cc1)C(=O)c1sccc1S(C)(=O)=O 71884233 RPWKMALRHJOISE-UHFFFAOYSA-N 347.461 2.736 30 40 EFEB Cc1nc(CSCC(=O)Nc2cc(C#N)cn2C(C)(C)C)no1 71887965 KBEWKSGTKYTBOR-UHFFFAOYSA-N 333.417 2.678 30 40 EFEB O=C(O)COc1ccc(C(=O)/C=C/c2ccccc2[N+](=O)[O-])cc1 8133251 IVGCSUFXDQRUQM-JXMROGBWSA-N 327.292 2.954 30 40 EFEB O=C1[C@H]2[C@H]3C=C[C@H]([C@H]2C(=O)N1/N=C/c1cccc(Cl)c1)[C@@H]1C[C@@H]31 409084380 VGPOULNINBBTGE-SVABIKKMSA-N 326.783 2.727 30 40 EFEB COc1cc(OC)c2c(c1Cl)O[C@]1(C2=O)C(O)=CC(=O)C[C@H]1C 3978450 KUTVEHNZHKAAAO-QZTNRIJFSA-N 338.743 2.722 30 40 EFEB biogenic,in-vitro CCc1ccc([C@H]2[C@@H](S(=O)(=O)c3ccc(C)cc3)[C@@]2(N)C#N)cc1 218458119 WJAUWXCKIULOMZ-IPMKNSEASA-N 340.448 2.718 30 40 EFEB C[C@H](C(=O)NC1(C#N)CCCCC1)N1CCC2(CCOCC2)[C@H]1C 375242874 RJSHBEOWVAFLGM-HZPDHXFCSA-N 333.476 2.609 30 40 EFEB Cc1[nH]nc2ccc(C(=O)N3CCN(c4ccccc4C#N)CC3)cc12 585101677 RYUPDHACLQQKLY-UHFFFAOYSA-N 345.406 2.705 30 40 EFEB C[C@]12CCC(=O)C=C1CC[C@H]1[C@H]2CC[C@]2(C)[C@@H]1CC[C@@]2(O)C(=O)CO 253616884 WHBHBVVOGNECLV-VLWQACTDSA-N 346.467 2.811 30 40 EFEB investigational Cc1cccc2c(=O)[nH]c(CS/C(N)=N/Cc3ccccc3)nc12 15456990 IBFRKWHMNPGAGO-UHFFFAOYSA-N 338.436 2.980 30 40 EFEB COc1ccc(Cl)cc1[C@H](CC(C)C)NS(=O)(=O)CC#N 95439710 BAICJSBGKJTVNX-ZDUSSCGKSA-N 330.837 2.879 30 40 EFEB CC1(C)CC(=O)C2=C(C1)Nc1nnnn1[C@@H]2c1cccc(Cl)c1 12348996 JXJHBJDGNKEEEK-CQSZACIVSA-N 329.791 2.985 30 40 EFEB CCN(CC)S(=O)(=O)c1ccc(N/N=C/[C@@H]2CC=CCC2)nc1 8165022 OUFDNAXDXOLNFM-CRRKTRLDSA-N 336.461 2.866 30 40 EFEB CC(=N\O)/C(=N/NS(=O)(=O)c1ccc(C)cc1)c1ccccc1 5545462 LDQISFIIVWOUFV-GLQARNANSA-N 331.397 2.528 30 40 EFEB CC(=O)c1c(C)[nH]c(C(=O)OCC(=O)Nc2ccc(C#N)cc2)c1C 3480153 IIZWEIGXNLGMHG-UHFFFAOYSA-N 339.351 2.501 30 40 EFEB COc1ccc(/N=C2\NN=C(c3ccc(O)c(O)c3)CS2)cc1 25436258 IBZULMAHLOIDFD-UHFFFAOYSA-N 329.381 2.835 30 40 EFEB O=C(N1CCCC1)C(F)(F)[C@]1(F)OC(F)(F)C(F)(F)C1(F)F 108577091 IXEMMGRDKXHJCZ-VIFPVBQESA-N 345.161 2.804 30 40 EFEB N#Cc1nc(C2CC2)oc1N1CCN(Cc2cccnc2Cl)CC1 58178057 CQTVKRRYBBKMEV-UHFFFAOYSA-N 343.818 2.794 30 40 EFEB C[C@](C#N)(NC(=O)COc1nc(-c2ccccc2Cl)no1)C1CC1 58369291 FEQNKKIQNGELJH-MRXNPFEDSA-N 346.774 2.577 30 40 EFEB C[C@@H](C#N)Sc1nnc(COc2c(Cl)cccc2Cl)n1N 10918729 RLAQOXWLJPTQBZ-ZETCQYMHSA-N 344.227 2.882 30 40 EFEB C=CCO[C@@H](C)C(=O)Nc1cc(C(=O)OCC)ccc1-n1ccnc1 69128192 NFRIBRBUAVIHSE-ZDUSSCGKSA-N 343.383 2.579 30 40 EFEB N#Cc1nc(NCCNC(=O)c2c(F)cccc2F)ccc1Cl 79035006 LFQBKANHZRYDPP-UHFFFAOYSA-N 336.729 2.727 30 40 EFEB CC1CCN(C(=O)[C@H](C)O/N=C(/N)Cc2ccccc2Cl)CC1 78695973 SKGYSTZWCCJIKK-ZDUSSCGKSA-N 337.851 2.818 30 40 EFEB Cc1cc(C(=O)N2CC[C@@H](N(C)c3cccc(C#N)c3)C2)ns1 585130166 JTLKSHHDPDOIQO-OAHLLOKOSA-N 326.425 2.674 30 40 EFEB C=CCCC(=O)N1CCC(Cn2cnc3ccccc3c2=O)CC1 1776001672 FXLMQGSAUXMTEX-UHFFFAOYSA-N 325.412 2.601 30 40 EFEB N#Cc1cccnc1N1CC[C@@H](Oc2ccncc2Br)C1 1776008965 TXYHZZFEMQPBRW-GFCCVEGCSA-N 345.200 2.768 30 40 EFEB COc1ccc(C(=O)C2=C(O)C(=O)N[C@H]2c2ccc(OC)cc2)cc1 5687030 WEUFUFRPELSURB-INIZCTEOSA-N 339.347 2.570 30 40 EFEB COC(=O)[C@H]1CCCN1CC(=O)/C=C1/N(C)c2ccccc2C1(C)C 101132080 VMVYZMQZQHTHPL-YPOUMIDOSA-N 342.439 2.504 30 40 EFEB C[C@@H](Oc1ccccc1C#N)C(=O)N[C@H](CC(=O)O)c1ccccc1 78336391 JVDVXDXFISUXSB-CZUORRHYSA-N 338.363 2.658 30 40 EFEB N#CCOc1ccc(CNC(=O)NCc2cc(C#N)ccc2F)cc1 78941148 LFHNFAKKWBVTKR-UHFFFAOYSA-N 338.342 2.599 30 40 EFEB COc1cc(C#N)ccc1O[C@H](C)C(=O)Nc1ccnn1C(C)C 25058504 ISFNOPJLXUPINJ-GFCCVEGCSA-N 328.372 2.750 30 40 EFEB Cc1nn(C)c(C)c1[C@H]1CCCN1C(=O)COc1ccc(C#N)cc1 75129963 KQTZBEFLGIRICU-QGZVFWFLSA-N 338.411 2.651 30 40 EFEB CC1(C)CC(=O)C2=C(C1)O[C@H]([N+](=O)[O-])[C@@H]2c1ccc([N+](=O)[O-])cc1 100929284 UFKIGFOZDRJOGW-HIFRSBDPSA-N 332.312 2.955 30 40 EFEB CC(C)Cc1nc(CN2CCN(c3ccc(C#N)cc3F)CC2)no1 58342654 FBBAUZJKDBWPOO-UHFFFAOYSA-N 343.406 2.601 30 40 EFEB CC12C3[C@@H]4C5/C(=N/Nc6ccc([N+](=O)[O-])cc6[N+](=O)[O-])C([C@H]41)[C@@H]2[C@H]53 104280729 XMICSROKPRPLRR-WEBGXBNQSA-N 326.312 2.659 30 40 EFEB Cc1ccc(OCCNC(=O)c2ccc(NC(=O)CC#N)cc2)cc1 3438758 GZEJYQBSYSPJQL-UHFFFAOYSA-N 337.379 2.656 30 40 EFEB C=C(Br)CNC(=O)c1ccccc1S(=O)(=O)C(C)C 49280630 UEEPIMASNKIFLE-UHFFFAOYSA-N 346.246 2.507 30 40 EFEB N#Cc1ccc(CNC[C@H](c2cccc(F)c2)N2CCOCC2)cc1 71834581 LKDFJAPTUBMIQJ-HXUWFJFHSA-N 339.414 2.860 30 40 EFEB N#CC1(C(=O)NCCc2csc(N3CCCC3)n2)CCCCC1 71908429 BJXGDAYGKSIBAV-UHFFFAOYSA-N 332.473 2.876 30 40 EFEB C=CCNC(=O)c1nc(C(=O)N2CCc3sccc3[C@@H]2C)cs1 69349092 WEQZCTPMLCRSSQ-JTQLQIEISA-N 347.465 2.880 30 40 EFEB N#Cc1cc(C(=O)N[C@H]2CCN(c3ccc(C(F)(F)F)cc3)C2)c[nH]1 97037691 GEEWTIUOEKSFRP-ZDUSSCGKSA-N 348.328 2.914 30 40 EFEB Cc1cc(C)nc([C@@H](C#N)C(=O)c2ccnc(OCC(F)F)c2)n1 95443080 WQMODIVRIQSHRS-LBPRGKRZSA-N 332.310 2.622 30 40 EFEB N#Cc1ccc(/N=C/c2ccc(OCC(=O)N3CCOCC3)cc2)cc1 409230109 BOWKAGMXKMRPBK-HYARGMPZSA-N 349.390 2.546 30 40 EFEB C=C(C)Cn1c(Cc2csc(C)n2)nnc1N1CCOC(C)(C)C1 1507833082 VPNLMTHAWDCMFK-UHFFFAOYSA-N 347.488 2.825 30 40 EFEB Cc1cccc(N2C(=O)NC(=O)[C@@H](C=Nc3ccccc3F)C2=O)c1 408528944 XYQXPQSIGWWQMY-CYBMUJFWSA-N 339.326 2.736 30 40 EFEB Cc1cc(C)nc(N/N=C\c2ccc(I)o2)n1 38203613 SNNWMJLMBBYMNF-MLPAPPSSSA-N 342.140 2.737 30 40 EFEB CC(=O)[C@]1(O)CC[C@@H]2[C@H]3C[C@H](O)C4=CC(=O)CC[C@]4(C)[C@@H]3CC[C@@]21C 254383276 BDQPONLPDKZVNG-WFISJHPESA-N 346.467 2.809 30 40 EFEB CC1CCN(c2nc(N3CCCC3)c3c(c2C#N)CCN(C)C3)CC1 13816859 YKVPHNMWTDYTHJ-UHFFFAOYSA-N 339.487 2.778 30 40 EFEB O=C1CN(/N=C/c2ccc(-c3ccc(Br)cc3)o2)C(=O)N1 8216970 NVZNXNDGZUAARJ-FRKPEAEDSA-N 348.156 2.595 30 40 EFEB Cc1cc(S(=O)(=O)N(CCC#N)Cc2cccnc2)c(C)s1 40464622 GVFAQWLNGAFVSR-UHFFFAOYSA-N 335.454 2.865 30 40 EFEB N#Cc1cccc(S(=O)(=O)NC[C@H]2CCCc3ccccc32)c1 32771242 ODVQOAIIHLAHHY-MRXNPFEDSA-N 326.421 2.957 30 40 EFEB C=CCN1C(=O)N[C@@H](c2cccc(F)c2)C(C(=O)OCCOC)=C1C 7550988 ZOUAERSDERITRM-INIZCTEOSA-N 348.374 2.542 30 40 EFEB C[C@@H](Oc1ccc(Cl)cc1C(N)=O)C(=O)Nc1ccc(C#N)cc1 8748751 MNMUHSMXPIEJGD-SNVBAGLBSA-N 343.770 2.717 30 40 EFEB N#Cc1ccc(F)c(CNC(=O)NCc2cccc([N+](=O)[O-])c2)c1 76086437 CFYHIRGYZSUZPJ-UHFFFAOYSA-N 328.303 2.605 30 40 EFEB C[C@H](Cc1ccco1)NC(=O)C1CCN(c2ccc(C#N)cn2)CC1 48234519 RBKTVMCDDQCIHF-CQSZACIVSA-N 338.411 2.510 30 40 EFEB Cc1c(O)c(C(=O)/C=C/N(C)C)cc2c3c(c(=O)oc12)CCCC3 13692108 SNSAJBQOBGWGMW-CMDGGOBGSA-N 327.380 2.944 30 40 EFEB COc1cc(OC)c(C(=O)Oc2ccc(C#N)cc2OC)cc1OC 15988551 WULKDVCGJDYONY-UHFFFAOYSA-N 343.335 2.812 30 40 EFEB C[C@@H](CC#N)NC(=O)[C@@H](Cc1ccccc1)NC(=O)c1cccs1 69814713 GASFCEJXFVDKDU-DZGCQCFKSA-N 341.436 2.508 30 40 EFEB Cc1nc(C)n(C[C@H]2CCCN(CCOc3ccccc3C#N)C2)n1 69842228 KIDKYWNZCBWDGP-KRWDZBQOSA-N 339.443 2.558 30 40 EFEB N#C[C@@H](C(=O)CSc1cn[nH]n1)c1nc(-c2ccccc2)cs1 97227363 NCHIPPJAOGSOKK-NSHDSACASA-N 341.421 2.897 30 40 EFEB N#Cc1ccccc1NC(=O)CN1C(=O)COc2ccc(Cl)cc21 324109895 NILCITOISXHHAJ-UHFFFAOYSA-N 341.754 2.576 30 40 EFEB Cc1oc(-n2cccc2)c(C#N)c1C(=O)N1CC[C@]2(CCOC2)C1 96462277 NVRIAJLNGLMFJA-SFHVURJKSA-N 325.368 2.503 30 40 EFEB Cc1cc(C)nc(-n2cc(C(=O)O[C@@H]3CCCC[C@@H]3C#N)c(C)n2)n1 96442006 WCZKGLIUTSXLAJ-GDBMZVCRSA-N 339.399 2.827 30 40 EFEB N#CCCn1cc(C(=O)CN2CCO[C@@H]3CCC[C@@H]32)c2ccccc21 96445726 BRLGCVHZGZVRJN-AZUAARDMSA-N 337.423 2.991 30 40 EFEB CC(C)[C@H](C#N)NC(=O)[C@H]1Cc2ccccc2O[C@@H]1C(F)(F)F 1614993968 LVAAQGCKPAAVHN-OBJOEFQTSA-N 326.318 2.833 30 40 EFEB COC(=O)COc1ccc(/C=C2\Oc3cc(OC)ccc3C2=O)cc1 16960169 PPAFXUGHFAYDMW-MFOYZWKCSA-N 340.331 2.863 30 40 EFEB biogenic C=CCn1c(C)nnc1S[C@H](C)c1nc2ccccc2c(=O)[nH]1 6105803 RZGIGWLOWYMFPB-SNVBAGLBSA-N 327.413 2.862 30 40 EFEB COc1ccc(Br)c(OC)c1B1OC(C)(C)C(C)(C)O1 1911530819 HQAGPTALWGIIKC-UHFFFAOYSA-N 343.026 2.766 30 40 EFEB Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)NC1CCC(C)CC1 40510993 SURASBDRMDMELH-UHFFFAOYSA-N 339.443 2.845 30 40 EFEB C#CCn1/c(=N/C(=O)c2ccn(C)n2)sc2cc(C(C)C)ccc21 101130674 FLTZUSBDOPQYEO-HNENSFHCSA-N 338.436 2.934 30 40 EFEB Cc1cccc(N2CCN(CC(=O)Nc3ccccc3C#N)CC2)c1 12542428 MVSXCISQVOTREI-UHFFFAOYSA-N 334.423 2.627 30 40 EFEB CC(C)[C@](C)(C#N)NC(=O)CN1C[C@@H](C)OC[C@@H]1c1ccccc1 107584914 ONPXNBAETIIPDJ-SUMDDJOVSA-N 329.444 2.503 30 40 EFEB COc1ccc(NC(=O)COc2ccc(/C=N/O)cc2OC)cc1 12483666 MFAVAKPAEKHETJ-VCHYOVAHSA-N 330.340 2.529 30 40 EFEB O=S(=O)(/N=C(\O)CCCn1cccn1)c1cccc(Cl)c1 78556448 FGUSIUJZRDKYDW-UHFFFAOYSA-N 327.793 2.662 30 40 EFEB Cc1ccc(S(=O)(=O)[C@H]2[C@H](c3ccccc3)[C@@]2(C#N)C(=O)O)cc1 218044556 OOXUYCOASAGSJW-XYJFISCASA-N 341.388 2.529 30 40 EFEB C=CCn1c(N)nnc1SCc1ccn(-c2ccc(F)cc2F)n1 192138161 YVMWXFPKHDHZIY-UHFFFAOYSA-N 348.382 2.803 30 40 EFEB C[C@@H]1CCCN(S(=O)(=O)N(CCC#N)c2ccc(F)cc2)C1 96426102 MQABVSASXYZNKM-CYBMUJFWSA-N 325.409 2.522 30 40 EFEB CS(=O)(=O)c1ccc(CNc2snc(Cl)c2C#N)cc1 44975968 AARKIXYOTFOWMF-UHFFFAOYSA-N 327.818 2.684 30 40 EFEB C[C@H](CC#N)Sc1ccccc1NC(=O)CSc1nncn1C 78565989 XDGKOHQHTAZCJW-LLVKDONJSA-N 347.469 2.940 30 40 EFEB Cc1cccc2sc(N3CCN(c4nccc(C#N)n4)CC3)nc12 1888879481 MICMSCOSOBZGDG-UHFFFAOYSA-N 336.424 2.593 30 40 EFEB N#Cc1cccnc1N1C[C@@H]2CN(c3cc(C4CCC4)ncn3)C[C@@H]2C1 585615895 CGZNDHGYGJIAOA-CALCHBBNSA-N 346.438 2.583 30 40 EFEB C=CCc1ccccc1OC[C@@H](O)Cn1c(=O)n(C)c2ccccc21 32760063 ZTKWOUFWCVJONB-INIZCTEOSA-N 338.407 2.508 30 40 EFEB C[C@H](CN(C)C)C(=O)C(=Cc1ccccc1)C(=O)[C@H](C)CN(C)C 1587253 YUCPANIBZSZJSW-HZPDHXFCSA-N 330.472 2.604 30 40 EFEB C=CCNC(=O)c1ccccc1C(=O)c1ccc(NC)c([N+](=O)[O-])c1 12527099 OGSMPASHMNROJC-UHFFFAOYSA-N 339.351 2.783 30 40 EFEB CCOC(=O)/C(=N\Nc1cc(Cl)ccc1Cl)NCCOC 12559793 FIBDGLKOUFQOOB-UHFFFAOYSA-N 334.203 2.518 30 40 EFEB C=CCn1c(SCCOC(=O)N(C)C)nnc1-c1ccoc1C 96010370 JMVHBLLCMPMSOK-UHFFFAOYSA-N 336.417 2.823 30 40 EFEB CC(C)Cc1noc(CN2CCN(c3ccc(C#N)cc3F)CC2)n1 58330318 UKQPZDUKYOYHSV-UHFFFAOYSA-N 343.406 2.601 30 40 EFEB C[C@@H]1CN(C(=O)CNc2ccc(C#N)cc2)C[C@@H](c2ccccc2)O1 58406474 UIZGDZAKAVBRHD-BEFAXECRSA-N 335.407 2.959 30 40 EFEB CCN(CC)c1ccc(/C=N/N2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)cc1 104681156 BIPBMNLOIRXGKS-CYRIFROVSA-N 337.423 2.674 30 40 EFEB O=C(N/C(=N/c1ncccn1)C(=O)c1ccccc1)c1ccccc1 12788729 VOFDWRIUJLKFQH-UHFFFAOYSA-N 330.347 2.820 30 40 EFEB N#CCCCn1ccc(NC(=O)N2CCCC[C@@H]2c2ncc[nH]2)n1 88389817 AKQPCVXFAVUZCT-CYBMUJFWSA-N 327.392 2.669 30 40 EFEB CN(Cc1ccc(C#N)cc1)C(=O)[C@@H]1CCCCN1Cc1cccnc1 71893263 VRQKUKOIULCVLO-FQEVSTJZSA-N 348.450 2.966 30 40 EFEB CCc1cccc2c(C(=O)Cn3nc(C)c(C)c(C#N)c3=O)c[nH]c12 7442185 AFKFHKLJEDOGIU-UHFFFAOYSA-N 334.379 2.658 30 40 EFEB C[C@@H](C(=O)Nc1ccccc1C#N)N(C)Cc1ccc2c(c1)OCO2 7640887 MURBBQMUGNFDQX-ZDUSSCGKSA-N 337.379 2.746 30 40 EFEB N#Cc1cccn(Cc2cn(-c3ccc(Cl)c(Cl)c3)nn2)c1=O 97082495 JXTDWUQRBVDRAF-UHFFFAOYSA-N 346.177 2.656 30 40 EFEB CCN(CC(=O)NC(C)(C)C)C(=O)C(C)(C)c1cccc(C#N)c1 73853127 CBLKBZHRZFKOIN-UHFFFAOYSA-N 329.444 2.599 30 40 EFEB CN(Cc1ccccc1C(C)(C)C#N)[C@@H]1CCC[C@@H]1S(C)(=O)=O 96480656 IDCKWBPWHFULMZ-SJORKVTESA-N 334.485 2.885 30 40 EFEB C#Cc1cccc(N(C)S(=O)(=O)c2ccc(C)c(NC(C)=O)c2)c1 96412329 RRNAHDDFVASCMP-UHFFFAOYSA-N 342.420 2.760 30 40 EFEB COCCNc1ccccc1CNC(=O)NCc1cccc(C#N)c1 96475529 VPVYCGCKAUMCCU-UHFFFAOYSA-N 338.411 2.616 30 40 EFEB C=C[C@@H](C(=O)N1CCC[C@@H](CNC(=O)C(C)C)C1)c1ccccc1 1616037553 CWZNJRKMDIDNEK-FUHWJXTLSA-N 328.456 2.967 30 40 EFEB C/C(=N/NC(=S)N1CCN(C2CCCCC2)CC1)c1ccccn1 5618894 XRNUKBNDPNWHJV-HKWRFOASSA-N 345.516 2.630 30 40 EFEB COc1ccc(OC)c([C@@H]2[C@H]3CCCC[C@@]3(O)CCN2CC#N)c1 13776152 QMJFUVFWXGMIAN-BHIYHBOVSA-N 330.428 2.895 30 40 EFEB Cn1cc(S(=O)(=O)/N=C(\O)[C@H]2C[C@H]2c2cccc(Cl)c2)cn1 50205284 HOJKSTNXGWZVEI-STQMWFEESA-N 339.804 2.522 30 40 EFEB O=C1O[C@@H](c2ccc([N+](=O)[O-])cc2)/C(=C(\O)c2ccccc2)C1=O 102559129 NWTRBDPSOMESQW-FIPLFPIMSA-N 325.276 2.731 30 40 EFEB CC(=O)Nc1ccc(OC[C@H](O)COc2ccc(CC#N)cc2)cc1 27211798 CGJWWOUYXDEFMT-QGZVFWFLSA-N 340.379 2.530 30 40 EFEB CC(C)Oc1ccc(C#N)cc1NCc1nnnn1-c1ccccc1 58155849 XRPVXSKCVYHBIY-UHFFFAOYSA-N 334.383 2.933 30 40 EFEB Cc1cc(C)cc(CO/N=C(/N)c2ccc(S(C)(=O)=O)cc2)c1 95963729 MNSJLVJECMSKHF-UHFFFAOYSA-N 332.425 2.544 30 40 EFEB Cc1ccc(COc2cccc(/C=N/Nc3nc(=O)[nH]nc3C)c2)cc1 4422798 YHGHFNBWELXNMC-RGVLZGJSSA-N 349.394 2.807 30 40 EFEB COc1ccc(C/C(N)=N/OC(=O)c2ccc(C)cc2)cc1OC 4673070 KEPNFZRHCWHULF-UHFFFAOYSA-N 328.368 2.684 30 40 EFEB C=CCN1C(=O)S/C(=C\c2ccc(OCC#N)c(OC)c2)C1=O 409385681 JELOQVLMAQVSNZ-UVTDQMKNSA-N 330.365 2.820 30 40 EFEB N#Cc1cccc(NS(=O)(=O)c2ccc3c(c2)OCCCO3)c1 7057253 BQNWGERWVPCCTI-UHFFFAOYSA-N 330.365 2.520 30 40 EFEB N#Cc1ccc(OCC(=O)NC[C@@H](O)c2ccc3ccccc3c2)cc1 71890789 VNNYRUPNCHFWIR-HXUWFJFHSA-N 346.386 2.940 30 40 EFEB C=CCNC(=O)c1nc(C(=O)N2CCc3sccc3[C@H]2C)cs1 69349091 WEQZCTPMLCRSSQ-SNVBAGLBSA-N 347.465 2.880 30 40 EFEB C=CCc1cc(/C=C2\C(=O)ON=C2C)cc(OCC)c1OCC(=O)O 409081346 POJFJGOBYYSVDN-ZSOIEALJSA-N 345.351 2.593 30 40 EFEB C[C@@H]1O[C@H](C)[C@@H](C(=O)NC2(c3cccc(C#N)c3)CCOCC2)[C@@H]1C 529517114 GXPNNHMZQHUNDJ-FSZRXZPDSA-N 342.439 2.740 30 40 EFEB CCCc1nc(SCc2ccc(C(=O)OC)cc2)nc(N)c1C#N 225892082 NVXOXCYAFNVWGN-UHFFFAOYSA-N 342.424 2.962 30 40 EFEB CN(Cc1ccccc1C(C)(C)C#N)[C@H]1CCC[C@H]1S(C)(=O)=O 248031248 IDCKWBPWHFULMZ-DLBZAZTESA-N 334.485 2.885 30 40 EFEB COc1cc(C=Nn2c(S)nnc2-c2ccccc2)ccc1O 252429485 ULUUPBXLBTXAFU-UHFFFAOYSA-N 326.381 2.830 30 40 EFEB N#Cc1c[nH]cnc1=Nc1cnn(Cc2cc(F)ccc2Cl)c1 1640061022 XLJWHXYQAZVPPK-UHFFFAOYSA-N 328.738 2.551 30 40 EFEB C#CCCC1(CCC(=O)N[C@H](C(=O)O)c2ccccc2Cl)N=N1 1616030205 ABPSSBNAGJUBCG-AWEZNQCLSA-N 333.775 2.938 30 40 EFEB O=C1/C(=C/c2ccc([N+](=O)[O-])cc2)CS(=O)(=O)c2ccccc21 3177809 NARFHEHAYXDUGU-FMIVXFBMSA-N 329.333 2.648 30 40 EFEB CCOc1cc(/C=N\O)ccc1OS(=O)(=O)c1ccc(C)cc1 12729782 HGDFCODWMVUDAB-BOPFTXTBSA-N 335.381 2.970 30 40 EFEB N#CC1(NC(=O)COC(=O)C2(c3ccccc3)CCC2)CCCCC1 16376705 LNNZONMCCNLGPZ-UHFFFAOYSA-N 340.423 2.994 30 40 EFEB Cc1ccc(C(=O)C2=C(O)C(=O)N(CCO)[C@@H]2c2ccccc2)cc1 17124815 HXJYCZUTLZCWES-QGZVFWFLSA-N 337.375 2.566 30 40 EFEB N#Cc1ccccc1CN1CCN(Cc2ccc3c(c2)OCO3)CC1 22774564 FDDLZIPVWZIWNN-UHFFFAOYSA-N 335.407 2.605 30 40 EFEB C[C@H]1CCCC[C@H]1NC(=O)CO/N=C(/N)Cc1ccccc1Cl 58439646 VGYFGKQYHVKREA-SWLSCSKDSA-N 337.851 2.866 30 40 EFEB Cc1nn(C)cc1C(=O)/C=C/c1ccc(N2CCOCC2)c(F)c1 75127030 OHLNRQIWPMXONY-GQCTYLIASA-N 329.375 2.600 30 40 EFEB CC(C)[C@](C)(C#N)NC(=O)COC(=O)c1ccccc1C(F)(F)F 3535161 WEHGXGWYMQQBCD-HNNXBMFYSA-N 342.317 2.917 30 40 EFEB N#Cc1ccccc1OCC(=O)N1CCO[C@@H](c2cccc(F)c2)C1 66705144 OPVKWIHUWFOZIS-GOSISDBHSA-N 340.354 2.676 30 40 EFEB C=CCOc1ccc(/C=N\N2C(=O)CSC2=S)cc1OCC 409352738 YYLBZMIXJALWKQ-SXGWCWSVSA-N 336.438 2.844 30 40 EFEB Cc1nccn1CCCC(=O)N[C@@H](C#N)c1cnn(-c2ccccc2)c1 68398471 WUEIADLORCHAPU-SFHVURJKSA-N 348.410 2.539 30 40 EFEB CCOc1ccc(C#N)cc1NC(=O)CN1C(=O)CCc2ccccc21 71894080 TXIISQRYGNPHBW-UHFFFAOYSA-N 349.390 2.875 30 40 EFEB CCn1nc(C)c(C(=O)/C=C/c2cnc(N3CCCC3)nc2)c1C 71853620 IKJHJABZUBIFIX-BQYQJAHWSA-N 325.416 2.806 30 40 EFEB CCC(=O)N1CSC[C@@H]1C(=O)N(Cc1ccc(C#N)cc1)C(C)C 69653742 KHGKBNFYZOMEBH-MRXNPFEDSA-N 345.468 2.607 30 40 EFEB C#CCn1cc(CN(C)Cc2ccc(C#N)cc2Br)cn1 97047151 YPAVUIXVCWNBLS-UHFFFAOYSA-N 343.228 2.782 30 40 EFEB N#C[C@H](NC(=O)c1n[nH]c2ccccc2c1=O)c1cccc(Cl)c1 72287879 DYLWNQVAHQQRAA-AWEZNQCLSA-N 338.754 2.571 30 40 EFEB CCCCC[C@H](O)CC(=O)O[C@@H](C)C(=O)NC1(C#N)CCCCC1 72290040 KBBRPDYSMFZNKS-GJZGRUSLSA-N 338.448 2.592 30 40 EFEB N#C[C@@]1(NC(=O)c2ccn(-c3ccccc3Cl)n2)CCSC1 84515038 FHQQLNRGDBAKDJ-HNNXBMFYSA-N 332.816 2.655 30 40 EFEB Cc1nc2n(n1)[C@H](c1ccccc1[N+](=O)[O-])C1=C(C[C@@H](C)CC1=O)N2 22608059 PTXSXZYJBXUNTQ-JDNHERCYSA-N 339.355 2.763 30 40 EFEB CCCN(CC#Cc1ccccc1Cl)[C@H]1CCS(=O)(=O)C1 95432380 BUINXEOMAHTKPV-HNNXBMFYSA-N 325.861 2.591 30 40 EFEB Cc1ccc([N+](=O)[O-])c(C(=O)NCCNc2cccc(F)c2C#N)c1 95401819 ZPTJBXHEPZVKBL-UHFFFAOYSA-N 342.330 2.756 30 40 EFEB C#CCn1cc(CN(C)C(=O)NCc2cc(Cl)ccc2OC)cn1 89364872 JJQABDADERFZCG-UHFFFAOYSA-N 346.818 2.520 30 40 EFEB N#CC1(C#N)[C@H](c2ccc(F)cc2)[C@@H]1S(=O)(=O)c1ccccc1 218365603 QDFNBEBNDYVNPA-CVEARBPZSA-N 326.352 2.799 30 40 EFEB N#C[C@]1(N)[C@@H](S(=O)(=O)c2ccc(Cl)cc2)[C@@H]1c1ccccc1 218056080 NLTUKCSWQLISEX-HRCADAONSA-N 332.812 2.501 30 40 EFEB CC(=O)Nc1ccc(O)c(C(=O)OCc2cn3ccccc3c2C#N)c1 64119275 DFPOEORHLMFDIH-UHFFFAOYSA-N 349.346 2.832 30 40 EFEB Cc1nc(-c2ccc(I)cc2)nn1CCC#N 95438940 VTGQMYTYKAZZRT-UHFFFAOYSA-N 338.152 2.772 30 40 EFEB C=CCNC(=O)CN[C@H]1CCN(CC)[C@H]1c1ccc(Cl)c(F)c1 252509157 YDKJVXDPZAHERS-RDJZCZTQSA-N 339.842 2.506 30 40 EFEB Cc1cc2c(N3CCC[C@@H](COc4cc(C#N)ccn4)C3)nccn2n1 1889143360 ZBFCSYHZRAJWOO-MRXNPFEDSA-N 348.410 2.600 30 40 EFEB Cc1ccc(C#N)c(N2CCC[C@H](C(=O)N3CCC(F)(F)CC3)C2)n1 2298183889 SMNSJIPMZBWPTF-HNNXBMFYSA-N 348.397 2.736 30 40 EFEB N#Cc1cccnc1N1CCC(C(=O)c2ccc3c(c2)OCCO3)CC1 30773513 GBWJJNDSUQPPSY-UHFFFAOYSA-N 349.390 2.824 30 40 EFEB CN(Cc1ccsc1)C(=O)C1CCN(c2ccc(C#N)cn2)CC1 40485306 YUJDNEGFPAXWMU-UHFFFAOYSA-N 340.452 2.890 30 40 EFEB COC(=O)C(C(=O)CSc1nccs1)=C1Nc2ccccc2N1 103268660 PZSGZHSUXNEJSH-UHFFFAOYSA-N 347.421 2.727 30 40 EFEB N#Cc1ccc(S(=O)(=O)N2CCCc3cc(F)c(F)cc32)cc1 26828653 DRKNPIOTEGZSPY-UHFFFAOYSA-N 334.347 2.978 30 40 EFEB CNC(=O)[C@@H](C#N)C(=O)c1ccc(Oc2cccc(F)c2C#N)cc1 102762941 GCXGOGGFEMGSIF-AWEZNQCLSA-N 337.310 2.558 30 40 EFEB CC(C)[C@@](C)(C#N)NC(=O)CN1CCO[C@H](c2ccccc2Cl)C1 69616085 HROYYQABLBCGRG-FUHWJXTLSA-N 349.862 2.768 30 40 EFEB CC(=O)Nc1cccc(OCCNc2ccc(C#N)cc2[N+](=O)[O-])c1 69744169 DTYTXWXLEWXRPZ-UHFFFAOYSA-N 340.339 2.916 30 40 EFEB COc1ccc(/N=C\c2cccc(OC)c2O[C@@H](C)C(=O)O)cn1 409232377 OMBQYJICMYQGLS-HCGGYXKBSA-N 330.340 2.701 30 40 EFEB O=S(=O)(/N=C(\O)[C@H]1C[C@H]1c1cccc(F)c1F)c1cccnc1 76761041 MNSYERLNWIWIBW-RYUDHWBXSA-N 338.335 2.809 30 40 EFEB COc1ccc(NC(=O)C2(C#N)CCCCC2)cc1C(=O)N(C)C 225959543 XPQGICFRANQNKE-UHFFFAOYSA-N 329.400 2.810 30 40 EFEB 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Cc1ccc(S(=O)(=O)[C@@H]2[C@H](c3ccccc3)[C@]2(C#N)C(=O)O)cc1 242592247 OOXUYCOASAGSJW-JZXOWHBKSA-N 341.388 2.529 30 40 EFEB Cc1nn(C)c(C)c1C(=O)/C=C/c1cccc(OCCC(=O)O)c1 58465107 FVGJVMUIZFPSKP-BQYQJAHWSA-N 328.368 2.787 30 40 EFEB CC[C@@](C)(C#CCN1CCOCC1)OCCOCc1ccccc1 19909936 RJPIAJFYTGIOTN-FQEVSTJZSA-N 331.456 2.724 30 40 EFEB CCOc1ccc(S(=O)(=O)N/N=C2/CCc3ccccc3C2)cc1 4915173 GRGZBNFYVOBNOA-MNDPQUGUSA-N 344.436 2.909 30 40 EFEB O=C(Nc1ccccc1F)[C@@H]1CCCN1/C=C/C(=O)C(F)(F)F 4119681 FDZWIOGLGDEDMY-CRALRDPISA-N 330.281 2.874 30 40 EFEB C=CCN1C(=O)CCC12CCC(NC(=O)C1(C#N)CCCC1)CC2 2055819399 GAKHBYBTXFWPQG-UHFFFAOYSA-N 329.444 2.676 30 40 EFEB Cc1cc(O[C@H]2CCCN(C(=O)c3ccc(C#N)cc3)C2)nc(C)n1 575605417 PJBMBDNBCKUNRC-KRWDZBQOSA-N 336.395 2.649 30 40 EFEB CCOc1ccc(CC(=O)C2=C(NC)CCCC2=O)cc1OCC 100168020 PJQZZVUJWZNWAO-UHFFFAOYSA-N 331.412 2.822 30 40 EFEB Cc1ccc(C(=O)OCc2ccccc2C#N)cc1S(C)(=O)=O 53899811 RHZOQPBZLQEEOH-UHFFFAOYSA-N 329.377 2.627 30 40 EFEB CC(C)C(=O)N(C)Cc1ccc(C(=O)Nc2ccc(C#N)cn2)cc1 78870128 QZENKMOGXOBOLB-UHFFFAOYSA-N 336.395 2.820 30 40 EFEB C=CCNC(=O)NC(=O)CSc1ccc(Br)cc1 3552449 DILGLZBLAREJNF-UHFFFAOYSA-N 329.219 2.553 30 40 EFEB N#CCSCC(=O)N1CCC[C@@H]1[C@H]1CCCN1Cc1ccccc1 108185266 XQTRYDASRNALLO-QZTJIDSGSA-N 343.496 2.899 30 40 EFEB Cc1cccc([C@H]2C[C@@H]2C(=O)N2CCN(c3cc(C#N)ccn3)CC2)c1 69379352 FYRFNDASTFAGJD-MOPGFXCFSA-N 346.434 2.714 30 40 EFEB N#Cc1cn(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)c2ccccc12 216942459 WKJPBYYGMVRWCT-UHFFFAOYSA-N 327.321 2.658 30 40 EFEB CCN(CC)S(=O)(=O)/N=C(\O)[C@H]1C[C@@H]1c1cc(F)ccc1F 76912951 BCYWVDKJWBNOJT-PWSUYJOCSA-N 332.372 2.611 30 40 EFEB N/C(=N\c1cccc(OC(F)(F)F)c1)Nc1ccc([N+](=O)[O-])cn1 225236639 OEJJLPLUTLIJIA-UHFFFAOYSA-N 341.249 2.947 30 40 EFEB Cc1cccc([N+](=O)[O-])c1C(=O)Nc1cnn(-c2ncccc2C#N)c1 192486388 PDRLVNSYNXQDPL-UHFFFAOYSA-N 348.322 2.608 30 40 EFEB Cc1cccc2c1N(S(=O)(=O)c1ccc(C#N)nc1)CC[C@H]2C 581943805 YZNGOLAFDUJJNL-GFCCVEGCSA-N 327.409 2.964 30 40 EFEB C=CCNC(=O)CN[C@@H]1CCN(CC)[C@@H]1c1ccc(Cl)c(F)c1 252509156 YDKJVXDPZAHERS-NVXWUHKLSA-N 339.842 2.506 30 40 EFEB C=C[C@@H](CC(=O)NC[C@@H](Cc1cccnc1)C(=O)O)c1ccccc1 1615587540 HCDSQOHTEKNOLQ-FUHWJXTLSA-N 338.407 2.801 30 40 EFEB CC(C)(C)OC(=O)NCCCC(=O)Nc1ccc(C#CC#N)cc1 888086740 AMGRZHJEZVBBHV-UHFFFAOYSA-N 327.384 2.805 30 40 EFEB N#Cc1ccc(N2CCC(C(=O)NCc3cccs3)CC2)nc1 40481497 WXRRBCPGSVXVDP-UHFFFAOYSA-N 326.425 2.548 30 40 EFEB COc1ccc(OC)c(/C=N/NC(=S)NCc2ccccc2)c1 6170189 RBCUZPDXBAIAQW-XDHOZWIPSA-N 329.425 2.702 30 40 EFEB COc1ccc(CC(=O)Nc2ccc(OCC#N)cc2)c(OC)c1 19600220 SXYGHHPGOYCDII-UHFFFAOYSA-N 326.352 2.787 30 40 EFEB CC(C)Oc1ccccc1CC(=O)[C@@H](C#N)C(=O)N1CCCCC1 101930128 SWUDRKXMVZMQDA-MRXNPFEDSA-N 328.412 2.738 30 40 EFEB CCOc1ccc([C@H]2C3=C(CCCC3=O)OC(N)=C2[N+](=O)[O-])cc1 494292 QGRYBVIOYUBOIE-AWEZNQCLSA-N 330.340 2.611 30 40 EFEB O/C(=N\c1ncn(Cc2ccccc2)n1)[C@@H]1COc2ccccc2O1 54114091 VJJOPBQLOSNXHO-INIZCTEOSA-N 336.351 2.754 30 40 EFEB N#CCCCOc1cccc(NC(=O)N2CCC3(CC2)OCCO3)c1 47736295 MJJBYFAOWLZXLW-UHFFFAOYSA-N 345.399 2.740 30 40 EFEB N#Cc1ccc(COc2ccc([C@H]3CC(=O)Nc4ncnn43)cc2)cc1 6472271 CUFDRSJILKDICS-QGZVFWFLSA-N 345.362 2.660 30 40 EFEB N#Cc1c(N2C(=O)[C@@H]3[C@@H]4CC[C@@H](O4)[C@@H]3C2=O)sc2c1CCCCC2 6597132 VRJFXZRIQGZEKB-IKARSPCKSA-N 342.420 2.555 30 40 EFEB O=C(Nc1cccc(S(=O)(=O)/N=C2/CCCN2)c1)C1CCCCC1 35418329 QPFXDDFNOMGNNM-UHFFFAOYSA-N 349.456 2.676 30 40 EFEB CC(C)OCCCNC(=O)C1CCN(c2cccc(F)c2C#N)CC1 58314243 HYMODPZPYXLTNY-UHFFFAOYSA-N 347.434 2.845 30 40 EFEB CCSc1ccc(C(=O)[C@@H](C#N)C(=O)NC2CCCCC2)cn1 171035829 HDVFHOVZYNXFLJ-CQSZACIVSA-N 331.441 2.965 30 40 EFEB Cc1[nH]c2ccccc2c1/C=N/N1C(=O)[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@H]34)[C@H]2C1=O 100386588 IKZCSAPFNLJAJB-OMYJUSSNSA-N 345.402 2.863 30 40 EFEB C=CCn1c(S[C@@H]2CCOC2=O)nc2scc(C3CC3)c2c1=O 3448838 TUTOTIUSRKDSNY-LLVKDONJSA-N 348.449 2.929 30 40 EFEB CCN(CC)C(=O)c1cn(CCC#N)nc1-c1cccc(OC)c1 5000345 IFFDZNXOJPMQFS-UHFFFAOYSA-N 326.400 2.954 30 40 EFEB COCc1c(C#N)c(O)nc(/C=C/c2ccc(O)cc2)c1[N+](=O)[O-] 409197187 YBMYLCVLZPROEQ-QPJJXVBHSA-N 327.296 2.589 30 40 EFEB Cc1nnc(SCc2cc(=O)n3c(C)cccc3n2)c(C#N)c1C 97080554 WQIXIXPFSLWOBG-UHFFFAOYSA-N 337.408 2.574 30 40 EFEB COC(=O)[C@@H]1CN(C(=O)[C@@H]2C[C@@H]2c2cccc(C#N)c2)c2ccccc21 95406138 WDKPQKHANSLJQJ-KZNAEPCWSA-N 346.386 2.965 30 40 EFEB OC1(CN/C(=N\Cc2ccccc2)NC2CCCCC2)CCOCC1 75583162 VXYFDAGOSIMZCD-UHFFFAOYSA-N 345.487 2.596 30 40 EFEB N#C[C@]1(CO)[C@H](c2cccc(Cl)c2)[C@@H]1S(=O)(=O)c1ccccc1 218363548 IOGHZKOBTKSAEG-IKGGRYGDSA-N 347.823 2.782 30 40 EFEB CC(C)COc1cncc(N2CCc3c(sc(N)c3C#N)C2)n1 86178888 NLBXQWGVRWBCTP-UHFFFAOYSA-N 329.429 2.589 30 40 EFEB C=CCN1C(=O)CCC[C@@]12CCCN(C(=O)c1ccc(OC)cc1)C2 96229921 HQHUJAVZKDWSGR-FQEVSTJZSA-N 342.439 2.869 30 40 EFEB CN(C)c1ccc(C(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)cc1 74681902 QYYZGHNZXNHJIA-HXUWFJFHSA-N 348.450 2.603 30 40 EFEB Cc1ccc(-c2nn(-c3ccccc3)cc2/C=N/NC(N)=S)o1 3206846 BZYGJFSAMQVXEU-GIJQJNRQSA-N 325.397 2.608 30 40 EFEB C=CCn1c(SCC(=O)N(CC)CC)nc2ccccc2c1=O 554307 ALIFKVCSMYNYQO-UHFFFAOYSA-N 331.441 2.543 30 40 EFEB COc1ccc([C@H]2C(C(C)=O)=C(O)C(=O)N2Cc2ccco2)cc1 74541 SXWPQLQHCFDSPD-INIZCTEOSA-N 327.336 2.773 30 40 EFEB C[C@H]1CCc2c(sc(NC(=O)CCN3CCO[C@@H](C)C3)c2C#N)C1 106045560 NJWLCCXXBYHDFT-STQMWFEESA-N 347.484 2.794 30 40 EFEB O=C[C@@H]1O[C@H](c2ccccc2)O[C@H]2CO[C@H](c3ccccc3)O[C@H]21 4529601 FGRMUZCQGRXUEH-VMXHOPILSA-N 326.348 2.782 30 40 EFEB CN1C(=O)C(=O)/C(=C(/O)c2ccccc2)[C@H]1c1ccccc1[N+](=O)[O-] 104145672 XDRZDEYKQNDOAD-DPEHCCBOSA-N 338.319 2.646 30 40 EFEB Cc1ccc(C)c(S(=O)(=O)N/N=C/c2ccccc2[N+](=O)[O-])c1 3245715 JKXGFYMLJMBRGY-MHWRWJLKSA-N 333.369 2.524 30 40 EFEB N#Cc1cccc(OCCn2nnc(-c3ccc(Cl)cc3)n2)c1 47370012 YBUWTTFXYWDGJR-UHFFFAOYSA-N 325.759 2.944 30 40 EFEB CCCCCC/C=N/NS(=O)(=O)c1ccc(NC(C)=O)cc1 104326883 YHZKEFKDBVKBJS-FOWTUZBSSA-N 325.434 2.880 30 40 EFEB Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N(C)C1CCC(C)CC1 9048450 TVZSSRBTOYEITB-UHFFFAOYSA-N 329.444 2.833 30 40 EFEB CS(=O)(=O)Nc1ccc(C(=O)/C=C/c2cccc(C#N)c2)cc1 64307963 PSGDIQUKFNMGBI-BJMVGYQFSA-N 326.377 2.826 30 40 EFEB C[C@H]1CN(c2oc(-c3ccc([N+](=O)[O-])cc3)nc2C#N)C[C@@H](C)O1 13647138 WDEHUSLTCNOHRH-PHIMTYICSA-N 328.328 2.735 30 40 EFEB COC(=O)c1ccc(/C=C/C(=O)c2cccc(N3CCOC3=O)c2)o1 65488038 LTWKPHPOMFUPHA-FNORWQNLSA-N 341.319 2.919 30 40 EFEB CS(=O)(=O)c1cc(C(=O)Nc2ccc(C#N)cc2)ccc1Cl 14908376 NRBKWCWOQLYBSK-UHFFFAOYSA-N 334.784 2.867 30 40 EFEB C#CCN1CCC(C(=O)NC2(c3nc(C)cs3)CCCC2)CC1 71902972 JAPICTNOZKQOBK-UHFFFAOYSA-N 331.485 2.682 30 40 EFEB Cc1cc(S(=O)(=O)N(C)c2cccc(C#N)c2)ccc1[N+](=O)[O-] 71908796 IQYMCKSPNHDLEI-UHFFFAOYSA-N 331.353 2.600 30 40 EFEB Cc1cc([C@@H]2CCCN(CC(=O)Nc3oc(C)c(C)c3C#N)C2)n[nH]1 84111046 OTIOENHQTBDXSP-CQSZACIVSA-N 341.415 2.618 30 40 EFEB CN(CC(=O)N[C@H](C#N)c1ccccc1F)c1ccccc1[N+](=O)[O-] 72302857 QGLYJRWPMPQZAD-CQSZACIVSA-N 342.330 2.551 30 40 EFEB C/N=C(\NCCCOCc1ccco1)NCc1ccc(COC)cc1 95397713 QWBOADODHIFJIP-UHFFFAOYSA-N 345.443 2.698 30 40 EFEB CN(Cc1ccc(C#N)cc1F)[C@H]1CS(=O)(=O)c2ccccc21 89356205 JVXVUBCCZXOKGI-INIZCTEOSA-N 330.384 2.658 30 40 EFEB CCn1ncc2c1CCC[C@@H]2N[C@H]1CCN(c2ccc(C#N)cc2)C1=O 76046978 HWHYIVSJHAXJPQ-ROUUACIJSA-N 349.438 2.547 30 40 EFEB CC1=CC(=O)/C(=C\Nc2ccc3nc(-c4cccnc4)[nH]c3c2)C(=O)O1 1547200816 IOCOKXULSJZJCW-GXDHUFHOSA-N 346.346 2.950 30 40 EFEB CCn1cc(C=NN2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)c2ccccc21 409405869 INXJXUUZWWXROV-DSIZOQBWSA-N 333.391 2.802 30 40 EFEB C=CCOc1ccc(N(C)S(=O)(=O)c2ccccc2[N+](=O)[O-])cc1 224761989 CSZMBOUNGRGZTL-UHFFFAOYSA-N 348.380 2.985 30 40 EFEB C=CCNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)Cc1ccccc1 222760312 UBQCPHFDIFHTOZ-KRWDZBQOSA-N 336.435 2.949 30 40 EFEB Cc1nnc([C@H]2CN(c3c(C#N)cnc4ccccc34)C[C@@H](C)O2)o1 596505392 STLDJXDBYVWSSC-BDJLRTHQSA-N 335.367 2.764 30 40 EFEB Cc1nc(N2CCN(c3ccccc3)CC2)c(C#N)c(C)c1[N+](=O)[O-] 19882073 NPRFSRDOQRLTQZ-UHFFFAOYSA-N 337.383 2.805 30 40 EFEB COCCN1CCC[C@@]12CCCN(C(=O)C1(C#N)CCCC1)CC2 1565545000 WKIYLMKPMHYEKT-LJQANCHMSA-N 333.476 2.564 30 40 EFEB C=CCN1C(=O)[C@@](O)(CC(=O)c2ccc(OC)cc2)c2ccccc21 299862 AXCRMKDHMONGHG-HXUWFJFHSA-N 337.375 2.688 30 40 EFEB CC(C)(C)c1nc(C#N)c(NC[C@H](c2ccco2)N2CCOCC2)o1 27795023 WNCDFNYECKXHLW-CQSZACIVSA-N 344.415 2.922 30 40 EFEB N#Cc1nc(NC(=O)c2ccc(Oc3cccnc3)cc2)[nH]c1C#N 63288983 WMPZPIVFYILTJZ-UHFFFAOYSA-N 330.307 2.593 30 40 EFEB CC(C)Cc1nc(OCC(=O)N2CCCC2)c(C#N)c2c1CCC2 13690970 XQTYOZZOZOVBMJ-UHFFFAOYSA-N 327.428 2.642 30 40 EFEB C/C(=N\Nc1nc(C)cc(C)n1)c1ccc(N2CCOCC2)cc1 5158274 RAAFVVPEQKFDGH-RCCKNPSSSA-N 325.416 2.766 30 40 EFEB CN(Cc1ccc(C#N)cc1)C(=O)[C@H]1CCCCN1Cc1ccncc1 65575563 BLXBITRIYIWRSL-HXUWFJFHSA-N 348.450 2.966 30 40 EFEB C=CCn1cnnc1S[C@@H](C)C(=O)NCc1ccc(Cl)cc1 14249662 QGVXTNOPMWYPEV-NSHDSACASA-N 336.848 2.915 30 40 EFEB Cc1nc(CN2CCN(c3ncc(C#N)cc3Cl)CC2)cs1 69390734 UQKPDSVEHSALKV-UHFFFAOYSA-N 333.848 2.694 30 40 EFEB Cc1ccc([C@H]2C[C@H]2C(=O)NCCNc2ncccc2C#N)s1 69366845 AHMQHSPRRWGQFL-UONOGXRCSA-N 326.425 2.655 30 40 EFEB C=CCN1CC[C@@]2(CN(Cc3ccco3)C[C@@H]2c2nccs2)C1=O 306132003 KVLIIEJUUGHHAB-QAPCUYQASA-N 343.452 2.740 30 40 EFEB C[C@@H]1CN(S(=O)(=O)CC2(C#N)CC2)c2cc(Cl)ccc2O1 97379570 HSAGMFINEYOWDG-SNVBAGLBSA-N 326.805 2.561 30 40 EFEB N#Cc1cccc(NC(=O)N[C@H]2CCN(c3ccccc3F)C2=O)c1 69737920 WLCBIFNPAIPWIJ-HNNXBMFYSA-N 338.342 2.624 30 40 EFEB C[C@@H](C1CC1)N(CCC#N)C(=O)Nc1ccc(C(N)=O)c(Cl)c1 72305972 JTXHXLLFOBLMBR-JTQLQIEISA-N 334.807 2.985 30 40 EFEB CC/C(=N/NS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1 17148071 PRTJYFDLWOCLTK-NXVVXOECSA-N 333.369 2.687 30 40 EFEB O=C(C[n+]1ccccc1-c1ccccn1)c1ccc2c(c1)OCCO2 3193779 VSRFTOSQAABHPE-UHFFFAOYSA-N 333.367 2.690 30 40 EFEB COCCN1C(=O)C(O)=C(C(C)=O)[C@H]1c1ccc(Cl)cc1Cl 5799125 OMRDSIMLRCPWPL-CYBMUJFWSA-N 344.194 2.924 30 40 EFEB C=CCN(C(=O)c1ccc2c(=O)n(C)c(S)nc2c1)C1CCCC1 103749810 CHDNYXQQKBORBS-UHFFFAOYSA-N 343.452 2.793 30 40 EFEB CCOC(=O)c1c(C#N)cnn1-c1ncc(C(F)(F)F)cc1Cl 1400495 DTSDHXFVTXFENA-UHFFFAOYSA-N 344.680 2.988 30 40 EFEB C#CCSc1nc2c(c(=O)[nH]1)[C@@H](c1ccc(Cl)cc1)CC(=O)N2 4944246 UYIHYEPZYNUXIU-LLVKDONJSA-N 345.811 2.623 30 40 EFEB N#Cc1c(N2CCC[C@@H]2c2nnc3n2CCCCC3)nc2ccccn12 97082363 SYNLYDHBXWIBMH-CQSZACIVSA-N 347.426 2.865 30 40 EFEB O=C(O)/C=C1/CN([C@@H](C(=O)C2CC2)c2ccccc2F)CC[C@@H]1S 100073981 ZWUQVNSJSJHFPS-GBDOQOGUSA-N 349.427 2.861 30 40 EFEB in-vitro CCOC(=O)c1sc(N/N=C/c2ccc(C(=O)O)cc2)nc1C 4042682 QJIJOKACRAGPDP-LZYBPNLTSA-N 333.369 2.772 30 40 EFEB C=CCn1c(SCC(=O)OCC)nnc1-c1ccccc1OC 4196885 CPKSJHGQPPUIPI-UHFFFAOYSA-N 333.413 2.795 30 40 EFEB Cc1ccc(C(=O)C2=C(O)C(=O)N[C@H]2c2ccc3c(c2)OCO3)cc1 6025232 DJUVDTDPLGPNCG-INIZCTEOSA-N 337.331 2.590 30 40 EFEB C[C@@](C#N)(NC(=O)COC(=O)c1ccc2ccccc2c1O)C1CC1 6121728 NWWGCVWLDVOAHR-IBGZPJMESA-N 338.363 2.511 30 40 EFEB C=CCn1c(C)nnc1S[C@@H](C)c1nc2ccccc2c(=O)[nH]1 6105799 RZGIGWLOWYMFPB-JTQLQIEISA-N 327.413 2.862 30 40 EFEB CN(C)C(=O)COc1ccc(C(=O)/C=C/c2cccc(C#N)c2)cc1 14179293 BTCXNLOBSYYWBK-IZZDOVSWSA-N 334.375 2.921 30 40 EFEB CCNc1nc(NCC)nc(N/N=C(\C)c2ccc(OC)cc2)n1 5415293 GMQRKHSIRSGZOM-SSDVNMTOSA-N 329.408 2.580 30 40 EFEB N#C[C@@]1(NC(=O)c2cccc(-c3noc(C4CC4)n3)c2)CCSC1 96430806 HMWNBDYBQDUALQ-KRWDZBQOSA-N 340.408 2.743 30 40 EFEB N#CCCN(Cc1ccccn1)C(=O)COc1ccc(F)cc1F 69533094 ZVHYRHMHFZOQNP-UHFFFAOYSA-N 331.322 2.681 30 40 EFEB Cc1ccc(/C(N)=N/OCC(=O)N[C@H](C)[C@@H]2C[C@H]3CC[C@H]2C3)cc1 110509312 KAXVZJQZATYJGL-OHFALNGGSA-N 329.444 2.573 30 40 EFEB CO[C@H](C)c1cccc(NC(=O)C(=O)NCc2cccc(C#N)c2)c1 69738951 UGGMVHNQNXLKGS-CYBMUJFWSA-N 337.379 2.521 30 40 EFEB Cc1ccccc1[C@H](C#N)NC(=O)CCc1nncn1-c1ccccc1 72302879 ZCURMZVWCDPHTE-SFHVURJKSA-N 345.406 2.889 30 40 EFEB COc1ccc(CCN[C@H](c2ccc(C#N)cc2)P(=O)(O)O)cc1 12949495 KNQNRJFWNMQEKV-KRWDZBQOSA-N 346.323 2.575 30 40 EFEB N#Cc1cccc(OCc2cccc(C(=O)NCCn3ccnc3)c2)c1 79356352 FHUAOPCSZFGTMQ-UHFFFAOYSA-N 346.390 2.764 30 40 EFEB Cn1c(SCc2cccc(C#N)c2)nc(C(F)(F)F)cc1=O 1400822 XOGIDMZWDBDREO-UHFFFAOYSA-N 325.315 2.963 30 40 EFEB Cn1c(SCc2ccccc2C#N)nc(C(F)(F)F)cc1=O 1400821 BANDJZSDOWCFJG-UHFFFAOYSA-N 325.315 2.963 30 40 EFEB N#Cc1cccc(NC(=O)N[C@H](Cc2ccccc2)[C@@H](O)C(F)F)c1 58356350 GEVLYMZRCLLZJF-HZPDHXFCSA-N 345.349 2.917 30 40 EFEB O=C1CCCC(O)=C1[C@H](c1ccc(O)c(O)c1)C1C(=O)CCCC1=O 101674157 PXLAOQDFNFMDJT-QGZVFWFLSA-N 344.363 2.685 30 40 EFEB Cc1cc(C(=O)CC#N)c(C)n1-c1c(C)n(C)n(-c2ccccc2)c1=O 3886279 GIQOWYANJGWYJP-UHFFFAOYSA-N 348.406 2.988 30 40 EFEB O=[N+]([O-])c1ccc(O)c(/C=N/c2ccc(CN3CCOCC3)cc2)c1 5293703 WZNSYVIUKCSOTP-XDHOZWIPSA-N 341.367 2.883 30 40 EFEB N#Cc1ccsc1NC(=O)COC(=O)c1cc2c(s1)CCC2 5308303 GHPFHGMOGVDPIV-UHFFFAOYSA-N 332.406 2.965 30 40 EFEB N#CC1(NC(=O)CSc2ccc3c(c2)OCCCO3)CCCC1 6436957 ZYRFOMXBGMZAEP-UHFFFAOYSA-N 332.425 2.893 30 40 EFEB Cc1ccc(/C=N/NS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 6948310 ROOPILPUNNNGJJ-MHWRWJLKSA-N 333.369 2.524 30 40 EFEB CSc1ccccc1NC(=O)CN(C)C(=O)c1ccc(C#N)cc1 7350979 TVKXNRPMDZQOKK-UHFFFAOYSA-N 339.420 2.991 30 40 EFEB CN(Cc1cccc(C#N)c1)Cc1nc(-c2ccc3c(c2)OCO3)no1 69484595 AVWZABNYNVKHOO-UHFFFAOYSA-N 348.362 2.969 30 40 EFEB N#CCn1c(C(=O)N2CCC[C@H](n3ccnc3)C2)cc2ccccc21 69660304 WYWAXMRFFBFABP-INIZCTEOSA-N 333.395 2.839 30 40 EFEB C=C(Br)Cn1nc(Br)nc1Br 76092686 JHYCEGJTVRLNQU-UHFFFAOYSA-N 345.820 2.712 30 40 EFEB O=C1[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)N1N=Cc1ccc(Br)cc1 409409494 VRCOJNNPTOAYCX-AUZPSNTRSA-N 345.196 2.590 30 40 EFEB COc1ccccc1[C@H](C)CC(=O)[C@@H](C#N)C(=O)NC1CCCC1 78411103 OLQJXASKFNIIMB-CZUORRHYSA-N 328.412 2.956 30 40 EFEB COc1cc(C#N)ccc1OCCOc1nccc(C(F)(F)F)n1 580190690 HPIYQOPSBFBFJE-UHFFFAOYSA-N 339.273 2.833 30 40 EFEB Cc1cc(=NC(=O)N2CCc3c(Cl)cccc32)[nH]n1CCC#N 585079508 HOOLEKGCWCSYTD-UHFFFAOYSA-N 329.791 2.775 30 40 EFEB O=[N+]([O-])c1ccc(O)c(/C=N/n2c(S)nnc2-c2ccccc2)c1 344583 DEGJTLKSRJXTQL-CXUHLZMHSA-N 341.352 2.730 30 40 EFEB N#CCCN(C(=O)c1ccc(N)c([N+](=O)[O-])c1)c1ccc(F)cc1 78806093 NHCSOYDZWWIFIG-UHFFFAOYSA-N 328.303 2.877 30 40 EFEB N#Cc1ccc(S(=O)(=O)Nc2ccn(Cc3ccccc3)n2)cc1 55635789 GCZBLCRYROUXGR-UHFFFAOYSA-N 338.392 2.604 30 40 EFEB C=CCn1nnnc1SCC(=O)Nc1cccc(C(F)(F)F)c1 4176434 XROKTBFRMPEMBY-UHFFFAOYSA-N 343.334 2.609 30 40 EFEB Cc1sc(NC(=O)COC(=O)c2ccccc2N)c(C#N)c1C 6626110 CNJWKWQQDALCLB-UHFFFAOYSA-N 329.381 2.614 30 40 EFEB CCN(CC)S(=O)(=O)c1ccc(N/N=C/c2ccc(C)cc2)nc1 5167032 NJZJIOVSBMJHBW-XDHOZWIPSA-N 346.456 2.867 30 40 EFEB CN(C)CCN(Cc1cccc(C#N)c1)C(=O)Cc1cccc(F)c1 65931149 QLWMXMDRBFKNKM-UHFFFAOYSA-N 339.414 2.830 30 40 EFEB CCOc1ccc(/C=N/OCC(=O)Nc2ccc3c(c2)OCO3)cc1 5405716 ARWXJLJCYFYERH-VXLYETTFSA-N 342.351 2.803 30 40 EFEB C=CCN1C(=O)c2ccc(C(=O)Nc3cccc(C(C)=O)c3)cc2C1=O 5677890 OVCRHSPPDVDLMS-UHFFFAOYSA-N 348.358 2.924 30 40 EFEB C=CCN(Cc1ccc(C#N)cc1)[C@@H]1CCN(CC(F)(F)F)C1=O 71897038 KOLMAAYLFFFTDP-OAHLLOKOSA-N 337.345 2.709 30 40 EFEB COc1ccccc1[C@@H](C#N)NC(=O)c1ccc2c(c1)nc(C)n2C 68358167 QSBOQEUFIHTYAO-MRXNPFEDSA-N 334.379 2.885 30 40 EFEB C=CCO[C@@H](C)C(=O)Nc1cccc(NC(=O)[C@H](C)n2cccn2)c1 71831404 DZVZQVYUPBJFKU-KBPBESRZSA-N 342.399 2.612 30 40 EFEB N#Cc1cccnc1N1CCCN(CCOc2ccccc2F)CC1 71824884 QWPHNVYRQAZMBQ-UHFFFAOYSA-N 340.402 2.683 30 40 EFEB N#Cc1ccc(OCCN2CCN(c3ccccc3F)CC2)cc1 16474040 KZHIMTHMJSONJO-UHFFFAOYSA-N 325.387 2.898 30 40 EFEB CN(Cc1nc2ccccc2s1)S(=O)(=O)c1ccc(C#N)cc1 8058571 DZDICFRCAVXSTH-UHFFFAOYSA-N 343.433 2.989 30 40 EFEB N#Cc1ccc(/C(O)=N/S(=O)(=O)c2cccc3ncccc23)cc1 70039791 DMSRZXIZTOPLCU-UHFFFAOYSA-N 337.360 2.800 30 40 EFEB COc1ccc(C2=NOC(=O)/C2=N\Nc2ccc3ncccc3c2)cc1 18192597 CJWBOJBWSSULRI-PYCFMQQDSA-N 346.346 2.972 30 40 EFEB C[C@H]1CC[C@@H](C)N1CCN1CCN(Cc2cccc(C#N)c2)CC1 69982841 KTTXVZPKVBOCLW-HDICACEKSA-N 326.488 2.549 30 40 EFEB COc1cc(=O)n(CCOc2ccccc2C#N)cc1Br 97082654 UXBXACSMXUSNRK-UHFFFAOYSA-N 349.184 2.570 30 40 EFEB CC1(C)OB(c2cccc([S@@](=O)CC(F)(F)F)c2)OC1(C)C 514281034 KNYJTQMCRLEKHS-QFIPXVFZSA-N 334.168 2.656 30 40 EFEB Cc1ccncc1[C@H]1CCN(S(=O)(=O)Cc2ccc(C#N)cc2)C1 585140095 AYMJJXBNAFHAIL-KRWDZBQOSA-N 341.436 2.581 30 40 EFEB N#Cc1cccc(N2CC[C@@H](Oc3ccncc3Br)C2)n1 1776008874 QOMIYSLNNAASFA-GFCCVEGCSA-N 345.200 2.768 30 40 EFEB O/C(=N\c1nc(-c2ccccn2)n[nH]1)C1=NO[C@@H](c2ccccc2)C1 55280314 FEMKPFPTZPTAFB-CQSZACIVSA-N 334.339 2.972 30 40 EFEB N#Cc1ccc(OC(=O)C2CCN(c3ccc(C#N)cn3)CC2)cc1 25281954 KQVCBKWOUZMIOW-UHFFFAOYSA-N 332.363 2.647 30 40 EFEB CCOC(=O)c1cnc(S/C=C/C(=O)c2ccc(F)cc2)nc1N 174238 KEHFJAJVWGTKSO-BQYQJAHWSA-N 347.371 2.863 30 40 EFEB N#C[C@H](C(=O)Nc1ccccn1)C(=O)c1cc(-c2cccs2)on1 103717509 RKQDILMCQPLIIM-JTQLQIEISA-N 338.348 2.759 30 40 EFEB C=C(C)C#C[C@@](O)(C(=O)O[C@@H]1CN2CCC1CC2)C1CCCCC1 1640756 JMTZQKLHHPNCSG-QUCCMNQESA-N 331.456 2.515 30 40 EFEB N#CCC(=O)CC(=O)c1c(O)c2ccccc2n(-c2ccccc2)c1=O 104822269 MSFCGBSGRDZNFK-UHFFFAOYSA-N 346.342 2.752 30 40 EFEB C=CCOc1ccc(/C=C2/SC(N3CCOCC3)=NC2=O)cc1 2295056 XLRRVVKABWCRIT-NTCAYCPXSA-N 330.409 2.554 30 40 EFEB COCCn1c(C)cc(/C=N/n2c(C)nc3ccccc3c2=O)c1C 3307630 PZZWSHHAHMFTQP-UDWIEESQSA-N 338.411 2.652 30 40 EFEB COCc1ccccc1CNC(=O)COc1ccc(C#N)c(F)c1 66750541 XSDDNLDPCOFYDF-UHFFFAOYSA-N 328.343 2.539 30 40 EFEB COc1cc(/C=N/N2C(=O)C[C@@H]2c2ccccc2)cc(OC)c1O 71282784 VUNZPNGXWQFRPJ-HIPSJFSSSA-N 326.352 2.717 30 40 EFEB COc1ccc(OC)c([C@H]2NC(=O)C(O)=C2C(=O)c2cccs2)c1 4453196 VOZUQYDGWLHPNV-CQSZACIVSA-N 345.376 2.631 30 40 EFEB NC1=C(c2nc3ccccc3[nH]2)C(=O)CN1CCCc1ccccc1 7424986 GGIOTCHYPSDPEI-UHFFFAOYSA-N 332.407 2.708 30 40 EFEB CCCN(CC#N)S(=O)(=O)c1cc(C)ccc1Br 92368043 WTYRQNFGPUAGEJ-UHFFFAOYSA-N 331.235 2.682 30 40 EFEB CC/N=C(/NCc1ccon1)N[C@@H]1CCN(c2cccc(Cl)c2)C1 97021567 JRULZLXPRBUPNR-OAHLLOKOSA-N 347.850 2.662 30 40 EFEB C[C@@H](NC(=O)N1CC(Oc2ccc(C#N)cc2)C1)c1ccc(C#N)cc1 95943099 SIEUBQXKUIDHHZ-CQSZACIVSA-N 346.390 2.964 30 40 EFEB CC[S@](=O)[C@@H]1CCC[C@@H](NC(=O)N[C@@H](C)c2cccc(C#N)c2)C1 195535591 KDYGEGIQKDNWCJ-WVHUFDKJSA-N 347.484 2.998 30 40 EFEB N#CC1(NS(=O)(=O)Cc2ccc(Cl)cc2Br)CC1 194628569 MJCCODFBPDSUGG-UHFFFAOYSA-N 349.637 2.578 30 40 EFEB CCCCc1nc(OCC(=O)OC)c(C#N)c2c1COC(C)(C)C2 96114053 AXMUCGMGFPDASJ-UHFFFAOYSA-N 332.400 2.699 30 40 EFEB biogenic N#Cc1nc([C@@H]2C[C@H]2c2ccccc2)oc1N1CCC(C(N)=O)CC1 96346441 MLHWSXHQUIMNNS-LSDHHAIUSA-N 336.395 2.519 30 40 EFEB COc1cncc(S(=O)(=O)N(c2cccc(C#N)c2)C2CCC2)c1 585129565 NUMQNMBGLQHVAQ-UHFFFAOYSA-N 343.408 2.710 30 40 EFEB C=CCSc1nc(O)c2c(n1)NC(=O)C[C@H]2c1ccc(O)cc1 4944441 TWLVGQIUUSCGOB-NSHDSACASA-N 329.381 2.640 30 40 EFEB O=C1C=C/C(=N/Nc2ccc(S(=O)(=O)O)cc2)c2ccccc21 100797550 AQEVIUBZUSCVJX-SDXDJHTJSA-N 328.349 2.502 30 40 EFEB CCN(Cc1ccccc1[N+](=O)[O-])S(=O)(=O)c1cccc(C#N)c1 47608240 JHTUVWQRRQJXPH-UHFFFAOYSA-N 345.380 2.677 30 40 EFEB C[C@@](C#N)(NC(=O)COC(=O)/C=C/c1cccc2cccnc12)C1CC1 14812073 NUSGMZXWXJPORT-OSICKASQSA-N 349.390 2.600 30 40 EFEB N#Cc1ccc(OCC(=O)NC[C@H](O)c2ccc3ccccc3c2)cc1 71890790 VNNYRUPNCHFWIR-FQEVSTJZSA-N 346.386 2.940 30 40 EFEB CCc1nc(CCNC(=O)COc2ccc(C#N)cc2)sc1C 69618138 WPUCTFRTYNEJDY-UHFFFAOYSA-N 329.425 2.623 30 40 EFEB CC(C)c1nnc(/N=C(\O)c2c(O)c3c([nH]c2=O)CCCC3)s1 18096939 HZPFQDPQJJTZSC-UHFFFAOYSA-N 334.401 2.571 30 40 EFEB CN(CC#N)C(=O)c1ccc(Br)cc1Br 92285502 HTPNXEFQCUMRCM-UHFFFAOYSA-N 331.995 2.807 30 40 EFEB Cc1cc(N[C@@H]2CCCCNC2=O)n2c(nc3ccccc32)c1C#N 84109978 FLSPVQKRAJNMTI-OAHLLOKOSA-N 333.395 2.748 30 40 EFEB CC(C)(C)[C@H](C#N)NC(=O)c1ccc(I)cc1 75094355 JCRICBJOEGGGBU-NSHDSACASA-N 342.180 2.959 30 40 EFEB Cc1ccc(-n2cccc2C=NN2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)cc1 409407702 NTSLLIZEJBXMAL-STEAMIEHSA-N 345.402 2.927 30 40 EFEB CC1(C)[C@H]2CN(C(=O)NC3CCN(c4ccc(C#N)cc4)CC3)C[C@H]21 73913661 FYCNNABXHGNQDV-HDICACEKSA-N 338.455 2.824 30 40 EFEB CC(C)NC(=O)Cn1c(C#N)cc(N)c1Cc1cccc(Cl)c1 225857660 JFPZRCSHYGFINU-UHFFFAOYSA-N 330.819 2.711 30 40 EFEB CC(C)N(C)C(=O)C1CCN(CCCC2(C#N)CCOCC2)CC1 330031926 GAYFWLDOIHBDRB-UHFFFAOYSA-N 335.492 2.666 30 40 EFEB Cc1noc([C@@H]2CN(Cc3ccc(F)c(C#N)c3Cl)CCN2C)n1 583617376 CXAJHDBFEADDPB-AWEZNQCLSA-N 349.797 2.531 30 40 EFEB C[C@]1(C#N)CCN(C(=O)c2csc(=Nc3cc(F)cc(F)c3)[nH]2)C1 598420616 QSQFDZPNQLETQC-MRXNPFEDSA-N 348.378 2.963 30 40 EFEB O=[N+]([O-])c1ccc(O)c(/C=N/c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1 102106980 SCCKEUGASSESQB-VGOFMYFVSA-N 332.228 2.867 30 40 EFEB N#C[C@H](C(=O)COc1ccc2ccccc2c1)C(=O)Nc1ccccn1 104055662 QQIXKDQVIYXYJO-QGZVFWFLSA-N 345.358 2.961 30 40 EFEB Cc1nn(CCC#N)c(C)c1CCC(=O)N[C@H](C)c1cccnc1 24050304 DUWBMQQEHFIHQM-CYBMUJFWSA-N 325.416 2.619 30 40 EFEB O=C(c1ccc(Br)cc1)[C@@H]1O[C@]12C(=O)Nc1ccccc12 1616784 UCKFKFBLVZYYNZ-HOCLYGCPSA-N 344.164 2.878 30 40 EFEB CN(CC(=O)NCCC#N)[C@H](c1ccccc1)c1ccc(F)cc1 58415403 PXJGUSROBRFDGI-LJQANCHMSA-N 325.387 2.877 30 40 EFEB C=CCN(c1ccccc1)S(=O)(=O)c1cnc2c(c1)c(C)nn2C 60332703 MHIHMCHVJZSPKX-UHFFFAOYSA-N 342.424 2.658 30 40 EFEB Cc1cccc(S(=O)(=O)/N=C(\O)[C@@H](C)OC[C@@H]2CCCCO2)c1 64099828 FELYNAMYSOYHKR-KGLIPLIRSA-N 341.429 2.614 30 40 EFEB CC[C@]1(c2ccc(Cl)cc2)NC(=O)N(C[C@@H](C#N)CCC#N)C1=O 24088527 SKBMRNJEDIBVHW-SJKOYZFVSA-N 344.802 2.941 30 40 EFEB COc1ccc(OC)c([C@H]2C3=C(C[C@@H](C)CC3=O)Nc3ncnn32)c1 22608051 ORNMVMUVYGUWTE-QGHHPUGFSA-N 340.383 2.563 30 40 EFEB C#CCOc1ccc(N(C)C(=O)c2ccc(-n3cncn3)c(C)c2)cc1 96426455 CDMVCYUDBBWUMS-UHFFFAOYSA-N 346.390 2.864 30 40 EFEB CCN1CCN(c2nc(SC)nc(-c3ccccc3)c2C#N)CC1 7995281 ASMTVHKICVUCFJ-UHFFFAOYSA-N 339.468 2.879 30 40 EFEB CCCCCCCCCCn1c(N(C)C)nc2c1c(=O)[nH]c(=O)n2C 8396628 GVOUCKQNEBPLQB-UHFFFAOYSA-N 349.479 2.630 30 40 EFEB Cc1ccsc1[C@H]1C2=C(CC(C)(C)CC2=O)Nc2nc(N)nn21 18199818 WAYKDHSBCKCQRJ-GFCCVEGCSA-N 329.429 2.888 30 40 EFEB CCN(Cc1cccs1)C(=O)CCc1c(C)[nH]c(=O)c(C#N)c1C 72274751 LQMIQKHKLDNPMF-UHFFFAOYSA-N 343.452 2.906 30 40 EFEB C[C@](C#N)(COc1ccc(F)c(F)c1)NC(=O)c1cncc(F)c1 97228162 DMRHYBROOQUHOQ-INIZCTEOSA-N 335.285 2.590 30 40 EFEB O=C(COc1ccc(/C=N/c2cccc(F)c2)cc1)N1CCOCC1 409246678 AFZQHZQMHUCUBW-FYJGNVAPSA-N 342.370 2.814 30 40 EFEB C=CC[C@]1(C(=O)OC)C(=O)C[C@H]2CC[C@@H]1N2Cc1ccc(F)cc1 72340214 GMCXELCFTKXPRM-JTDSTZFVSA-N 331.387 2.867 30 40 EFEB C#Cc1cccc(N(C)C(=O)c2cc(N3C[C@@H](C)O[C@H](C)C3)ccn2)c1 194585185 USZKRCIIHRMQOX-HZPDHXFCSA-N 349.434 2.953 30 40 EFEB CC(C)C[C@H](C)Oc1cc(C/N=C(/O)N2CCO[C@H](C#N)C2)ccn1 330724366 GTDWYAMRBBMXIM-GOEBONIOSA-N 346.431 2.533 30 40 EFEB N#Cc1cccc(CN2Cc3ccnn3C[C@H](COCC3CC3)C2)c1 96189100 QCPRNXDMIRCENW-LJQANCHMSA-N 336.439 2.813 30 40 EFEB C/C(=N\CC/N=C(\C)c1ccc(O)cc1O)c1ccc(O)cc1O 255187233 CDTDLKVNCNOIJU-AYKLPDECSA-N 328.368 2.827 30 40 EFEB CC(=O)Nc1ccc(S(=O)(=O)/N=C(\O)CSCC(C)C)cc1 48420246 NQAOHGNTZRXXSZ-UHFFFAOYSA-N 344.458 2.679 30 40 EFEB CC(C)(C)OC(=O)N[C@@H](/C(N)=N\O)c1ccccc1OC(F)(F)F 62152059 QPHDBLHAVOQTKO-SNVBAGLBSA-N 349.309 2.897 30 40 EFEB in-vitro CN(Cc1cccc(F)c1)C(=O)COC(=O)c1cccc(C#N)c1 22664223 MMVHUJXVSWVVRG-UHFFFAOYSA-N 326.327 2.513 30 40 EFEB CSc1nc(N)nc(SCC(=O)Nc2ccc(C)cc2)c1C#N 3169423 CGBKUIIZOYIPNJ-UHFFFAOYSA-N 345.453 2.692 30 40 EFEB C=CCOc1ccc([C@H]2CC(=O)Nc3nc(SC)[nH]c(=O)c32)cc1 4944404 BMSQYYPDKVHWGX-GFCCVEGCSA-N 343.408 2.531 30 40 EFEB COc1cc(/C=C2/Oc3cc(O)ccc3C2=O)cc([N+](=O)[O-])c1O 1788318 FYBJHNWSHGPXBI-MKMNVTDBSA-N 329.264 2.631 30 40 EFEB N#CCc1ccc(NC(=O)CNc2ccccc2C(=O)NC2CC2)cc1 10764663 HTLAAFRJSMIWQC-UHFFFAOYSA-N 348.406 2.695 30 40 EFEB C=CCN(Cc1ccccc1)C(=O)CNC(=O)c1ccccc1F 58344788 GKGCCEFBXVVIHG-UHFFFAOYSA-N 326.371 2.770 30 40 EFEB C[C@@H](Sc1nc(N)c(C#N)cc1C#N)c1cn(-c2ccccc2)nn1 84667509 KCBLJTPTUQAERI-LLVKDONJSA-N 347.407 2.841 30 40 EFEB Cc1ccc(C[C@@H](C)NS(=O)(=O)Cc2cccc(C#N)c2)s1 71915783 IUOJFPYHTQHQHE-GFCCVEGCSA-N 334.466 2.979 30 40 EFEB C=CCN(CCO)Cc1nc(-c2cc(Br)cs2)no1 69978989 KNLMNWBOYTXQCY-UHFFFAOYSA-N 344.234 2.541 30 40 EFEB Cn1c(-c2ccccc2)nnc1[C@@H](C#N)C(=O)Nc1ccccc1F 89741273 QGGUBEGWLFPINT-CYBMUJFWSA-N 335.342 2.867 30 40 EFEB CCc1ccc([C@H]2COCCN2C(=O)NCc2cccc(C#N)c2)o1 76018065 NNWOKCFNIDWYPU-QGZVFWFLSA-N 339.395 2.997 30 40 EFEB C[C@H]1CCCN(/C(N)=N/Cc2ccc(COC3CCOCC3)cc2)C1 130637212 OQTABCUYWRKOFY-INIZCTEOSA-N 345.487 2.929 30 40 EFEB CCCN(C)S(=O)(=O)/N=C(\O)CCCc1cc(F)ccc1F 96485695 KVUPSJOBCJQNHS-UHFFFAOYSA-N 334.388 2.831 30 40 EFEB C=CCNC(=S)Nc1nc(Cl)cc(N2CCCC[C@H]2C)n1 260723122 WXCFGIBNGGOSTO-SNVBAGLBSA-N 325.869 2.981 30 40 EFEB C=CCN(Cc1nc2c(cnn2C)c(=O)[nH]1)Cc1ccc(Cl)s1 54417777 LWJXKZJACRLBOI-UHFFFAOYSA-N 349.847 2.560 30 40 EFEB CCC(CC)C(=O)N1CCC(NCc2cc(C#N)n(C)c2C)CC1 58008967 HMSCPABCYUBUKA-UHFFFAOYSA-N 330.476 2.722 30 40 EFEB C=CCN(CCc1ccccc1)C(=O)c1ccnc(-n2cncn2)c1 58304568 WBSPTRVCBRVQMT-UHFFFAOYSA-N 333.395 2.533 30 40 EFEB C=CCn1c(S[C@@H]2CCOC2=O)nnc1-c1ccccc1OC 6077142 HSMYXEJZLNOHGQ-CYBMUJFWSA-N 331.397 2.547 30 40 EFEB C=CCNC(=S)N/N=C\c1ccc(-c2cc(C(=O)O)ccc2C)o1 4679560 CKIVTKRXKFBKNU-GRSHGNNSSA-N 343.408 2.937 30 40 EFEB CCCCN(Cc1cn2ccccc2c1C#N)[C@@H]1CCS(=O)(=O)C1 67399934 JKXKSYSVALBRQQ-MRXNPFEDSA-N 345.468 2.600 30 40 EFEB N#CC1(NC(=O)[C@H]2C[C@H]2c2cccc(F)c2)CCC2(CC1)OCCO2 69874482 SKPVTNUDIHQIMI-HOTGVXAUSA-N 344.386 2.625 30 40 EFEB C[C@@H](CN1CCN(C)CC1)Nc1cc(C#N)ccc1C(F)(F)F 97163576 WUGPJYNOYFGFQW-LBPRGKRZSA-N 326.366 2.625 30 40 EFEB N#Cc1cccc(C(=O)Nc2ccc(CCN3CCC(O)CC3)cc2)c1 75415251 UVDOSXNFKWVAMQ-UHFFFAOYSA-N 349.434 2.810 30 40 EFEB COc1ccc([C@H](C#N)C(=O)c2cc(OC)c3c(c2)OCO3)cc1 66089823 KJYNNLFVAYHMAZ-AWEZNQCLSA-N 325.320 2.923 30 40 EFEB N#CCCN(CC(F)(F)F)S(=O)(=O)c1cccc2ncccc12 195580460 ZYOMRBDOZYSGSD-UHFFFAOYSA-N 343.330 2.701 30 40 EFEB C=CCNC(=O)c1cccc(S(=O)(=O)N(C)c2cccc(C)c2)c1 224128444 JZHNETRSWIXDCN-UHFFFAOYSA-N 344.436 2.736 30 40 EFEB N#Cc1cccc(N[C@@H]2CO[C@]3(CCCN(Cc4cccnc4)C3)C2)n1 96048317 WXLMDHRJKZPTAJ-AZUAARDMSA-N 349.438 2.584 30 40 EFEB C#C[C@](C)(CC)NC(=O)[C@@H]1CCCC[C@H]1C(=O)OCC(F)(F)F 248230599 AHVXFPCEJRLQSW-LALPHHSUSA-N 333.350 2.816 30 40 EFEB C[C@@H]1Oc2c(/C(O)=N/S(=O)(=O)c3cccnc3)cccc2[C@H]1C 75797345 VKQOYHNROQYOSC-QWRGUYRKSA-N 332.381 2.660 30 40 EFEB COCc1ccccc1C(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1 74673374 NAPMSSCZYKLEQW-IBGZPJMESA-N 349.434 2.683 30 40 EFEB COC(=O)[C@@H]1CCC[C@@H]1C(=O)N(Cc1ccc(C#N)cc1)C(C)C 97233596 BZOYUMWBOVCFLJ-DLBZAZTESA-N 328.412 2.885 30 40 EFEB Cc1cc(B2OC(C)(C)C(C)(C)O2)cn(Cc2ccccc2)c1=O 206186012 LOCJZSHSDQTBSB-UHFFFAOYSA-N 325.217 2.504 30 40 EFEB N#Cc1ccsc1NC(=O)[C@@H]1CC(=O)N(Cc2ccccc2)C1 13008905 PYJOYKLUBQMIHN-CQSZACIVSA-N 325.393 2.607 30 40 EFEB COc1ccc(/C=N/Nc2ccccc2[N+](=O)[O-])c(C(=O)O)c1OC 3896812 IUJGIOGBSXCEKO-RQZCQDPDSA-N 345.311 2.756 30 40 EFEB C=CCN1C(=O)/C(=C\c2cc([N+](=O)[O-])ccc2OC)SC1=S 974917 LFKUWSVNIBJVBW-XYOKQWHBSA-N 336.394 2.991 30 40 EFEB COc1ccccc1NC(=O)C1CCN(c2ccc(C#N)cn2)CC1 23990245 RDNDYINVSSEKRQ-UHFFFAOYSA-N 336.395 2.817 30 40 EFEB C[N+]1(Cc2ccccc2)[C@@H]2CC[C@@H]1C(=O)N(Cc1ccccc1)C2=O 1721818 DMDDSFBWTOPMGN-RTBURBONSA-N 335.427 2.733 30 40 EFEB COc1cc(C=C2C(=O)c3ccccc3C2=O)cc([N+](=O)[O-])c1O 6339104 KAZFNDHWLVDZSM-UHFFFAOYSA-N 325.276 2.772 30 40 EFEB C=CCc1cc(CN2CCC[C@@H](C(=O)OCC)C2)c(O)c(OC)c1 89983570 USRVBOORSOXSOP-OAHLLOKOSA-N 333.428 2.904 30 40 EFEB C=CCn1c(CC)nnc1SCC(=O)c1cccc([N+](=O)[O-])c1 9328424 PUNWYUNSMKOZMY-UHFFFAOYSA-N 332.385 2.910 30 40 EFEB C[C@@H](Nc1ccc2c(c1)OCCO2)C(=O)Nc1sccc1C#N 28906810 YRLRYLFZWMDZDF-SNVBAGLBSA-N 329.381 2.830 30 40 EFEB C=C1[C@@H]2C[C@H](O)[C@H]3[C@](CC[C@@H]4[C@]3(C)CCC[C@@]4(C)C(=O)O)(C2)[C@H]1O 100145216 VRVOLALMVUEAHP-CGXPQHGTSA-N 334.456 2.982 30 40 EFEB COc1ccc(CN[C@@H]2CCN(C(=O)C(C)C)C[C@H]2C)cc1C#N 76057814 KLHNURCMVSGFFT-RHSMWYFYSA-N 329.444 2.549 30 40 EFEB COc1ccc([C@@H](C#N)NC(=O)Cc2cc(F)ccc2F)c(OC)c1 95403514 YVOCGZYPKDBKGX-MRXNPFEDSA-N 346.333 2.906 30 40 EFEB Cc1ccccc1OCC(=O)N1CCN([C@@H](C#N)c2ccccc2)CC1 14183569 ITSWOUFEWCNILG-IBGZPJMESA-N 349.434 2.783 30 40 EFEB O=[N+]([O-])c1ccc2c(c1)/C(=N/NC(=S)NC1CCCCC1)C(O)=N2 6566476 YGOKCGVEYBBCKD-UHFFFAOYSA-N 347.400 2.697 30 40 EFEB CN(Cc1nc2ccccc2s1)S(=O)(=O)c1ccccc1C#N 8058573 TUDGYACRNQLFQW-UHFFFAOYSA-N 343.433 2.989 30 40 EFEB Cc1cc(C)n(C[C@H]2CN(Cc3cn4ccccc4c3C#N)CCO2)n1 69368583 OCHLBLHDNHYASK-GOSISDBHSA-N 349.438 2.525 30 40 EFEB COc1cc(CC(=O)N[C@@](C)(C#N)CC(C)C)cc(OC)c1OC 69434394 GXNNWROYIIFKRR-GOSISDBHSA-N 334.416 2.699 30 40 EFEB C#CCN(Cc1ccc(C)cc1)C(=O)C(=O)c1cc(F)ccc1OC 69586557 WVUVEWAJJIFCAY-UHFFFAOYSA-N 339.366 2.987 30 40 EFEB N#Cc1cc(C(=O)N[C@@H]2CCN(c3ccc(C(F)(F)F)cc3)C2)c[nH]1 97037693 GEEWTIUOEKSFRP-CYBMUJFWSA-N 348.328 2.914 30 40 EFEB Cc1ccc(CCC(=O)Nc2ccc(-n3cc(C#N)c(N)n3)cc2)o1 95405840 RQFVVQHUEOJIPP-UHFFFAOYSA-N 335.367 2.799 30 40 EFEB C=CCN(CC=C)C(=O)c1ccc(Br)cc1-n1cncn1 193123969 SBYZCOOAHFBRQJ-UHFFFAOYSA-N 347.216 2.844 30 40 EFEB CN(Cc1ncnn1C)C(=O)Nc1ccccc1C#Cc1ccccc1 96446061 DJSQASWRVMCLLP-UHFFFAOYSA-N 345.406 2.879 30 40 EFEB N#Cc1ccc(NCC(=O)N2CCC(c3ccc(F)cn3)CC2)cc1 600840299 FAWMYNAFAZCDKL-UHFFFAOYSA-N 338.386 2.910 30 40 EFEB CNC(=O)c1ccc(Cl)c(NCC(=O)Nc2cccc(C#N)c2)c1 69594044 CYPGBTKLHOFSHZ-UHFFFAOYSA-N 342.786 2.622 30 40 EFEB N#C[C@H]1[C@H]2CCC3(C[C@H]2CCN1C(=O)c1ccccc1)OCCO3 5808688 ZRESZLJDPVQHDJ-IKGGRYGDSA-N 326.396 2.584 30 40 EFEB COc1ccc([C@@H]2C[C@@]3(C)CC(=O)[C@H]2C(C#N)(C#N)C3(C#N)C#N)cc1 100102709 QBQVXYQRBNNTGT-SZMVWBNQSA-N 344.374 2.845 30 40 EFEB