smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features C[C@H]1CN(c2ccccc2Cl)C(=O)CN1C(=O)c1ccc(C#N)nc1 82139319 RUAGMRNGJVWQRH-LBPRGKRZSA-N 354.797 2.484 30 50 FEEA Cc1cccc([C@H](C(=O)N2CCN(c3ccc(C#N)cn3)CC2)N(C)C)c1 95370232 DYPWHACJOQWPEN-HXUWFJFHSA-N 363.465 2.213 30 50 FEEA N#Cc1cccc(C(=O)N[C@H]2CCOC[C@@H]2Oc2ccc(CO)cc2)c1 1565513794 YVIMNWBNADXSFS-OALUTQOASA-N 352.390 2.017 30 50 FEEA N#Cc1cccc([C@@H]2C[C@H]2C(=O)NS(=O)(=O)Cc2ccccc2C#N)c1 170650449 RVVZWFHKWXTEDV-ZWKOTPCHSA-N 365.414 2.180 30 50 FEEA Cc1ccc(C(=O)O/N=C(/NCc2ccccc2)c2nonc2N)cc1 5413587 RFURUFFJNAKPJM-UHFFFAOYSA-N 351.366 2.269 30 50 FEEA Cc1nc(CN2C[C@@H](F)C[C@H]2CN(C)C(=O)c2cc(C#N)c[nH]2)cs1 328603136 DZRYPJOOMVDZCN-ZFWWWQNUSA-N 361.446 2.336 30 50 FEEA C#CCCC1(CCC(=O)NCCOc2ccc(C(=O)O)cc2OC)N=N1 2325900689 FYHJHPILCLVOIH-UHFFFAOYSA-N 359.382 2.244 30 50 FEEA Cc1nc(C[C@@H]2CCCN(/C(O)=N/Cc3cn4ccsc4n3)C2)no1 329184765 OJQTZICRTWISSJ-LBPRGKRZSA-N 360.443 2.456 30 50 FEEA C=CCOc1ccccc1CN1CC[C@@H]2[C@@H](CCC(=O)N2CCCN)C1 72406753 FGARWJDFZASHGJ-PKOBYXMFSA-N 357.498 2.413 30 50 FEEA N#Cc1ccc(CN2CC[C@@H](NC(=O)c3ccc(F)c(C#N)c3)C2=O)cc1 376060536 YANAQPIYWVDDDP-GOSISDBHSA-N 362.364 2.100 30 50 FEEA C=CCN1CC[C@@]2(CCC1=O)CN(c1nc(C)cc(C)c1C#N)CCN2C 91663759 CCHXBGAMGSIAGE-NRFANRHFSA-N 367.497 2.259 30 50 FEEA Cn1cc(C#N)cc1C(=O)N1CC[C@@H](Oc2cccnc2N2CCCC2)C1 328631668 RGGUHKHPNGQVNP-MRXNPFEDSA-N 365.437 2.185 30 50 FEEA C#CCCC1(CCNC(=O)CCN2CCN(c3ccccc3)CC2)N=N1 2325890997 KZQLTLFPMKPUBI-UHFFFAOYSA-N 353.470 2.281 30 50 FEEA C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)c1cnc(C(C)(C)C)s1 332435140 YDBGCTBJHWNWBU-GFCCVEGCSA-N 370.482 2.453 30 50 FEEA O=C(c1ccccc1)N1[C@H](/C(O)=N/CCn2ncnn2)C[C@@H]2CCCC[C@@H]21 329926635 KWEOSIHSPZMRIX-ULQDDVLXSA-N 368.441 2.103 30 50 FEEA CC[C@]1(CNS(=O)(=O)c2cncc(C#N)c2)OCCc2ccccc21 290165058 OZAMVIPCHZVGHP-GOSISDBHSA-N 357.435 2.110 30 50 FEEA CC(C)(C)N1C(=O)NC(=O)/C(=N\Nc2ccc(Br)cc2)C1=O 5563143 JUGITFCMJHKLQM-VCHYOVAHSA-N 367.203 2.094 30 50 FEEA COc1cc(OC)cc(N2CC(=O)C(c3nc4ccccc4[nH]3)=C2N)c1 6700603 JRRMDNVTWNUJAX-UHFFFAOYSA-N 350.378 2.297 30 50 FEEA C/C(O)=N/[C@@]1(c2noc(C)n2)CCN(c2snc(Cl)c2C#N)C1 328608459 ALPSFKJYDJVCKK-ZDUSSCGKSA-N 352.807 2.442 30 50 FEEA Cn1c(Cn2ccnc2)nnc1[C@H]1CCCN(Cc2ccc(C#N)cc2)C1 91574371 CSQOFNRLOMXMNX-SFHVURJKSA-N 361.453 2.311 30 50 FEEA CCOc1cc(/C=N/NC(N)=S)ccc1OC(=O)c1ccc(OC)cc1 979659 PVOAAQCKBOFJBE-RGVLZGJSSA-N 373.434 2.480 30 50 FEEA Cc1ccc([C@H]2CSCCN2Cc2cc(O)n3ncc(C#N)c3n2)o1 2325771687 GGGBIXCLEGWGOY-CQSZACIVSA-N 355.423 2.498 30 50 FEEA CC(F)(F)Cn1cc(C#N)c(=NC(=O)N[C@H]2CCN(c3ccccc3)C2)[nH]1 2325782017 NZFXEFRUEXNVOL-AWEZNQCLSA-N 374.395 2.232 30 50 FEEA C#CCCC1(CCC(=O)N2CC(COCc3ccccc3)(C(=O)O)C2)N=N1 2325900164 NMLWXTZPWXBOOM-UHFFFAOYSA-N 369.421 2.472 30 50 FEEA CC1(C)CC(=O)C2=C(C1)NC(=O)C[C@H]2C(=O)Nc1ccc([N+](=O)[O-])cc1 9012293 UWXVGZVIOSIZCA-GFCCVEGCSA-N 357.366 2.313 30 50 FEEA Cc1c([C@H]2OCC[C@@H]2/N=C(/O)CN2Cc3ccccc3C2=O)cnn1C 330247976 FXAZIUDQJJXPTC-FUHWJXTLSA-N 354.410 2.171 30 50 FEEA Cc1cc(N/C(O)=N/[C@@H](c2nc(C(C)C)no2)C2CCOCC2)nn1C 328632486 RYPVGHGGEDGDBE-CQSZACIVSA-N 362.434 2.729 30 50 FEEA C=CC[N@@+]12[C@H]3C[C@]45c6ccccc6N(C)[C@H]4[C@@H]1C[C@@H]([C@@H]3[C@@H]5O)[C@@H](CC)[C@H]2O 252441238 LSVIWPNZJIGKRQ-PCVFUSSRSA-N 367.513 2.255 30 50 FEEA COC(=O)c1ccccc1NC(=O)CSc1[nH]c(=O)cc(C)c1C#N 13571098 YJJSOODVIIATMR-UHFFFAOYSA-N 357.391 2.072 30 50 FEEA C=C[C@@H](O)C(=O)N1CCC(c2nccc(-c3ccccc3OC)n2)CC1 952892183 FHPBJEGATWEDJT-QGZVFWFLSA-N 353.422 2.405 30 50 FEEA COCCN1C(=O)C(O)=C(C(=O)c2ccco2)[C@@H]1c1cccc([N+](=O)[O-])c1 6786401 GHWPCUALSLWALE-HNNXBMFYSA-N 372.333 2.413 30 50 FEEA Cc1cc(B2OC(C)(C)C(C)(C)O2)cc(S(=O)(=O)NC(C)(C)C)c1 170005454 JNUYJBWIVXTLAP-UHFFFAOYSA-N 353.293 2.371 30 50 FEEA COC(=O)c1cc(C#N)c(N2CCN(c3ncccc3C)CC2)nc1C 77406003 UBQXWBIHSDVTLN-UHFFFAOYSA-N 351.410 2.078 30 50 FEEA CC1(C)OB(c2cnc3c(c2)c(C=O)nn3[C@@H]2CCCCO2)OC1(C)C 169976574 SGECEHYWAFINCS-HNNXBMFYSA-N 357.219 2.242 30 50 FEEA CC(=O)c1c(C)oc(NC(=O)Cn2cnc3ccccc3c2=O)c1C#N 2867169 YESVWUSWKGMCNZ-UHFFFAOYSA-N 350.334 2.011 30 50 FEEA N#Cc1ccccc1N1CCN(C(=O)c2ccc(Cl)cc2O)CC1=O 82147963 NQCWEJPIYWKLLV-UHFFFAOYSA-N 355.781 2.406 30 50 FEEA Cc1ccc(O[C@H](C)C(=O)N2CCOC[C@H]2C#N)c(Br)c1 173124837 LKRHNYHKTGTWCM-VXGBXAGGSA-N 353.216 2.276 30 50 FEEA CC(C)(O)C#Cc1ccc(CN2CCC[C@H](CS(C)(=O)=O)C2)s1 824864179 LISXLJUYMQYDMV-AWEZNQCLSA-N 355.525 2.127 30 50 FEEA CC(C)(O)C#Cc1ccc(CN2CCN(C(=O)c3ccc[nH]3)CC2)s1 828172164 DNCNIKPIOPBWNG-UHFFFAOYSA-N 357.479 2.157 30 50 FEEA COc1cnc2ccccc2c1C(=O)NCc1ccc(C(=O)NO)cc1 819551992 MTVCXCDDMNSPBK-UHFFFAOYSA-N 351.362 2.292 30 50 FEEA C=CCC(=O)N1CCc2nc(CC)nc(NCC[C@H]3CCOC3)c2CC1 72438089 GLXSNLCMBNZCJD-HNNXBMFYSA-N 358.486 2.381 30 50 FEEA CC(=O)N1CCC[C@@H](C(=O)NCCc2c(C)[nH]c3ccc(C#N)cc23)C1 91664522 OCAFXNNDAJBQEE-MRXNPFEDSA-N 352.438 2.265 30 50 FEEA CCN(C(=O)CC1=C(c2ccccc2)CCC1=O)[C@@H]1CCS(=O)(=O)C1 91426409 KERPFRBFIARWOQ-OAHLLOKOSA-N 361.463 2.229 30 50 FEEA CN(C)S(=O)(=O)N(CC#N)Cc1ccc(Br)cc1Cl 289466907 WPPWPNXTYWVMMN-UHFFFAOYSA-N 366.668 2.234 30 50 FEEA N#Cc1ccc(N2CC[C@H](N3C[C@@H]4CN5CCCC[C@@H]5[C@H]4C3)C2=O)cc1 252549665 RPEDYSZQWSRKQG-FFGOWVMKSA-N 350.466 2.080 30 50 FEEA CN1C[C@@]2(CCCN(CCCC(=O)Nc3ccc(C#N)cc3)C2)OC1=O 244787980 QHGJGFSTWWOVEQ-LJQANCHMSA-N 356.426 2.194 30 50 FEEA CC(=O)Nc1ccc(/C=N/N=C/c2cn(O)c3ccccc3[n+]2=O)cc1 367628678 UJZSXJKIHSNUQA-RGVLZGJSSA-O 350.358 2.205 30 50 FEEA Cc1cc(F)cc2c(N3C[C@@H](CO)[C@H](c4cnn(C)c4)C3)c(C#N)cnc12 277512504 BTNWVRYXYPWVIG-YJBOKZPZSA-N 365.412 2.500 30 50 FEEA COC(=O)N1CCC2(CCC(N3CCn4nc(C#N)cc4C3)CC2)CC1 67446934 RYQGDMGJOWYNEV-UHFFFAOYSA-N 357.458 2.362 30 50 FEEA COCc1nc([C@H]2CN(c3nc(C)cc(C)c3C#N)C[C@@H]2C2CC2)n[nH]1 952851063 SHHWLWYJMSEFEY-CVEARBPZSA-N 352.442 2.465 30 50 FEEA C#CCCC1(CCC(=O)N2CCC(c3nnc4ccc(C)nn34)CC2)N=N1 2325899934 FHEYSSIIFZMSBE-UHFFFAOYSA-N 365.441 2.494 30 50 FEEA C=C(C)CN1CCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3oc2=O)CC1 54178075 QRZCPSFXMJGKOA-UHFFFAOYSA-N 357.366 2.035 30 50 FEEA O=[N+]([O-])c1ccc(O)c(/C=N/[C@@H]2CCO[C@@H](OCc3ccccc3)[C@H]2O)c1 34133078 ZMSXHIFFAZWZHY-SKFDYIBWSA-N 372.377 2.412 30 50 FEEA CN1CCN(Cc2ccccc2C#N)C[C@@]12CCC(=O)N(CC1CC1)CC2 91807199 CIMATBLYXSXDEH-QFIPXVFZSA-N 366.509 2.467 30 50 FEEA CN(C)[C@H](C(=O)N1CCN(c2ncccc2C#N)CC1)c1cccc(F)c1 91604615 HBHBSTDXRDACFX-SFHVURJKSA-N 367.428 2.044 30 50 FEEA N#Cc1cc(C[C@H]2CCN(C(=O)[C@H]3CCCc4nn[nH]c43)C2)ccc1F 1875312895 JKYHCKMFYLCKIU-HIFRSBDPSA-N 353.401 2.327 30 50 FEEA C[C@@H]1c2ccccc2O[C@H]1C(=O)NS(=O)(=O)Cc1ccc(C#N)cc1 170630743 QDUGYXJQNQIJBV-SJKOYZFVSA-N 356.403 2.069 30 50 FEEA COc1cc(/C=N/N2C(=O)c3ccccc3C2=O)c([N+](=O)[O-])cc1OC 705245 CNHZVOIXPJPJEY-GIJQJNRQSA-N 355.306 2.242 30 50 FEEA COc1cc(N2CCN(/C(O)=N/[C@@H]3C(O)=NCC[C@@H]3C)CC2)ccc1F 328760645 XPULWYHQUOSWME-LRDDRELGSA-N 364.421 2.235 30 50 FEEA N#Cc1cnn2ccc(-c3cc(N4CCOCC4)ccc3[N+](=O)[O-])nc12 4052539 QILCPVWZWZOWMM-UHFFFAOYSA-N 350.338 2.013 30 50 FEEA COc1ccc(CN2CCN(c3cccc(C#N)n3)C[C@@H]2CCO)cc1C 72432317 LRNLSJDPXYIZPT-IBGZPJMESA-N 366.465 2.344 30 50 FEEA CSCCCN1C[C@H]2CN(Cc3ccc(C#N)cc3)C[C@@]2(C(=O)O)C1 215199945 ACDWNPSXXXVFNP-HKUYNNGSSA-N 359.495 2.130 30 50 FEEA C[C@H]1c2ccccc2O[C@H]1C(=O)NS(=O)(=O)Cc1ccc(C#N)cc1 170630745 QDUGYXJQNQIJBV-YVEFUNNKSA-N 356.403 2.069 30 50 FEEA C#CCCC1(CCNC(=O)CCN2C(=O)[C@@H](C)Oc3ccccc32)N=N1 2325891222 YUJCAVCCBZVNAD-CQSZACIVSA-N 354.410 2.272 30 50 FEEA N#Cc1cccc([C@@H]2CN(C(=O)NC3CCC(C(=O)O)CC3)CCO2)c1 262944459 ADFQONHQJAPTAG-PREGVCBESA-N 357.410 2.285 30 50 FEEA COc1ccc(-c2noc(CNC(=O)N3CCC[C@@H](C#N)C3)n2)cc1OC 426589210 ZZVNQILBKARBTK-LBPRGKRZSA-N 371.397 2.199 30 50 FEEA C=CC[C@]1(CO)CCCN(C(=O)C2(N3CCOCC3)CCCCC2)C1 91593395 WPFJDMCTXCZZFL-IBGZPJMESA-N 350.503 2.199 30 50 FEEA COc1ccc2c(c1)OC[C@H](CNC(=O)c1ccc(C#CC(C)(C)O)o1)C2 1506426677 IWQIRBPZMMKMGU-AWEZNQCLSA-N 369.417 2.392 30 50 FEEA CC(=O)N1C[C@@H](NC(=O)Cc2ccc(C#N)cc2)CC[C@@H]1C(F)(F)F 886038172 NZVVRCPFMLSNTO-LSDHHAIUSA-N 353.344 2.159 30 50 FEEA CC(=O)N1C[C@@H](NC(=O)Cc2ccc(C#N)cc2)CC[C@H]1C(F)(F)F 886038164 NZVVRCPFMLSNTO-GJZGRUSLSA-N 353.344 2.159 30 50 FEEA C=CCN(C(=O)c1cc2ccc(OC)cc2n1C)[C@H]1CCS(=O)(=O)C1 65417443 DGMBPTKRIWUOAM-AWEZNQCLSA-N 362.451 2.002 30 50 FEEA N#CC1(CCCN2C(=O)N[C@@]3(CCOc4ccccc43)C2=O)CCOCC1 280961606 KCYBWNUQECNXIC-HXUWFJFHSA-N 369.421 2.317 30 50 FEEA COc1ccc(/C=N/N2C(=O)[C@@H]3[C@H]4C=C[C@@H]([C@@H]5C[C@@H]45)[C@H]3C2=O)cc1OC 239235689 WMVSNTSUKSHDGJ-MCKLEBTQSA-N 352.390 2.091 30 50 FEEA CCCC[C@@H]1C(=O)N(C)CCN1C(=O)c1cccc(C#CC(C)(C)O)c1 1506421258 FVCWBCOYOQISKY-GOSISDBHSA-N 356.466 2.282 30 50 FEEA C#CCCC1(CCC(=O)N=C2CCN3NC(c4ccccc4)=NC3=N2)N=N1 2325891738 AVAIGEDESIYJCP-UHFFFAOYSA-N 361.409 2.294 30 50 FEEA C#CCCC1(CCC(=O)Nc2ccc(N3CCN(C)CC3)nc2C)N=N1 2325892804 GDAFVUYGPYJPRI-UHFFFAOYSA-N 354.458 2.436 30 50 FEEA C=CCNC(=O)N1CCC[C@H](CNC(=O)c2cc(OC)cc(OC)c2)C1 12590425 KFPGTFPQTWXPCF-CQSZACIVSA-N 361.442 2.041 30 50 FEEA N#Cc1ccc(S(=O)(=O)N[C@H]2CCOC[C@@H]2OCC2CC2)c(Cl)c1 1565508883 MBCIZSFMTFTEAQ-GJZGRUSLSA-N 370.858 2.074 30 50 FEEA CCOC(=O)[C@@H](CCOC)NC(=O)CCSc1ccc(C#N)cc1 225601281 DYLALYVBHKADLJ-OAHLLOKOSA-N 350.440 2.125 30 50 FEEA COCCN1CC[C@@H](N/C(O)=N/Cc2cc(Br)cs2)C1 330838386 MFKQJZGHXGXOGG-LLVKDONJSA-N 362.293 2.235 30 50 FEEA O=C1c2ccccc2C(=O)N1OS(=O)(=O)c1cccc2cccnc12 2840308 GFQQETMUVAVWFA-UHFFFAOYSA-N 354.343 2.151 30 50 FEEA COc1ccccc1[C@H](C/N=C(/O)N1CC[C@@](F)(CO)C1)N1CCCC1 328721527 WWOJMYLXSLFTSY-LPHOPBHVSA-N 365.449 2.152 30 50 FEEA Cc1ccc(C#N)c(N2CCCn3nc(CCC(=O)NC4CC4)cc3C2)n1 82166198 SEMPGYZFHLDKRR-UHFFFAOYSA-N 364.453 2.080 30 50 FEEA CC(=O)C1=C(C)N=C(O)[C@]1(NC(=O)c1cccc([N+](=O)[O-])c1)C(F)(F)F 5078198 ZMEGMOBIXORLJA-AWEZNQCLSA-N 371.271 2.459 30 50 FEEA O/C(=N/Cc1cscn1)N1CCO[C@H](c2ccnc(N3CCCC3)n2)C1 328616628 BWSWWFZKBDUOFR-HNNXBMFYSA-N 374.470 2.021 30 50 FEEA COc1ccc([C@H]2C3=C(CCCC3=O)Nc3ncnn32)c(OC)c1OC 4716064 JYOIESCRKHJHJE-HNNXBMFYSA-N 356.382 2.326 30 50 FEEA O=C(c1cnn2c1C[C@@H](C/N=C(/O)c1cccnc1)CC2)N1CCCC1 328602288 AWLPBANYYIFQKA-AWEZNQCLSA-N 353.426 2.081 30 50 FEEA CN(C[C@@H]1CCc2nc(C(F)(F)F)cn2C1)C(=O)C1(C#N)CCOCC1 328621253 HPWVEZVLPCEMKT-LBPRGKRZSA-N 370.375 2.243 30 50 FEEA N#Cc1ccc(O[C@@H]2COCC[C@H]2NC(=O)c2cccc3nccnc23)cc1 219495785 OBAIBTKVGMXNQW-IEBWSBKVSA-N 374.400 2.468 30 50 FEEA COCC(=O)N1CCC[C@H](C(=O)N(CC#Cc2ccccc2)CC(C)C)C1 55166612 KBUPSVMXDJTMRK-FQEVSTJZSA-N 370.493 2.408 30 50 FEEA N#Cc1cccc(S(=O)(=O)N2CCC3(CCC(=O)N(C4CC4)C3)CC2)c1 91745421 ZOZUJTAQOQIUDV-UHFFFAOYSA-N 373.478 2.114 30 50 FEEA C=CCn1c(SCC(N)=O)nnc1-c1cc(Br)ccc1O 13125463 DDSJJZCWNQBUJC-UHFFFAOYSA-N 369.244 2.177 30 50 FEEA N/C(=N\c1nc(-c2ccccc2)cc(=O)[nH]1)Nc1ccc2c(c1)OCCO2 4654391 JEBZCLIHDXMYDF-UHFFFAOYSA-N 363.377 2.266 30 50 FEEA OC1=NCCN1C1CCN(/C(O)=N/CCc2cccc(F)c2F)CC1 329456613 QIFHKWRQZHUPEN-UHFFFAOYSA-N 352.385 2.115 30 50 FEEA C=CCNC(=O)c1coc(CN2CCN(C/C=C/c3ccccc3)CC2)n1 91595651 UCMVQSCIFGVXRU-RMKNXTFCSA-N 366.465 2.421 30 50 FEEA CC1(C)OB(c2ccc(N3C(=O)[C@@H]4[C@@H](C3=O)[C@H]3C=C[C@H]4C3)cc2)OC1(C)C 169979857 RMWHXARBVKENMV-PYTWLRIVSA-N 365.238 2.297 30 50 FEEA N#Cc1cccnc1N1CCC(N[C@@H]2CCC(=O)N(CC3CC3)CC2)CC1 67871753 ZNKFECHPNNWTAM-GOSISDBHSA-N 367.497 2.303 30 50 FEEA C=CCNC(=O)N1C[C@H]2[C@@H](C1)OC(=O)N2CCCc1ccc(OC)cc1 15079327 QBTPVRNYSYBKCR-DLBZAZTESA-N 359.426 2.028 30 50 FEEA CCOc1ccccc1CN1CCN(c2cccc(C#N)n2)C[C@@H]1CCO 72475852 FQLFVOZUJRVQLZ-IBGZPJMESA-N 366.465 2.425 30 50 FEEA COc1cccc(CN2CCN(c3nc(C)ccc3C#N)C[C@H]2CCO)c1 72457588 NBFLEEPYMMXUSK-LJQANCHMSA-N 366.465 2.344 30 50 FEEA C=CCN1C[C@H](C(=O)NCc2c[nH]nc2-c2ccc(Cl)cc2)CC1=O 820474790 GFJPAFPTKHAAIQ-CYBMUJFWSA-N 358.829 2.381 30 50 FEEA C=CCC(C)(C)CN1C[C@@H]2[C@H](CNC(=O)c3cnc[nH]3)[C@H]3CC[C@]2(C1)O3 1857711111 HTVUXQDKQCNBRG-DKYLXPRQSA-N 358.486 2.221 30 50 FEEA Cc1nc(CN(C)[C@@H]2CCCN(/C(O)=N/CCn3cccc3)CC2)no1 328625164 CVEFRNZPGLJOCL-MRXNPFEDSA-N 360.462 2.080 30 50 FEEA C=CCN1CC2(CCC1=O)CCN(C(=O)CCn1ccnc1CC)CC2 91444838 VYKOXQAERWBFBE-UHFFFAOYSA-N 358.486 2.253 30 50 FEEA C=CCC(O)(CC=C)CNS(=O)(=O)c1cc2nc(O)[nH]c2cc1Cl 670437806 GEGKHIGPFUWQPR-UHFFFAOYSA-N 371.846 2.084 30 50 FEEA CNC(=O)c1ccc([C@H]2CCCCN2CC(O)=Nc2cc(C)no2)n1C 328622067 AZCRIEFUJFJBPS-CQSZACIVSA-N 359.430 2.496 30 50 FEEA C#Cc1cccc(NC(=O)CNC(=O)[C@](C)(O)CCc2ccccc2)c1 242284614 YIDKLKNIIAMLEE-OAQYLSRUSA-N 350.418 2.106 30 50 FEEA Cc1nn(CCC#N)c(C)c1CCC(=O)N1CCO[C@H](COCC2CC2)C1 170600905 AMDHSMPMTBTCBE-SFHVURJKSA-N 374.485 2.000 30 50 FEEA Cc1nc(C)c(CC(=O)N2CC(=O)N(c3ccccc3C#N)C[C@H]2C)s1 82091168 FQAIKJIAPJFRDS-GFCCVEGCSA-N 368.462 2.438 30 50 FEEA Cc1c(C#N)cccc1C(=O)N[C@H]1C[C@@H](NC(=O)[C@@H]2CCCO[C@H]2C)C1 1875407099 SOCZQCWOXKWVBB-KMANFZQXSA-N 355.438 2.059 30 50 FEEA N#Cc1ccc(N2CCN(C(=O)N[C@@H]3CCC[C@@H]4OCC[C@H]43)CC2)c(F)c1 247301464 HWJJCLXPUISDPW-WDYCEAGBSA-N 372.444 2.487 30 50 FEEA C=CCNC(=O)C[C@@H]1C(=O)NCCN1Cc1ccc(-c2ccccc2)cc1 12002701 VCFLPFLJUGPROC-HXUWFJFHSA-N 363.461 2.346 30 50 FEEA CS(=O)(=O)Nc1cccc(-n2ccnc2-c2cc(C#CCO)cs2)c1 72411160 DUWVNEXMHYXZAM-UHFFFAOYSA-N 373.459 2.316 30 50 FEEA CN(C)CCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@H]1c1ccncc1 19884324 UNZDTJNIIQYUEC-QGZVFWFLSA-N 351.406 2.222 30 50 FEEA COC(C)(C)C(=O)[C@@H](CC#CCN1CCOCC1)C(=O)c1ccccc1 105437763 OBQCKBXSBCUYOQ-SFHVURJKSA-N 357.450 2.205 30 50 FEEA CC(C)c1csc([C@H](C#N)C(=O)CN2C(=O)[C@@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)n1 242183953 XDEBAFAETIDQNL-YYFFNPIBSA-N 369.446 2.250 30 50 FEEA CCc1nc(C)c(C(=O)N[C@@H]2COCC[C@H]2Oc2ccc(C#N)cc2)o1 222433125 HEDUQFFNWXNWFI-HZPDHXFCSA-N 355.394 2.383 30 50 FEEA CCNc1ncc(CN2CC(=O)N(c3ccccc3C#N)C[C@@H]2C)cn1 82148336 ACGUVXJEKAKYKE-AWEZNQCLSA-N 350.426 2.017 30 50 FEEA N#Cc1ccc(-c2cccc(C(=O)NCCCN3CCOCC3)c2)cn1 426503320 ONONLPLUDNKURI-UHFFFAOYSA-N 350.422 2.072 30 50 FEEA Cc1ccccc1Cn1c(NC(=O)Cn2cnc(C#N)n2)nc2ccccc21 181908746 CUZSZEVAPGEUES-UHFFFAOYSA-N 371.404 2.495 30 50 FEEA C=CCC(O)(CC=C)[C@H](C)NC(=O)c1nccnc1C(=O)N1CCCCC1 670455416 IZPZLZOUPWVOGH-HNNXBMFYSA-N 372.469 2.104 30 50 FEEA C=CCNC(=O)[C@@H]1CCCN(S(=O)(=O)Cc2ccc(Cl)cc2)C1 19860663 VOHFCMVNNMMLCY-CQSZACIVSA-N 356.875 2.184 30 50 FEEA C=C(C)COc1ccc(CN2CCC3(CC2)NCCNC3=O)cc1OCC 67605947 SYGQBVCNFFFDJK-UHFFFAOYSA-N 373.497 2.094 30 50 FEEA C[C@@H]1CCCC[C@@H]1OCC(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N 252511556 HYNDDHUWTOIQJI-UGUYLWEFSA-N 365.474 2.457 30 50 FEEA CCOCCN1CCN(C(=O)c2ccc(-c3cccc(C#N)n3)cc2)CC1 426536235 FOKWJRMRSIZCGH-UHFFFAOYSA-N 364.449 2.415 30 50 FEEA O=[S@+]1(O)C[C@H]2NC(=S)N(c3ccc(Br)cc3F)[C@@H]2C1 334158072 NCGLRVPAERTNRL-PSASIEDQSA-P 366.257 2.006 30 50 FEEA N#Cc1ccccc1-c1ccc(C(=O)N2C[C@@H](CO)[C@H](CCO)C2)cc1 1875308622 OUZNICPVYXGEES-MOPGFXCFSA-N 350.418 2.288 30 50 FEEA CC1=C(C(=O)NC2C[C@@H]3CN(c4snc(C)c4C#N)C[C@H]3C2)CCO1 1875406123 XPJSXICFPOAFIJ-CHWSQXEVSA-N 358.467 2.349 30 50 FEEA CC(C)(O)C#Cc1ccc(C(=O)NCC[C@H]2COc3ccccc3O2)o1 65371711 FBPFAVRETLTLBB-HNNXBMFYSA-N 355.390 2.362 30 50 FEEA S=C(N/N=C1/CCCc2cccnc21)N1CCN(c2ccccn2)CC1 114475331 UTDAKQMBNSHJJB-JWGURIENSA-N 366.494 2.214 30 50 FEEA in-vitro CC1(CCC(=O)N2C[C@@H]3CCC[C@H](N=c4ccc(C#N)n[nH]4)[C@H]3C2)CC1 1875408494 XZQSFNVKXOAATM-XIRDDKMYSA-N 353.470 2.389 30 50 FEEA OC[C@H](O)/C=N/Nc1nc(Nc2ccccc2)nc(Nc2ccccc2)n1 4181422 ZVIWROLUXGGDNS-SKCQWOFPSA-N 365.397 2.110 30 50 FEEA CN(C[C@@H](O)c1cccc(C#N)c1)C[C@]1(O)[C@@H]2[C@@H]3[C@@H]4C[C@H]5[C@H]3C[C@H]2[C@@H]5[C@H]41 2325755212 JYJRQSDRGYGIFK-OHKSHDSPSA-N 350.462 2.032 30 50 FEEA C[C@@H]1c2ccccc2O[C@@H]1C(=O)NS(=O)(=O)Cc1ccc(C#N)cc1 170630739 QDUGYXJQNQIJBV-PXAZEXFGSA-N 356.403 2.069 30 50 FEEA N#C[C@H]1CN(C(=O)C2CCN(Cc3ccccc3)CC2)CCN1C1CC1 377666179 CZMHXQXLTHALBP-FQEVSTJZSA-N 352.482 2.097 30 50 FEEA C[C@@H](CN1CCN(c2ccccc2)CC1)N=c1nc(C#N)[nH]cc1Cl 2325868402 YORDIOPXRABQTD-AWEZNQCLSA-N 356.861 2.046 30 50 FEEA C=CCN1C(=O)[C@@](O)(CC(=O)c2ccc3c(c2)OCCO3)c2ccccc21 1120830 ICLIZICBOGSMJW-OAQYLSRUSA-N 365.385 2.451 30 50 FEEA O=C1C(Cl)=C(N2CCOCC2)C(=O)C(Cl)(Cl)C1(Cl)Cl 3095678 WPYPHHOIDPOCSE-UHFFFAOYSA-N 367.443 2.269 30 50 FEEA N#Cc1cccnc1N1CCC(N[C@H]2CCC(=O)N(CC3CC3)CC2)CC1 67871756 ZNKFECHPNNWTAM-SFHVURJKSA-N 367.497 2.303 30 50 FEEA N#Cc1cccc([C@H]2C[C@H]2C(=O)NS(=O)(=O)Cc2ccccc2C#N)c1 170650445 RVVZWFHKWXTEDV-QZTJIDSGSA-N 365.414 2.180 30 50 FEEA C=C1C(C)(C)[C@@H]2CC[C@@]1(C(=O)N1CCC(Cn3cc(CO)nn3)CC1)C2 43619410 HHTWFZZLDFZYCN-OXQOHEQNSA-N 358.486 2.392 30 50 FEEA CCOc1ccc2nc(N3C[C@@H](C(=O)N4CC(C#N)C4)CC3=O)sc2c1 1857728480 CTYRCAIQZJUXJD-LBPRGKRZSA-N 370.434 2.030 30 50 FEEA N#Cc1ccc(CN2CCC(NC[C@H](CO)c3cccnc3)CC2)cc1 367560800 AYSIPIRABNAOCH-HXUWFJFHSA-N 350.466 2.283 30 50 FEEA COc1nccc(N2CCN(Cc3ccc(C)cc3)[C@@H](CCO)C2)c1C#N 72410522 MQPZKZZMKLERSS-SFHVURJKSA-N 366.465 2.344 30 50 FEEA COC[C@@]12CC[C@@H](N3CCOCC3)C[C@H]1CCN(c1cc(C#N)ccn1)C2 95361541 HBLLFCJBJIGXBP-SBHAEUEKSA-N 370.497 2.297 30 50 FEEA NC(=O)CN1CCC[C@H](C(=O)N(CC#Cc2ccccc2)C2CCCC2)C1 952978560 QXXJYVFWGPUBIM-IBGZPJMESA-N 367.493 2.007 30 50 FEEA CC(C)(O)C#Cc1ccc(C(=O)NCc2csc(N3CCCC3)n2)o1 1506418508 IGLUTZYQJVDJHQ-UHFFFAOYSA-N 359.451 2.389 30 50 FEEA CN1CCc2ccc(N=C(O)C[C@@H]3CCCS(=O)(=O)C3)cc2C1=O 328906400 BLUIXSTXZLBIML-LBPRGKRZSA-N 350.440 2.118 30 50 FEEA Cc1ccncc1N=C(O)N1CCC[C@@H](N(C)Cc2nccc(N)n2)CC1 328649870 VHNLTSQDICIDEA-OAHLLOKOSA-N 369.473 2.294 30 50 FEEA CC(=O)ON1C(=O)[C@@H]2[C@H](C1=O)[C@@]1(Cl)C[C@@]2(Cl)C(Cl)=C1Cl 216190631 FLPKKKZBPUAXKH-PQTTXJEBSA-N 358.992 2.127 30 50 FEEA O=[N+]([O-])c1ccc(O)c(/C=N/[C@@H]2CCO[C@@H](OCc3ccccc3)[C@@H]2O)c1 34133074 ZMSXHIFFAZWZHY-OLOLFZHESA-N 372.377 2.412 30 50 FEEA C=CCN(C)C(=O)[C@H]1[C@@H]2C=C[C@@]3(CN(Cc4ccc(C)c(C)c4)C(=O)[C@H]13)O2 77423809 SOPFNTKEHBCJOT-OZIGNCPNSA-N 366.461 2.230 30 50 FEEA CN(C)c1ccc(C(=O)N2CCCN(Cc3ccccc3C#N)CC2)cn1 1529172398 GNGVUDJUGIPVJC-UHFFFAOYSA-N 363.465 2.367 30 50 FEEA CC(C)(O)C#Cc1cccc(C(=O)N[C@H]2COC[C@H]2Cc2ccncc2)c1 1704303125 JQHQGKBYKWIIBP-UXHICEINSA-N 364.445 2.192 30 50 FEEA CCC[C@@H](C#N)N(C)C(=O)c1cccc(S(=O)(=O)N(CC)CC)c1 328589927 SVHDBDINMMTSPF-HNNXBMFYSA-N 351.472 2.481 30 50 FEEA CN1C(=O)C[C@@H](CNc2snc(Cl)c2C#N)[C@@H]1c1cnn(C)c1 328609629 FIQIIUNTQXTDLI-QPUJVOFHSA-N 350.835 2.033 30 50 FEEA O=C(CC1=C(c2ccccc2)CCC1=O)NCc1cc2n(n1)CCCNC2 82146098 GMXSFTRSUYRIRN-UHFFFAOYSA-N 364.449 2.199 30 50 FEEA CC(C)[C@@H]1CN(C(=O)C2CCN(c3ccc(C#N)cn3)CC2)CCCO1 1875258992 MENHONIDPQPHSU-SFHVURJKSA-N 356.470 2.443 30 50 FEEA C[C@H](/N=C(/O)N1CCC[C@H](S(C)(=O)=O)C1)[C@H]1CCCN(C2CCC2)C1 329752303 WEPCUBGGRTXPGW-ZOBUZTSGSA-N 371.547 2.062 30 50 FEEA O=S(=O)(C[C@H]1CCCCO1)Nc1cnn(C/C(O)=N/C2CCCC2)c1 329446895 CSARHGXXGNCNAT-OAHLLOKOSA-N 370.475 2.093 30 50 FEEA O/C(=N/C1CCN(C[C@@H]2CCOC2)CC1)N1CCC[C@H](c2ncc[nH]2)C1 329678532 QJYXLBXLRRWLLR-HOTGVXAUSA-N 361.490 2.004 30 50 FEEA C=CCn1c(S)nnc1[C@H]1CCCN(S(=O)(=O)c2ccccc2)C1 17074975 VMYBEKGRMGFLOS-ZDUSSCGKSA-N 364.496 2.321 30 50 FEEA C=CCS(=O)(=O)N1C[C@@H](c2ccc(OC)cc2)[C@@H]2[C@H]1C1CCN2CC1 95354706 HJPTXEVDSFIJJA-IPMKNSEASA-N 362.495 2.073 30 50 FEEA O=C1Nc2ccc(I)cc2/C1=N/Nc1ccccn1 15018431 QVJBQZBYZFGHLZ-UHFFFAOYSA-N 364.146 2.455 30 50 FEEA CCOC(=O)C(C(=O)OCC)C1=C(Cl)C(=O)C(=O)c2ccccc21 1857781925 IJUJPLGVWBKREC-UHFFFAOYSA-N 350.754 2.144 30 50 FEEA CC(C)[C@H]1COCCN(C(=O)[C@@H]2CC(=O)N(c3ccc(C#N)cc3)C2)C1 2325784299 RBKXXIHQGHJPEK-IAGOWNOFSA-N 355.438 2.042 30 50 FEEA C[C@@H](CN=c1nc(C#N)[nH]cc1Cl)N1CCN(c2ccccc2)CC1 2325868108 PCANLOXSVGWIMQ-AWEZNQCLSA-N 356.861 2.046 30 50 FEEA C=CCN1C(=O)NC(=O)/C(=C\c2cc(Br)ccc2OC)C1=O 2994597 SMUQCRSSKPULHP-DHZHZOJOSA-N 365.183 2.106 30 50 FEEA C=CCn1c(CN2CCN(c3ncnc4[nH]cnc34)CC2)nc2ccccc21 67678486 DMMWLYVLIJBLTG-UHFFFAOYSA-N 374.452 2.211 30 50 FEEA CC(C)n1cnc(C(=O)N2CC[C@@H](C)[C@@H](CNc3cncc(C#N)n3)C2)c1 1875333859 OBQPUEALAHMXTB-CABCVRRESA-N 367.457 2.336 30 50 FEEA C[C@H]1CN(c2ccccc2C#N)C(=O)CN1C(=O)Cc1ccc(O)c(F)c1 77470737 YKTVUFIOABDSFZ-ZDUSSCGKSA-N 367.380 2.209 30 50 FEEA CCCn1cc(C(=O)N[C@@H]2COCC[C@H]2Oc2ccc(C#N)cc2)c(C)n1 222413144 NWUQPKMKZZANDM-RTBURBONSA-N 368.437 2.440 30 50 FEEA CC(C)Cc1cc(C(=O)N2CCN(Cc3cccc(C#N)c3)CC2)n(C)n1 91452526 KCCDFNUWLCIAHA-UHFFFAOYSA-N 365.481 2.448 30 50 FEEA CCC[C@H]1CN(C(=O)c2ccc(C#CC(C)(C)O)cc2)C[C@@H]1NC(C)=O 213163095 PPTNDHWHOSRZCH-OALUTQOASA-N 356.466 2.186 30 50 FEEA Cc1ccc(S(=O)(=O)N=C2NCN(c3ccc(Cl)cc3)CN2)cc1 704990 UTNGDTNMYRFWAO-UHFFFAOYSA-N 364.858 2.308 30 50 FEEA CN(C)CCn1ccnc1[C@@H]1CCCN(C(=O)c2cccc(C#N)c2)C1 95512175 XXESLZWKKUCJLB-GOSISDBHSA-N 351.454 2.336 30 50 FEEA Cc1cc(C)c(CNC(=O)N2CC[C@H](Oc3ccc(C#N)cn3)C2)c(O)n1 291687296 NUIMEDDAUCDIOE-HNNXBMFYSA-N 367.409 2.034 30 50 FEEA N#C[C@@H]1CN(S(=O)(=O)CC2CC(F)(F)C2)CCN1Cc1ccccc1 296558290 CHPYOZLQWFJULO-MRXNPFEDSA-N 369.437 2.071 30 50 FEEA Cc1ccc2c(c1)CC[C@@H]2NC(=O)C(=O)Nc1cc(C)n(CCC#N)n1 271094430 VYTBFMVHKIEUDH-INIZCTEOSA-N 351.410 2.156 30 50 FEEA C=C(C)CN(CC)C(=O)C[C@@H]1C(=O)NCCN1Cc1ccc(OC)c(C)c1 15064768 FAKFFYKLSUQLCA-GOSISDBHSA-N 373.497 2.119 30 50 FEEA COc1cc(C#N)ccc1OC[C@@H]1CCCN(C(=O)Cn2ccnc2)C1 2100482618 MAHOASDABPAIPO-MRXNPFEDSA-N 354.410 2.081 30 50 FEEA C#CCCC1(CCNC(=O)c2ccn(-c3ccc4c(c3)OCO4)n2)N=N1 2325900323 UFTAYZBCOUTRBN-UHFFFAOYSA-N 351.366 2.296 30 50 FEEA CC(=O)C1=C(O)C(=O)N(Cc2cccnc2)[C@@H]1c1cccc([N+](=O)[O-])c1 1165639 XQQMFZRVCCMBGG-MRXNPFEDSA-N 353.334 2.474 30 50 FEEA N#Cc1ccccc1C(=O)N1CC[C@@H](c2ccc3c(c2)OCO3)[C@H](O)C1 65496218 LQTROIFINBNDTE-DOTOQJQBSA-N 350.374 2.278 30 50 FEEA CN(C[C@H]1CCc2nc(C(F)(F)F)cn2C1)/C(O)=N/Cc1ccnn1C 328618132 DJWYXUDPKJNOAP-LLVKDONJSA-N 370.379 2.244 30 50 FEEA N#Cc1cccc(S(=O)(=O)N[C@@H]2CCOC[C@H]2OCc2ccccc2)c1 222528735 YUPMBYXKJCMHBV-RTBURBONSA-N 372.446 2.211 30 50 FEEA OCCC#Cc1ccc(CN2CC[C@@H](N3CCCCCC3)[C@H](O)C2)cc1 11754193 CFIGNDSCCQUQSD-FGZHOGPDSA-N 356.510 2.232 30 50 FEEA N#Cc1cc(I)c(O)c(I)c1 4262023 NRXQIUSYPAHGNM-UHFFFAOYSA-N 370.915 2.473 30 50 FEEA biogenic,in-vitro Cc1n[nH]cc1CN/C(O)=N/C[C@@H]1CCc2nc(C(F)(F)F)cn2C1 328615355 AUOGFLGMJNJMCA-JTQLQIEISA-N 356.352 2.200 30 50 FEEA N#Cc1ccc(N2CCN(Cc3cnc(N4CCCC4)s3)CC2)nc1 222291002 GFXJWMXUNWJYLB-UHFFFAOYSA-N 354.483 2.332 30 50 FEEA N#Cc1cccc(S(=O)(=O)N[C@@H]2COCC[C@@H]2OCc2ccccc2)c1 220506015 SNRBYOBOFKPZCA-MOPGFXCFSA-N 372.446 2.211 30 50 FEEA C=CCNC(=O)c1ccc(NC(=O)C(=O)Nc2cc(CCCC)n[nH]2)cc1 190969127 CWVLSHLIIHLDFB-UHFFFAOYSA-N 369.425 2.245 30 50 FEEA N#CC1(C(=O)N2CC[C@H]3[C@H](CCC(=O)N3CCc3ccccc3)C2)CC1 217007569 KXCPORLXGKHBDL-MSOLQXFVSA-N 351.450 2.372 30 50 FEEA COC(=O)[C@H](/C=N/Nc1ncc(C(F)(F)F)cc1Cl)n1cncn1 5742597 ZCUVHUBAGDNGDM-LXXMBGDFSA-N 362.699 2.157 30 50 FEEA O/N=C(Nc1ccc2c(c1)OCO2)\C(=N/O)Nc1ccc2c(c1)OCO2 13286034 PWKCZADFPFONHR-UHFFFAOYSA-N 358.310 2.243 30 50 FEEA CN(C)CCCN1C(=O)C(O)=C(C(=O)c2ccco2)[C@H]1c1cccnc1 19884727 OBPKEJISUCALMU-MRXNPFEDSA-N 355.394 2.205 30 50 FEEA O=C1N=C(O)/C(=N/Nc2ccc([N+](=O)[O-])cc2)C(=O)N1c1ccccc1 4477872 LPFYVOSSVGQYOQ-UYRXBGFRSA-N 353.294 2.486 30 50 FEEA N#Cc1ccc(Cl)c(C(=O)N[C@H]2CCOC[C@H]2Nc2ccncn2)c1 952889141 WCRZMGWNADBANV-LSDHHAIUSA-N 357.801 2.001 30 50 FEEA N#Cc1ncc(C(=O)N[C@H]2CCN(C(=O)[C@@H](F)c3ccccc3)C2)s1 2325871244 DHPBECKEVFSWFH-WFASDCNBSA-N 358.398 2.056 30 50 FEEA CC(=O)Nc1c(C#N)c2nc3ccccc3nc2n1CCCOC(C)=O 3311642 WELRESXJWQQYTP-UHFFFAOYSA-N 351.366 2.368 30 50 FEEA C[C@@H](C(=O)Nc1c(F)cc(C#N)cc1F)N1C(=O)c2ccccc2C1=O 225696609 BJLHPKRBDRWLKA-VIFPVBQESA-N 355.300 2.460 30 50 FEEA N#Cc1cc2c(nc1N1CCC[C@@]3(CCC(=O)N(CCO)C3)C1)CCCC2 77486696 LGTMFOGFRQFOFP-NRFANRHFSA-N 368.481 2.033 30 50 FEEA Cc1c([C@H]2[C@H](CNc3snc(Cl)c3C#N)CC(=O)N2C)cnn1C 328614456 WDLVYWNIRBUCOZ-TVQRCGJNSA-N 364.862 2.342 30 50 FEEA CN(C)C(=O)COC[C@H]1CN(c2c(Cl)cccc2C#N)CC(C)(C)O1 284427758 CVCMNCAYPNALNV-CQSZACIVSA-N 365.861 2.300 30 50 FEEA N#CCN(CC#N)C(=O)[C@@H]1CN(Cc2ccccc2)C[C@H]1C(F)(F)F 193039536 OFBXAVVGYWQXOL-HUUCEWRRSA-N 350.344 2.173 30 50 FEEA COc1cc(/C=N/n2c(S)nnc2-c2ccncc2)ccc1OC(C)=O 5458762 NZRRVFNBGGUVTK-VXLYETTFSA-N 369.406 2.445 30 50 FEEA Cc1noc(C[C@@]2(O)CCCN(Cc3cn4ccccc4c3C#N)C2)n1 886091679 IHHGKXCQGBHZFZ-IBGZPJMESA-N 351.410 2.072 30 50 FEEA C=CCn1nc(Cn2cccn2)nc1-c1nnn(Cc2ccccc2)c1C 1875340497 DYMCQGDVJVQJHP-UHFFFAOYSA-N 360.425 2.324 30 50 FEEA COc1cccc(F)c1/C(O)=N/C1CC(N(CC(=O)O)CC2CC2)C1 328655235 YEXYADBXYVPCAT-UHFFFAOYSA-N 350.390 2.467 30 50 FEEA CNC(=O)c1ccc([C@@H]2CCCCN2CC(O)=Nc2nncs2)n1C 328656473 ZITHAURVWHXCGZ-LBPRGKRZSA-N 362.459 2.051 30 50 FEEA CN(C[C@@H]1CCc2nc(C(F)(F)F)cn2C1)/C(O)=N/C[C@@H]1CCCO1 328621196 HNVAMJXOCCCKED-RYUDHWBXSA-N 360.380 2.489 30 50 FEEA CCOC(=O)N1CCN(c2ccc(B3OC(C)(C)C(C)(C)O3)cc2)CC1 170003032 LLOWLSGMXQECTE-UHFFFAOYSA-N 360.263 2.264 30 50 FEEA Cc1[nH]nc(NS(=O)(=O)c2cccc(Br)c2C#N)c1C#N 328594512 PPCGSRBVXPOBCQ-UHFFFAOYSA-N 366.200 2.025 30 50 FEEA C=CCCC[C@H]1NC(=O)[C@H](Cc2sccc2Br)NC1=O 2325770409 UAWNDKLZSQQJHJ-MNOVXSKESA-N 357.273 2.393 30 50 FEEA Cc1cccc(S(=O)(=O)N2CCN(c3ccccc3C#N)CC2)c1C#N 132888630 YKDGSSIZXJFIBA-UHFFFAOYSA-N 366.446 2.249 30 50 FEEA O=C1/C(=C\NN2CCOCC2)Nc2ccc(Br)c(Cl)c21 23549935 OEXGEVLFGHBNNM-JXMROGBWSA-N 358.623 2.389 30 50 FEEA CC(C)(O)C#Cc1ccc(C(=O)N2CCC(Oc3ncccn3)CC2)cc1 65403307 KFCCYSMVKKSVCF-UHFFFAOYSA-N 365.433 2.283 30 50 FEEA C=C(C)COc1ccccc1CN1CC[C@H]2[C@H](CCC(=O)N2CCN)C1 215026357 HFKHXUYJBWYAEQ-MJGOQNOKSA-N 357.498 2.413 30 50 FEEA COc1cc(C#N)ccc1OC[C@@H]1CCCN(C(=O)c2cccc(N)n2)C1 1857739118 DBUSJSMCSYLMKN-OAHLLOKOSA-N 366.421 2.475 30 50 FEEA O/C(=N/Cc1ccoc1)N1CCO[C@H](c2ccnc(N3CCCC3)n2)C1 328642769 YMDYSIJYDSPCQQ-INIZCTEOSA-N 357.414 2.157 30 50 FEEA N#Cc1cc2n(n1)CCN(C(=O)N[C@@H]1CCCN(Cc3cccs3)C1)C2 584884329 FEENLUXSHHDBAL-CQSZACIVSA-N 370.482 2.006 30 50 FEEA C[C@H]1CCCc2nc(S(=O)(=O)Nc3nn(C(C)(C)C)cc3C#N)cn21 333088920 ANPDIYBPTKBZBJ-NSHDSACASA-N 362.459 2.404 30 50 FEEA COC(=O)[C@@H]1CCN2C(=O)N(c3ccc(OC(C)C)c(C#N)c3)C(=O)[C@H]2C1 278203340 SFGSNABOHFRMLB-IUODEOHRSA-N 371.393 2.066 30 50 FEEA C=CCN(CC=C)[C@@H]1CCc2c(c(C(=O)N3CCOCC3)nn2CC=C)C1 14539227 HSDQMHRCRUWDTF-QGZVFWFLSA-N 370.497 2.073 30 50 FEEA N#Cc1ccc(N2CCC(C(=O)NC[C@@H]3C[C@H]4CCC[C@@H]4O3)CC2)nc1 1875269823 LPBZXPVCEZHMEQ-SQNIBIBYSA-N 354.454 2.243 30 50 FEEA Cc1c(C#N)cccc1C(=O)N[C@H]1C[C@@H](NC(=O)[C@H]2CCCO[C@@H]2C)C1 1875407098 SOCZQCWOXKWVBB-KBEGMRNHSA-N 355.438 2.059 30 50 FEEA O=C(O)CN(CC1CC1)C1CC(/N=C(/O)c2cccc3c2OCCO3)C1 328646948 SXTRVWOGWSINKO-UHFFFAOYSA-N 360.410 2.090 30 50 FEEA CCOc1cc(C=NN2C(=O)[C@@H]3[C@H]4C=C[C@@H]([C@@H]5C[C@@H]45)[C@H]3C2=O)ccc1O 245227078 YTDUBYPQQWZWGR-MCKLEBTQSA-N 352.390 2.178 30 50 FEEA Fc1ccccc1/C=N/N=C(c1ccccc1)C12CN3CN(CN(C3)C1)C2 252320783 RKPUBPLCYHNYHM-DKMUQWEUSA-N 363.440 2.455 30 50 FEEA COc1ccc([C@@H]2C[C@H]2C(=O)NS(=O)(=O)Cc2ccccc2C#N)cc1 170617028 SIOFJTNPQPNODW-ZWKOTPCHSA-N 370.430 2.317 30 50 FEEA C=CCn1nc(C(=O)N2CCCC2)c2c1CC[C@H](NCCCOCC)C2 14537072 NCRRNCGVKBHLPQ-INIZCTEOSA-N 360.502 2.179 30 50 FEEA Cc1nc(C#N)cc(=NC[C@@H]2CC(C)(C)CC[C@@H]2NC(=O)[C@@H]2C[C@H]2C)[nH]1 1875408027 MRAJFIXHYKLHKP-UOJCXKCYSA-N 355.486 2.458 30 50 FEEA C=CCNC(=O)COc1ccc(S(=O)(=O)N[C@@H](C)c2ccccc2)cc1 2838584 WYJDAMBXUNVNOG-HNNXBMFYSA-N 374.462 2.407 30 50 FEEA CC(C)OCC/N=C(/O)N(C)C[C@@H]1CCCN(C)[C@H]1c1cnn(C)c1 328617643 CYMRFJLQLYWFRS-DOTOQJQBSA-N 351.495 2.074 30 50 FEEA Cc1nnc([C@]23CCC[C@H]2CN(C(=O)c2ccccc2OCC#N)C3)o1 952851724 TYOBVRDWWCOOTJ-LIRRHRJNSA-N 352.394 2.474 30 50 FEEA Cc1cc(N2CCN(c3nccnc3C#N)CC2)nc(-c2ccccc2)n1 65382073 WJPXUKGKGGXWRE-UHFFFAOYSA-N 357.421 2.440 30 50 FEEA CC(C)(C#N)c1ccccc1CN1C[C@H](F)C[C@H]1C(=O)N1CCOCC1 299744433 OULVOTCKUUOKRE-AEFFLSMTSA-N 359.445 2.259 30 50 FEEA COc1ccc([C@H]2C[C@@H]2C(=O)NS(=O)(=O)Cc2ccccc2C#N)cc1 170617026 SIOFJTNPQPNODW-MSOLQXFVSA-N 370.430 2.317 30 50 FEEA C[C@H](/N=C(/O)N1CCC[C@H](S(C)(=O)=O)C1)[C@@H]1CCCN(C2CCC2)C1 329752302 WEPCUBGGRTXPGW-UXLLHSPISA-N 371.547 2.062 30 50 FEEA N#Cc1cnc2ccccc2c1N1CCCN(C(=O)[C@@H]2CCCO2)CC1 361828948 HXLAJHWUMIYWIO-SFHVURJKSA-N 350.422 2.324 30 50 FEEA CCn1c(CN(C)C)nnc1C1CCN(C(=O)c2cccc(C#N)c2)CC1 77472267 ZNFZSDJIERASCF-UHFFFAOYSA-N 366.469 2.251 30 50 FEEA N#Cc1ccc(NC(=O)CCCN2CCC[C@@H](N3CCCC3=O)C2)cc1 71762552 YOEWVAAWGPVUQF-GOSISDBHSA-N 354.454 2.364 30 50 FEEA C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)c1ccc(Cl)cc1F 160956388 WXUPLCQGDHOKLG-LLVKDONJSA-N 359.792 2.492 30 50 FEEA C[C@]12[C@H]3C=C[C@@H]([C@@H]1[C@@]14CCCC[C@@]12O4)n1c(=O)n(-c2ccccc2)c(=O)n13 257356452 ICMDFULXSWOZPR-VIMRIIAXSA-N 363.417 2.184 30 50 FEEA Cc1nnc2n1C[C@@H](CNC(=O)CC1=C(c3ccccc3)CCC1=O)C2 1772813683 OJTRXZVGWPBYQP-CQSZACIVSA-N 350.422 2.082 30 50 FEEA C#CCCC1(CCC(=O)NCCN=c2ccc(-c3ccccc3)n[nH]2)N=N1 2325892204 DVBMUBJCHBKFPK-UHFFFAOYSA-N 362.437 2.449 30 50 FEEA CCCn1cc(C(=O)N[C@@H]2CCOC[C@H]2Oc2ccc(C#N)cc2)c(C)n1 219393836 IWHLYRUHFCOIBE-RTBURBONSA-N 368.437 2.440 30 50 FEEA CN1CCO[C@@H]2CCN(/C(O)=N/Cc3cccnc3OC3CCCC3)C[C@@H]21 328886150 OSTVJNXUNVAVPY-ZWKOTPCHSA-N 374.485 2.222 30 50 FEEA N#Cc1cccc(CS(=O)(=O)Cc2nc(O)cc(C(F)(F)F)n2)c1 155974867 WPXCDUCRSSQQPY-UHFFFAOYSA-N 357.313 2.188 30 50 FEEA CC(=O)Nc1cccc(/C(C)=N/O[C@H]2CCCN(c3ccn(C)n3)C2=O)c1 170642604 DFHRFZBGESZYFZ-KOWBDXASSA-N 369.425 2.315 30 50 FEEA C=CCN1C[C@@H](C(=O)NCc2cccnc2Oc2ccc(C)nc2)CC1=O 11937834 BOVPJHWIEHEUQU-INIZCTEOSA-N 366.421 2.228 30 50 FEEA C[C@@H]1O[C@H](C)[C@H](C(=O)N[C@@H]2C[C@@H](N=c3ccc(C#N)c[nH]3)C2(C)C)[C@H]1C 1875405315 COGIHWODIIYVNW-ZFVZXUGKSA-N 356.470 2.130 30 50 FEEA C=CC(=O)N1CCC[C@H](C(=O)N2CCC(Oc3ccc(C#N)cc3)CC2)C1 2325889360 MBBAGMSYFKGNFH-KRWDZBQOSA-N 367.449 2.353 30 50 FEEA COc1ccc(/C=N/N2C(=O)[C@H]3[C@H]4C=C[C@@H]([C@H]5C[C@H]54)[C@H]3C2=O)c(OC)c1 245226644 HCKZNPLHWXTKAE-PISIDXIOSA-N 352.390 2.091 30 50 FEEA COc1ccc(C(=O)O/N=C(\N)c2ccc(OC)c(OC)c2)cc1OC 4171321 CJNDABQZASUREJ-UHFFFAOYSA-N 360.366 2.198 30 50 FEEA biogenic Cc1nn(Cc2cccc(Cl)c2)cc1C(=O)N[C@@H]1CCCN(O)C1=O 1875266958 HXRAFBLAVUYCSI-OAHLLOKOSA-N 362.817 2.003 30 50 FEEA CCOC(=O)[C@H](CCOC)NC(=O)CCSc1ccc(C#N)cc1 225601252 DYLALYVBHKADLJ-HNNXBMFYSA-N 350.440 2.125 30 50 FEEA CC(=C1C(=O)c2ccccc2C1=O)N1CCN(C(=O)c2ccco2)CC1 2378332 HUSJNAOKHXGHDC-UHFFFAOYSA-N 350.374 2.391 30 50 FEEA N#Cc1ccc(C(=O)N2CCO[C@@H](c3ccnc(N4CCCC4)n3)C2)cc1 328620324 GXHALIKRNOFILE-GOSISDBHSA-N 363.421 2.162 30 50 FEEA Cc1nc(CN2C[C@@H](F)C[C@H]2C/N=C(/O)Nc2cnn(C)c2)cs1 328624237 CHTGVPOVEQVKLM-FZMZJTMJSA-N 352.439 2.124 30 50 FEEA COc1cc(/C=N\Nc2ncc(F)c(N3CCCC3)n2)cc2c1OCO2 226095057 JKSBOHDHKKQQJW-ZBKNUEDVSA-N 359.361 2.399 30 50 FEEA Cc1cc(C#N)c(N2CCC3(CCC(=O)N(CCN(C)C)C3)CC2)nc1C 91519244 CGLGJEBJGGTUOG-UHFFFAOYSA-N 369.513 2.341 30 50 FEEA Cc1noc(C)c1CN1C(=O)[C@@H]2CC[C@H]1CN(c1cc(C#N)ccn1)C2 216957029 BDLUYICZXIIHJA-CVEARBPZSA-N 351.410 2.186 30 50 FEEA C#CC(C)(C)C(=O)N[C@@H]1CCN(C(=O)c2cncc(NCC)c2)C[C@@H]1C 2325825059 BIYKMTMSLRSXAI-WMLDXEAASA-N 356.470 2.140 30 50 FEEA C#CCOc1ccc([C@H]2NC(=O)NC(C)=C2C(=O)OCC)cc1OCC 4808962 FUAPVYKOQIAAJG-QGZVFWFLSA-N 358.394 2.288 30 50 FEEA COc1ccc([C@@H]2c3c(-c4ccccc4)nc(N)n3NC(=O)[C@H]2C#N)cc1 409417352 DYXUCRNHNCKTGL-HOTGVXAUSA-N 359.389 2.496 30 50 FEEA CN(C[C@@H]1CCc2nc(C(F)(F)F)cn2C1)/C(O)=N/Cc1cnn(C)c1 328623704 JICLCNVPQQLQNQ-NSHDSACASA-N 370.379 2.244 30 50 FEEA COc1cccc([C@@H]2C[C@@H]2C(=O)NS(=O)(=O)c2cccc(F)c2C#N)c1 160031727 VAEJZPWGQVHWAO-KBPBESRZSA-N 374.393 2.315 30 50 FEEA N#Cc1ccc(N2CCN(C(=O)[C@@H]3CCOc4ccccc4C3)CC2)nc1 97732901 AFTDRDNUVHISGK-GOSISDBHSA-N 362.433 2.243 30 50 FEEA CN1C[C@]2(CCCN(CCCC(=O)Nc3ccc(C#N)cc3)C2)OC1=O 244787979 QHGJGFSTWWOVEQ-IBGZPJMESA-N 356.426 2.194 30 50 FEEA C=CCNC(=O)COc1ccc(S(=O)(=O)NCc2ccccc2)cc1C 4857439 KGDVJQWAGAVDIM-UHFFFAOYSA-N 374.462 2.155 30 50 FEEA C=CCNC(=O)c1cc2c(=O)n3cccc(C)c3nc2n(CCCC)c1=N 100897734 CBOROZDTPQVAAA-UHFFFAOYSA-N 365.437 2.153 30 50 FEEA COCCCN1C[C@]2(CCCN(c3ccnc(OC)c3C#N)C2)CCC1=O 72439932 YTIMBSKDMDJTJJ-HXUWFJFHSA-N 372.469 2.207 30 50 FEEA C=CC[C@@]1(C(=O)O)CCCN(Cc2cnc(N3CCOCC3)s2)C1 91987102 CZMZERDYYFRZQN-QGZVFWFLSA-N 351.472 2.223 30 50 FEEA O=C(O)C/N=C(\NS(=O)(=O)c1ccc(Cl)cc1)c1ccccc1 2213742 OOJUGXUVNLRMBU-UHFFFAOYSA-N 352.799 2.150 30 50 FEEA COc1ccc(S(=O)(=O)N/N=C/c2cc3c(cc2Cl)OCO3)cc1 5094746 NPWWOSBAJPOSBM-CAOOACKPSA-N 368.798 2.390 30 50 FEEA CN(C[C@H]1CCCN1C)C(=O)N1CC[C@H](B2OC(C)(C)C(C)(C)O2)C1 1875366714 AEYJXZHCIQCQHF-LSDHHAIUSA-N 351.300 2.301 30 50 FEEA C=C(C)[C@@H]1CC=C(CN2CCn3nc(CNS(C)(=O)=O)cc3C2)CC1 426590035 UBCWBBFBTNDPQB-MRXNPFEDSA-N 364.515 2.051 30 50 FEEA C=CCN1C[C@@H](C(=O)Nc2ccc(C(=O)N3CCCC3)cc2C)CC1=O 952869379 JEVQYVLLPBYFDZ-INIZCTEOSA-N 355.438 2.204 30 50 FEEA CCn1cc([C@H]2OCC[C@@H]2CNC(=O)c2ncc(C#N)cc2Cl)cn1 1857531785 BPZDOQJQPSDGHV-WBMJQRKESA-N 359.817 2.331 30 50 FEEA C[C@H](/C(O)=N/[C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C)S(=O)(=O)C1CCOCC1 330104021 GRCGFSCBPJKLPS-BEAPCOKYSA-N 359.488 2.129 30 50 FEEA N#Cc1cccnc1N1CCN(C(=O)c2ccccc2-c2ncc[nH]2)CC1 97797503 GPYVSJYCYHYXJB-UHFFFAOYSA-N 358.405 2.306 30 50 FEEA CC(C)[C@@H](NC(=O)OC(C)(C)C)C(=O)ON1C(=O)c2ccccc2C1=O 1772783311 KMAZJIBPYYBTNT-CYBMUJFWSA-N 362.382 2.290 30 50 FEEA COc1ccc(C(=O)N2CCCN(C(=O)c3cc(C#N)c[nH]3)CC2)c(F)c1 1772703693 YWKWSCJTWUWQFQ-UHFFFAOYSA-N 370.384 2.022 30 50 FEEA N#Cc1cccc(C2(C(=O)N[C@@H]3C[C@@H](Cn4ccnc4)C[C@H]3O)CCC2)c1 1875403412 WFBNRCBLLWWDIB-BHIYHBOVSA-N 364.449 2.132 30 50 FEEA Cc1cc(C)n2nc(C/C(O)=N/Cc3c4c(nn3C)CCCC4)nc2n1 329620038 MLFCCFLORHIIDS-UHFFFAOYSA-N 353.430 2.053 30 50 FEEA Cc1cccn2c(CN[C@@H]3CCN(Cc4ccc(C#N)cc4)C3=O)cnc12 192244324 WVWCVVUDNWDVDM-LJQANCHMSA-N 359.433 2.405 30 50 FEEA C#C/C(=C\c1ccc(-c2ccc(F)cc2)o1)C(=O)N[C@@H]1CCS(=O)(=O)C1 1775953661 AUHXPFPBEPEGIE-SICOMBFOSA-N 373.405 2.406 30 50 FEEA Cc1ccc(S(=O)(=O)/N=C2/NC(=O)/C(=C/c3ccccn3)S2)cc1 5584111 RFHMHPPKCYAKTD-UVTDQMKNSA-N 359.432 2.339 30 50 FEEA C#CCCC1(CCC(=O)NCc2ncn(Cc3cccc(F)c3)n2)N=N1 2325886135 VZZVTFCWQGYUKA-UHFFFAOYSA-N 354.389 2.437 30 50 FEEA CC(C)ON(CC(=O)NO)S(=O)(=O)c1ccc(-c2ccccc2)cc1 3818628 PHGLPDURIUEELR-UHFFFAOYSA-N 364.423 2.190 30 50 FEEA in-vitro COc1ccc([C@H]2c3c(-c4ccccc4)nc(N)n3NC(=O)[C@@H]2C#N)cc1 409417353 DYXUCRNHNCKTGL-HZPDHXFCSA-N 359.389 2.496 30 50 FEEA Cc1nnsc1/C(O)=N/C[C@@H]1CCn2ncc(/C(O)=N/C(C)C)c2C1 328607526 WFECBTNHDDFTCB-LLVKDONJSA-N 362.459 2.323 30 50 FEEA COc1cccc2[nH]c3c(=O)n(N=Cc4cccc(O)c4)c(O)nc3c12 253532965 LKTLRQKCWJWGKT-UHFFFAOYSA-N 350.334 2.180 30 50 FEEA C=C(C)CN1CCN(C(=O)NCc2ccccc2CN2CCCC2=O)CC1 584900391 RYGAVLDTJZFYIT-UHFFFAOYSA-N 370.497 2.212 30 50 FEEA COc1cc(CN2CCN(C)[C@@H](c3nc(C4CC4)no3)C2)ccc1C#N 284945449 DSVRAMAIQQPBOQ-MRXNPFEDSA-N 353.426 2.316 30 50 FEEA COCCN1CC[C@H](CNC(=O)c2cccc(-c3ccc(C#N)nc3)c2)C1 426512310 RGEDZEDXYOPVFW-MRXNPFEDSA-N 364.449 2.318 30 50 FEEA CCOc1ccccc1N1CC(=O)C(c2nc3ccccc3c(=O)[nH]2)=C1N 9010063 BEAXNYQXJFAGCO-UHFFFAOYSA-N 362.389 2.038 30 50 FEEA CO[C@@H]1C[C@H](CNc2nc(C)c(C#N)cc2Cl)N(c2ccncn2)C1 952887532 RHRANWXOFHEDEU-ZIAGYGMSSA-N 358.833 2.411 30 50 FEEA CCN1CC[C@]2(CCC1=O)CN(c1nc(C)cc(C)c1C#N)CCN2C 95375882 HIVKRZMNHDLLMA-HXUWFJFHSA-N 355.486 2.093 30 50 FEEA N#Cc1ccc(C(=O)N[C@@H]2CC[C@@H]3CN(C(=O)C4(F)CCCC4)C[C@@H]32)[nH]1 1875407310 XCIQHHMYOHODNG-VHDGCEQUSA-N 358.417 2.135 30 50 FEEA C#CCN1C(=O)[C@@](O)(CC(=O)c2ccc([N+](=O)[O-])cc2)c2ccccc21 915184 NJUDMHGTDMDXHM-LJQANCHMSA-N 350.330 2.035 30 50 FEEA CN(C[C@@H]1CCCN(C)[C@H]1c1cnn(C)c1)/C(O)=N/C[C@@]1(C)CCCO1 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N#Cc1ccc(N2CCC(N3CCC[C@H](C(=O)N4CCCC4)C3)CC2)nc1 71767768 IXAIBNURZITPOJ-SFHVURJKSA-N 367.497 2.256 30 50 FEEA COc1ccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2CCO)cc1 13131112 XTDPAIHXFDXTKX-QGZVFWFLSA-N 353.374 2.266 30 50 FEEA C#CCN(Cc1ccc(OC)cc1)C(=O)c1cccc(NCC(=O)O)c1 63872467 QPUROOMVULATNJ-UHFFFAOYSA-N 352.390 2.467 30 50 FEEA COc1nccc(N2CCC(c3nccn3CCN(C)C)CC2)c1C#N 91441442 INRJZBKKTOOBCD-UHFFFAOYSA-N 354.458 2.104 30 50 FEEA C[C@H]1CN(Cc2csc(NC(=O)c3ccnc(C#N)c3)n2)C[C@H](C)O1 192842975 NBUHLFSJUBKZAG-RYUDHWBXSA-N 357.439 2.271 30 50 FEEA N/C(=N\OC(=O)CCCC(=O)O)c1ncc(C(F)(F)F)cc1Cl 5756625 CKLLQGPXGIKQDN-UHFFFAOYSA-N 353.684 2.172 30 50 FEEA CN1CCN(Cc2ccc(B3OC(C)(C)C(C)(C)O3)cc2Cl)CC1 169951865 NNCXAKUJVOAXGY-UHFFFAOYSA-N 350.699 2.387 30 50 FEEA CCCCNS(=O)(=O)c1cc(C)cc(B2OC(C)(C)C(C)(C)O2)c1 170005458 NCOIPGUWNQGLSL-UHFFFAOYSA-N 353.293 2.373 30 50 FEEA O/C(=N/[C@@H]1CCc2nc[nH]c2C1)N1CCC[C@H](c2n[nH]c(C3CC3)n2)C1 329738230 MRLKCJVROKZCGQ-QWHCGFSZSA-N 355.446 2.056 30 50 FEEA N#Cc1ccc(C(=O)N2CCC[C@]3(CCC(=O)N(CC4CC4)C3)C2)cn1 77518507 FKAMVGGJRAJYFJ-FQEVSTJZSA-N 352.438 2.208 30 50 FEEA C=CC[C@]1(C(=O)O)CCCN(Cc2cnc(N3CCOCC3)s2)C1 91987097 CZMZERDYYFRZQN-KRWDZBQOSA-N 351.472 2.223 30 50 FEEA Cc1occc1-c1nnc(SCC(=O)O)n1/N=C/c1nc(C#N)cs1 1875252866 QMCNJSDLCGQDDO-FZSIALSZSA-N 374.407 2.234 30 50 FEEA C=CCN(CC=C)Cc1cccc(OC[C@H](O)CN2CCN(CC)CC2)c1 20781974 WBIANEFNEFUAPP-OAQYLSRUSA-N 373.541 2.238 30 50 FEEA O=C(C/N=C(/O)C#C[C@@H]1CCOC1)N1CCC(Cc2ccccc2)CC1 328589833 JFDATBRALUIPRE-LJQANCHMSA-N 354.450 2.464 30 50 FEEA CC(C)n1cc(C(=O)N[C@@H]2CCOC[C@H]2Oc2ccc(C#N)cc2)cn1 218419541 NRPAGPPFHYTBEZ-QZTJIDSGSA-N 354.410 2.302 30 50 FEEA C[C@@H]1Oc2c(cccc2/C(O)=N/C2(c3ncon3)CCOCC2)N=C1O 329764999 WLSXSTMMSFJFQW-JTQLQIEISA-N 358.354 2.449 30 50 FEEA C[C@H]1CN(c2ccc(C#N)cc2)C(=O)CN1C(=O)c1cncc(Cl)c1 82116368 NXAAPFZPSJDVQF-LBPRGKRZSA-N 354.797 2.484 30 50 FEEA CC(C)n1cc(C(=O)N2CC(=O)N(c3ccc(C#N)cc3)C[C@@H]2C)cn1 82108907 CHCSJIUUMBMTKM-AWEZNQCLSA-N 351.410 2.213 30 50 FEEA CCc1nnc(N[C@H]2CCCN(c3nccnc3O)C2)c(C#N)c1CC 275669918 VNXWXXPISREEHC-LBPRGKRZSA-N 353.430 2.050 30 50 FEEA Cc1ccc(C(=O)N2CC[C@H](c3cc(O)nc(N(C)C)n3)C2)cc1C#N 864836787 NZGDEHQPLMXXRK-AWEZNQCLSA-N 351.410 2.058 30 50 FEEA C#CCCC1(CCC(=O)NC2CCN(c3ccc(C#N)cn3)CC2)N=N1 952880044 BHYFUVDZAFMEBK-UHFFFAOYSA-N 350.426 2.394 30 50 FEEA C=CCNC(=O)c1ccc(C(=O)Nc2ccnn2[C@@H]2CCCOC2)cc1 1875286604 XFDFAJOZUCGLPR-MRXNPFEDSA-N 354.410 2.403 30 50 FEEA CC#CCN(Cc1ccco1)C(=O)[C@H](C)N(c1ccccc1)S(C)(=O)=O 55413855 DEEQGGINZXEYIR-INIZCTEOSA-N 374.462 2.486 30 50 FEEA CC[C@H](C)N(CC(=O)O)S(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1 271079469 QGNIEMQTKANSEN-VIFPVBQESA-N 364.345 2.451 30 50 FEEA COCCN1CC[C@H](N/C(O)=N/Cc2cc(Br)cs2)C1 330838389 MFKQJZGHXGXOGG-NSHDSACASA-N 362.293 2.235 30 50 FEEA CC(=O)N1C[C@H](NC(=O)Cc2ccc(C#N)cc2)CC[C@@H]1C(F)(F)F 886038169 NZVVRCPFMLSNTO-HUUCEWRRSA-N 353.344 2.159 30 50 FEEA O=C1[C@@H]2[C@@H](C(=O)N1/N=C/c1cc(Br)ccc1O)[C@H]1C=C[C@H]2C1 101021153 RBZDTQLAQDWVSS-IKVVNCLDSA-N 361.195 2.296 30 50 FEEA Cc1ncccc1O[C@H]1CCN(S(=O)(=O)Cc2cccc(C#N)c2)C1 328631278 QTHQLAUBYMXNEW-KRWDZBQOSA-N 357.435 2.245 30 50 FEEA C[C@@H]1CN(c2ccc(C#N)cc2)C(=O)CN1C(=O)c1cncc(Cl)c1 82116367 NXAAPFZPSJDVQF-GFCCVEGCSA-N 354.797 2.484 30 50 FEEA CS(=O)(=O)O/N=C1\CCCC[C@@H]1c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 12953043 AOJPYDQDIMVJSV-NOHQBZTLSA-N 357.344 2.493 30 50 FEEA CC(=O)N[C@H]1CC[C@@H](C(F)(F)F)N(C(=O)c2ccc(F)c(C#N)c2)C1 330555309 DZYKADUKWZSPGI-JSGCOSHPSA-N 357.307 2.369 30 50 FEEA C#C[C@@]12CCC[C@]1(F)CN(S(=O)(=O)c1ccc(/C=C/C(=O)O)cc1)C2 2325798709 RZUDAZCSPRWOEX-TYKASLFTSA-N 363.410 2.301 30 50 FEEA N#Cc1ccc(-c2n[nH]cc2CN[C@@H]2C[C@@H](Cn3cccn3)C[C@H]2O)cc1 2325849087 GGBCMGCQDWPNMX-ATZDWAIDSA-N 362.437 2.074 30 50 FEEA C#CCCC1(CCC(=O)N2CCC(c3ncc4c(n3)CCNC4)CC2)N=N1 2325900554 ABGGLDYPULHGLV-UHFFFAOYSA-N 366.469 2.184 30 50 FEEA O/C(=N/[C@H]1CCCC12CCOCC2)N1CCC[C@@H](CN2CCOCC2)C1 328764437 DSTAFISKFFESOU-ROUUACIJSA-N 365.518 2.294 30 50 FEEA O=S(=O)(C[C@@H]1CCCCO1)Nc1cnn(C/C(O)=N/C2CCCC2)c1 329446894 CSARHGXXGNCNAT-HNNXBMFYSA-N 370.475 2.093 30 50 FEEA N/C(=N\OC(=O)c1ccccc1I)c1ccncc1 18142835 XUBZDSYOJSYGAL-UHFFFAOYSA-N 367.146 2.164 30 50 FEEA Cn1c2c(c(=O)[nH]c1=O)[C@@H](c1ccccc1)C1=C(N2)c2ccccc2C1=O 18285135 BPBFYBNRQMSJHB-AWEZNQCLSA-N 357.369 2.239 30 50 FEEA biogenic C=CC[C@@H](Nc1ccccc1)[C@@]12C=C[C@@H](O1)C(C(=O)OC)=C2C(=O)OC 4859436 OATWETZGGLHRAC-STXHMFSFSA-N 355.390 2.393 30 50 FEEA Cc1nn(C)c(C)c1[C@H]1[C@H](CNCc2ccc(C#N)s2)CC(=O)N1C 328627574 MYBDWKDJJLZYPF-SCLBCKFNSA-N 357.483 2.279 30 50 FEEA Cc1ccsc1C(=O)N1CCCN(C(=O)c2cc(C#N)cn2C)CC1 1772706956 IEOIASSOYCYCFJ-UHFFFAOYSA-N 356.451 2.255 30 50 FEEA CS(=O)(=O)N(C1CCC1)[C@H]1CCCN(C(O)=Nc2cccnc2)CC1 328652673 WPEZQCKUOMKPRO-INIZCTEOSA-N 366.487 2.296 30 50 FEEA CCN(CC)Cc1cnc2c(C(=O)NCc3ccc(C#N)cc3)cnn2c1 67688782 YWKGDSPTEZEREH-UHFFFAOYSA-N 362.437 2.373 30 50 FEEA C=CCC[C@@H](CN1CCC(C(=O)O)CC1)Oc1ccnc(OC)c1C#N 72431299 SDJOYTZDVWEJMH-HNNXBMFYSA-N 359.426 2.472 30 50 FEEA N#Cc1cccc([C@H]2CN(C(=O)NC3CCC(C(=O)O)CC3)CCO2)c1 262944458 ADFQONHQJAPTAG-BDVYOWHSSA-N 357.410 2.285 30 50 FEEA C=CCN1CC2(CCC1=O)CCN(C(=O)Cc1ccc(O)c(F)c1)CC2 91526357 NUBFNVRTQJVPKN-UHFFFAOYSA-N 360.429 2.491 30 50 FEEA N#Cc1ccc(NC(=O)CCCN2CCN(C3CCCC3)C(=O)C2)cc1 244601712 DQQMMALBKYIWIB-UHFFFAOYSA-N 354.454 2.364 30 50 FEEA Cc1cc(C)n(CC(=O)N2CCN(Cc3ccc(C#N)cc3)C[C@@H]2C)n1 170596555 IWBXEZLVCKZRCR-KRWDZBQOSA-N 351.454 2.105 30 50 FEEA CC(=O)c1ccc(S(=O)(=O)NC(=O)[C@H]2C[C@H]2c2cccc(C#N)c2)cc1 170650442 FABAKQSHTGGTAH-ROUUACIJSA-N 368.414 2.369 30 50 FEEA COc1cc2c(cc1OC)C1(CCN(c3nccnc3C#N)CC1)OCC2 1704329870 CZTBAJFWHSTMEB-UHFFFAOYSA-N 366.421 2.434 30 50 FEEA COCCN(CCC#N)S(=O)(=O)N1CC=C(c2ccc(F)cc2)CC1 225704195 WXSRGGRAQNNAHD-UHFFFAOYSA-N 367.446 2.022 30 50 FEEA C=CCN1CC2(CCC1=O)CCN(S(=O)(=O)c1ccccc1C#N)CC2 91830615 PZXXFNWDJWQFDN-UHFFFAOYSA-N 373.478 2.138 30 50 FEEA CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)ON1C(=O)c2ccccc2C1=O 1772783312 KMAZJIBPYYBTNT-ZDUSSCGKSA-N 362.382 2.290 30 50 FEEA N#Cc1ccc(N2CCN(C(=O)c3cc(C4CC4)[nH]c(=O)c3)CC2)c(F)c1 184318779 BINOBENGSHEXGB-UHFFFAOYSA-N 366.396 2.225 30 50 FEEA C#CCn1c(=O)c(CNCCCn2ccnc2)cc2ccc(OC)cc21 12242436 VWQOPJNBYVCGOR-UHFFFAOYSA-N 350.422 2.020 30 50 FEEA C#CCCC1(CCC(=O)NCc2cc(C(=O)NC)c3n2CCCC3)N=N1 2325891956 NVQBKQDVEAZWFX-UHFFFAOYSA-N 355.442 2.156 30 50 FEEA CC1=CC[C@@]2(COS(C)(=O)=O)CCCC[C@@]2(COS(C)(=O)=O)C1 101138340 PHMKWYZUQUCDDM-CABCVRRESA-N 366.501 2.226 30 50 FEEA Cc1nc(CCNC(=O)c2cccc(C#CC(C)(C)O)c2)nc2c1CCC2 65398758 JLXZDWNCJVHZDR-UHFFFAOYSA-N 363.461 2.369 30 50 FEEA CC(C)(C(=O)N1CCN(c2ccc(C#N)cn2)CC1)c1ccc(O)cc1 253419380 LADVNSBKTGCHCO-UHFFFAOYSA-N 350.422 2.285 30 50 FEEA Cc1nc([C@@H]2CCCN(c3ncccc3C#N)C2)cc(N2CCOCC2)n1 72453968 GBWAFLMKPLHMHT-QGZVFWFLSA-N 364.453 2.272 30 50 FEEA C#CCCC1(CCC(=O)Nc2ccc(F)cc2NS(C)(=O)=O)N=N1 2325892286 HUSPHTCDRINZSP-UHFFFAOYSA-N 352.391 2.491 30 50 FEEA C=C(C)Cn1c(=O)c2c(nc3n2CCN3c2ccc(CC)cc2)n(C)c1=O 3015885 YATNYBAQDFRKGL-UHFFFAOYSA-N 365.437 2.187 30 50 FEEA COc1nc2ccn(CCC(=O)NC3CCCCC3)c(=O)c2cc1C#N 67654927 UXKHKXNVLHZXQY-UHFFFAOYSA-N 354.410 2.116 30 50 FEEA CC(C)(O)C#Cc1cccc(C(=O)NCc2noc(-c3ccco3)n2)c1 952982330 GSZWLIAVLIAJPI-UHFFFAOYSA-N 351.362 2.382 30 50 FEEA CCCOc1ccc(CO/N=C/c2c(C)[nH]c(=O)[nH]c2=O)cc1Cl 2282875 YKSWKOQRLVSCCR-QGMBQPNBSA-N 351.790 2.365 30 50 FEEA C#CCCC1(CCNC(=O)COc2cccc(N3CCCC3=O)c2)N=N1 2325891105 QVTLWMDBDHWHCM-UHFFFAOYSA-N 354.410 2.274 30 50 FEEA C=CCn1c(C)cn2c3c(=O)n(Cc4ccccc4C)c(=O)n(C)c3nc12 4251021 FFRPLMSBGOYQOI-UHFFFAOYSA-N 363.421 2.001 30 50 FEEA CN(Cc1ccc(-c2cc(C(C)(C)C)nc(N)c2C#N)o1)S(C)(=O)=O 71775706 MHPMEXJUBGULLX-UHFFFAOYSA-N 362.455 2.484 30 50 FEEA C=CCN(C)C(=O)c1ccc(S(=O)(=O)NCC[C@@H]2CCCCO2)cc1 91452666 SHINHPIHNGEEDA-INIZCTEOSA-N 366.483 2.182 30 50 FEEA CCc1nn(C)cc1C(=O)N1CCN(c2c(C#N)cnc3ccccc23)CC1 180083924 OTCIMFRIANMGHN-UHFFFAOYSA-N 374.448 2.365 30 50 FEEA CC(C)(C/N=C(/O)N[C@@H]1CC(=O)N(C2CC2)C1)c1ccc2c(c1)OCCO2 330264464 XYXFLBLYUWEHNS-CQSZACIVSA-N 373.453 2.002 30 50 FEEA C#CCN1C(=O)[C@@](O)(CC(=O)c2ccccc2[N+](=O)[O-])c2ccccc21 1157110 BCDBOWUKLNVIBY-LJQANCHMSA-N 350.330 2.035 30 50 FEEA Cc1n[nH]c(C)c1[C@@H]1COCCN1C(O)=Nc1cnn(CC(F)F)c1 329411844 YETRJHQKRGBYEB-LBPRGKRZSA-N 354.361 2.107 30 50 FEEA C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N1CCN(c2ccccc2C#N)CC1 331861466 KHYQXYIHOFBYTM-MJGOQNOKSA-N 354.454 2.371 30 50 FEEA C=CC[C@]1(CO)CCCN(S(=O)(=O)CCOc2ccc(F)cc2)C1 91663037 DLCPTDQDZMYYQI-KRWDZBQOSA-N 357.447 2.185 30 50 FEEA N#Cc1ccnc(N2CCC(N3CCC[C@@H](C(=O)N4CCCC4)C3)CC2)c1 71419262 UUAVXUDLVUCXSQ-GOSISDBHSA-N 367.497 2.256 30 50 FEEA CC(C)(O)C#Cc1ccc(C(=O)N2CCC[C@]3(CCc4c[nH]nc43)C2)o1 1775981737 NXEHWPNMPCNHMW-FQEVSTJZSA-N 353.422 2.245 30 50 FEEA CC1(C)CC(=O)C2=C(C1)Nc1[nH]c(=O)[nH]c(=O)c1[C@@H]2c1ccc(F)cc1 4201572 WCCZLHNYNNHDBD-CYBMUJFWSA-N 355.369 2.403 30 50 FEEA biogenic CCc1nc(S[C@@H](C)C(=O)Nc2ccccc2OC)[nH]c(=O)c1C#N 5239010 UHTKRMALKRIWCM-JTQLQIEISA-N 358.423 2.332 30 50 FEEA C#CCCC1(CCC(=O)NC[C@H]2CCS(=O)(=O)c3ccccc32)N=N1 2325887131 VRRGTLMLTCJFSP-CQSZACIVSA-N 359.451 2.420 30 50 FEEA C=C(C)COc1c(CN2Cc3[nH]cnc3C[C@@H]2C(=O)OC)cccc1OC 55568725 GIQLILFEKIJWPI-QGZVFWFLSA-N 371.437 2.473 30 50 FEEA N#CC1(C(=O)N[C@@H](c2ccc(F)cc2F)[C@H]2C[C@@H](O)C2)CCOCC1 244724672 MYHZMRSQDOFRKK-PVXIVEMSSA-N 350.365 2.213 30 50 FEEA Cn1c(C#N)ccc1C(=O)N1C[C@@H]2CCC[C@@]2(c2nnc(C3CC3)o2)C1 1857532882 XRJSYZYVWGUILR-ORAYPTAESA-N 351.410 2.351 30 50 FEEA Cc1ccc(N=C(O)N2CCO[C@H](c3ccnc(N4CCCC4)n3)C2)nc1 328622818 IRNXEOWWXFJLLO-INIZCTEOSA-N 368.441 2.399 30 50 FEEA C=CCN1CC[C@]2(CCC1=O)CN(Cc1ccc(CC)cn1)CCN2C 107698237 JYIVXSJXFLDAAC-OAQYLSRUSA-N 356.514 2.329 30 50 FEEA COc1ccccc1/C(O)=N/S(=O)(=O)c1ccc(C(=O)NC2CC2)cc1 34997431 OAWUUPVZMNKZRY-UHFFFAOYSA-N 374.418 2.281 30 50 FEEA in-vitro Cn1nccc1[C@@H]1OCC[C@H]1C/N=C(/O)NC1CC(C)(C)NC(C)(C)C1 329220944 UGMYQCBGIXZZQS-XJKSGUPXSA-N 363.506 2.311 30 50 FEEA Cc1c(CN2C[C@H]3CC[C@@H]2CN(C(=O)c2ccccn2)C3)cc(C#N)n1C 91694449 AHSMRWWXBPHGME-SJLPKXTDSA-N 363.465 2.337 30 50 FEEA Cc1nsc(N2CC[C@H]3CC[C@@H](NC(=O)c4cnc[nH]4)[C@H]2C3)c1C#N 1875407978 LOJSUEWFDJFMLH-UXIGCNINSA-N 356.455 2.224 30 50 FEEA C=CC(C)(C)c1[nH]c2cc(O)ccc2c1C[C@@H]1NC(=O)C2=CCCN2C1=O 2332918175 KMHDZIDQBDJJCJ-INIZCTEOSA-N 365.433 2.494 30 50 FEEA CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)[C@H]2COc3ccccc32)C1 241911225 UASSEQSMEWBRER-QEJZJMRPSA-N 357.410 2.038 30 50 FEEA Cc1[nH]c2ccc(C#N)cc2c1CCNC(=O)c1cnc(C2CC2)[nH]c1=O 97301335 FWVOODNTQHRWBH-UHFFFAOYSA-N 361.405 2.281 30 50 FEEA CC(C)(O)C#Cc1ccc(C(=O)N2CCC(Oc3cccnc3)CC2)o1 952977081 AUMCKMNUEIZFMM-UHFFFAOYSA-N 354.406 2.481 30 50 FEEA Cc1ncsc1CN(C)C[C@H]1CCN(C(=O)c2ccc(C#N)cn2)C1 190563197 NNHFAZOZSCWYMJ-OAHLLOKOSA-N 355.467 2.312 30 50 FEEA Cn1cc(OC2CN(c3cc(Br)c(C#N)cc3F)C2)cn1 2325802759 ZWSRFVBHIGFDGC-UHFFFAOYSA-N 351.179 2.461 30 50 FEEA C=C(Cl)CCC(=O)N[C@H]1C[C@H](NC(=O)Cc2cc(C3CC3)on2)C1 2325867701 CYCPSSMRIYGTLV-JOCQHMNTSA-N 351.834 2.391 30 50 FEEA CCOC(=O)/C(=N\OC)c1nc2ccc(Br)cn2c1N=O 23634780 YQJKIYZUSYCDNU-YBEGLDIGSA-N 355.148 2.408 30 50 FEEA O=C1[C@H]2[C@H]3C=C[C@@H]([C@H]4C[C@H]43)[C@H]2C(=O)N1N=Cc1cc2c(cc1Cl)OCO2 245226741 JTXWSZAFELZYOI-NRULLWLTSA-N 370.792 2.456 30 50 FEEA C[C@]12CCC[C@]3(CO3)[C@@H]1C[C@@H]1[C@@H](CN3CCCC[C@H]3CO)C(=O)O[C@@H]1C2 252695145 VQSWXEJDECKEJC-PZVKIFLGSA-N 363.498 2.360 30 50 FEEA biogenic C#CCCC1(CCNC(=O)CN2C(=O)C(F)(F)Oc3ccccc32)N=N1 2325891639 SNUZDNPSGPJWFA-UHFFFAOYSA-N 362.336 2.087 30 50 FEEA N#Cc1cccc(N2CCN(CCCc3ccccc3)[C@@H](CCO)C2)n1 72425378 MJRKZSAJTUKJSH-FQEVSTJZSA-N 350.466 2.459 30 50 FEEA CC(C)(O)C#Cc1ccc(C(=O)NCc2nncn2C2CCCCC2)o1 221403379 ZRLMMNYGAGIOHV-UHFFFAOYSA-N 356.426 2.429 30 50 FEEA N#Cc1ccc(-c2ccc(C(=O)N3CC[C@](O)(CO)C3)cc2)cc1Cl 426498800 YQETZYDBQPRLEA-LJQANCHMSA-N 356.809 2.448 30 50 FEEA Cc1ccc(F)c(C(=O)NC[C@@H]2CN(c3cc(C#N)ccn3)CCCO2)c1 888103551 MKRQVXLHSTUHDQ-MRXNPFEDSA-N 368.412 2.426 30 50 FEEA C=CCn1c(-c2ccc(OC)cc2)cn2cc(C(=O)NCCF)nc2c1=O 72418568 DKCRSMVIDGDMQG-UHFFFAOYSA-N 370.384 2.057 30 50 FEEA N#Cc1ccc(O[C@@H]2CCN(C[C@@H]3CN(c4ccccc4)C(=O)O3)C2)nc1 292156197 KNTHFQMIPCJQBO-QZTJIDSGSA-N 364.405 2.432 30 50 FEEA COc1cc(/C=N/NS(=O)(=O)c2ccccc2)c(OC)c(OC)c1 1191145 WWLUWHULMMFRMB-GZTJUZNOSA-N 350.396 2.025 30 50 FEEA C=C(C)CSc1nc2c(c(=O)[nH]c(=O)n2C)n1Cc1cccc(C)c1 4095317 YPFWQDDIFNZFNS-UHFFFAOYSA-N 356.451 2.448 30 50 FEEA COC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@@H]1c1ccc(O)c([N+](=O)[O-])c1 100435232 ULRZZRMGXUQMJV-MRXNPFEDSA-N 358.350 2.441 30 50 FEEA C[C@@](C#N)(NC(=O)CN(Cc1ccccc1O)C[C@H]1CCCO1)C1CC1 246276677 SLTSERDVHMBIKL-XLIONFOSSA-N 357.454 2.182 30 50 FEEA COc1ccc(/C=N/N2C(=O)[C@H]3[C@H]4C=C[C@H]([C@H]3C2=O)[C@@H]2C[C@@H]42)c(OC)c1 244659427 HCKZNPLHWXTKAE-OZINRZGZSA-N 352.390 2.091 30 50 FEEA CNC(=O)c1n[nH]c2c1CN(Cc1ccc(-c3ccccc3C#N)o1)CC2 215522835 WOOKMVNIRHBEHH-UHFFFAOYSA-N 361.405 2.459 30 50 FEEA CCn1ccnc(N2CCC(/N=C(/O)COc3ccccc3)CC2)c1=O 328635304 NGNCHHJPXUZQRH-UHFFFAOYSA-N 356.426 2.268 30 50 FEEA N#Cc1ccccc1OCCN1CCC[C@H]1c1nc(C(=O)NC2CC2)no1 328656702 ZPADXYIDYURBTR-HNNXBMFYSA-N 367.409 2.049 30 50 FEEA N#Cc1ccc(N2CC[C@H](N3CCN(Cc4ccco4)CC3)C2=O)cc1 291460040 AIXNDTYLAKWWEZ-IBGZPJMESA-N 350.422 2.074 30 50 FEEA N#C[C@@H](CC1CC1)C(=O)NCC(=O)N1CCN(c2ccc(Cl)cc2)CC1 170595788 BSSJOASWDBLOJK-OAHLLOKOSA-N 374.872 2.045 30 50 FEEA C[C@H]1c2ccccc2O[C@@H]1C(=O)NS(=O)(=O)Cc1ccc(C#N)cc1 170630741 QDUGYXJQNQIJBV-SJCJKPOMSA-N 356.403 2.069 30 50 FEEA C=C(C)Cn1c(=O)c2c(nc3n(Cc4ccccc4)c(C)cn23)n(C)c1=O 12374122 ANNLHLJHZYZOCW-UHFFFAOYSA-N 363.421 2.082 30 50 FEEA N#Cc1ccc(C[C@H](NS(=O)(=O)c2ccc(Cl)cc2)C(=O)O)cc1 4085153 XCWGEDGWRDSTIR-HNNXBMFYSA-N 364.810 2.186 30 50 FEEA C[C@H]1c2ccccc2O[C@@H]1C(=O)NS(=O)(=O)c1cccc(F)c1C#N 159976737 CPGVDWZUCGQURE-QFYYESIMSA-N 360.366 2.067 30 50 FEEA Cc1nccn1Cc1nnc([C@@H]2CCCN(c3cccc(C#N)n3)C2)n1C 95372215 FSYCPPHHWWSYFQ-OAHLLOKOSA-N 362.441 2.019 30 50 FEEA O=C(c1cnn(C/C(O)=N/C2CCCC2)c1)N1CC[C@H](O)C12CCCC2 329466782 WCZQKWZURUKUOU-INIZCTEOSA-N 360.458 2.302 30 50 FEEA Cc1nc(C#N)c(N2CCC(C(=O)N3CCCO[C@@H]4CCC[C@H]43)CC2)o1 373540068 UVZCQTPGDGTWML-IAGOWNOFSA-N 358.442 2.241 30 50 FEEA Cn1nccc1[C@H]1CCCCN1S(=O)(=O)Cc1ccc(F)cc1C#N 296136449 SNBFUFOTTHAMTI-QGZVFWFLSA-N 362.430 2.488 30 50 FEEA CNc1nnc(Cc2csc(NC(=O)c3cc(C#N)cn3C)n2)s1 1506402594 UFMLJJVNOCXBPH-UHFFFAOYSA-N 359.440 2.090 30 50 FEEA C=CCn1c(CN2CCOCC2)nnc1SCC(=O)Nc1ccccc1 12379136 SCSDYZFIQXICFM-UHFFFAOYSA-N 373.482 2.027 30 50 FEEA CC[C@@H]1C[C@H]1C(=O)NC[C@@H]1CC2(CO1)CN(c1ncc(C#N)cc1C)C2 1875407925 KHMQYXQBFAWTAD-IXDOHACOSA-N 354.454 2.019 30 50 FEEA CCN1CCC[C@@H](CN(C)C(O)=Nc2cnn(C)c2)[C@@H]1c1cnn(C)c1 328628769 OBXASFPZUSREBZ-WMLDXEAASA-N 359.478 2.104 30 50 FEEA COC[C@@H](/N=C(/O)N(C)C[C@@H]1CCCN(C)[C@H]1c1cnn(C)c1)C1CC1 328625966 LFZMKYQFTLMYOK-CGTJXYLNSA-N 363.506 2.074 30 50 FEEA OCC#Cc1csc(-c2cn(C[C@H]3COc4ccccc4O3)nn2)c1 91304445 YXNACJRLFJACFF-AWEZNQCLSA-N 353.403 2.190 30 50 FEEA COc1ccccc1C1(C/N=C(/O)N2CC[C@@H]3OCCN(C)[C@@H]3C2)CCC1 329172853 KOYFPVOEPPICKF-MJGOQNOKSA-N 373.497 2.436 30 50 FEEA N#CCCS(=O)(=O)c1cccc2c(S(=O)(=O)CCC#N)cccc12 2023288 UHDDWLBJRXTPGH-UHFFFAOYSA-N 362.432 2.215 30 50 FEEA C=CCn1cc(CN2CCc3nc(C)nc(N4CC=CC4)c3CC2)cn1 102030026 XZMZLCGSBOFLCT-UHFFFAOYSA-N 350.470 2.145 30 50 FEEA Cc1nc(CN2C[C@@H](F)C[C@H]2CN(C)C(=O)c2ccc(C#N)cn2)cs1 328605901 PSKMWZXHUCWAIO-HOCLYGCPSA-N 373.457 2.403 30 50 FEEA N#Cc1ccc(OC[C@H](O)CN2CCN(c3ccc(F)cc3)CC2)cc1 20405855 DFLPYMOJQOHVCB-LJQANCHMSA-N 355.413 2.259 30 50 FEEA Cc1cc(N2CCC3(CCC(=O)N(CCN(C)C)C3)CC2)nc(C)c1C#N 91915427 QCXMTRIGNWCQBA-UHFFFAOYSA-N 369.513 2.341 30 50 FEEA COc1ccccc1N(CC(=O)Nc1ccc(CC#N)cc1)S(C)(=O)=O 1166888 MTARNNQJVWXEJG-UHFFFAOYSA-N 373.434 2.166 30 50 FEEA Cc1noc(CCCC(=O)N2CCN(Cc3ccc(C#N)cc3)C[C@@H]2C)n1 170596489 QDUYNVARPVNCJH-HNNXBMFYSA-N 367.453 2.305 30 50 FEEA N#Cc1cccc(C(=O)N2CCCN(C(=O)CCc3ccncc3)CC2)c1 1772712056 ZUCQLFATIQECFC-UHFFFAOYSA-N 362.433 2.261 30 50 FEEA Cc1cc(C)c(C#N)c(N2CCC(Cn3cc(C(C)(C)N)nn3)CC2)n1 19791246 GESQLLLYMADNBS-UHFFFAOYSA-N 353.474 2.272 30 50 FEEA COc1ccc(CNC[C@@H]2CC(=O)N(C)[C@H]2c2ccncc2)cc1C#N 850367865 FTROCEIFOGFBSH-PXNSSMCTSA-N 350.422 2.271 30 50 FEEA Cc1noc(C/N=C(/O)N(C)C[C@@H]2CCc3nc(C(F)(F)F)cn3C2)n1 328636010 VHKLXJQLMYPZAR-JTQLQIEISA-N 372.351 2.202 30 50 FEEA CN(C[C@@H]1CCc2nc(C(F)(F)F)cn2C1)/C(O)=N/C[C@@H]1CCOC1 328636640 VPRVEHHDUTZYCI-RYUDHWBXSA-N 360.380 2.347 30 50 FEEA Cc1cnn([C@@H]2CCN(/C(O)=N/C3CCN(c4nccs4)CC3)C2)c1 329669232 RGPFDNGNPBNNTK-OAHLLOKOSA-N 360.487 2.478 30 50 FEEA Cc1c([C@@H]2[C@H](/C(O)=N/[C@@H]3[C@@H]4CCO[C@H]4C3(C)C)CC(=O)N2C)cnn1C 329877237 JAJSXFDJGDRJFA-NCZBFZFDSA-N 360.458 2.018 30 50 FEEA CCOC(=O)[C@H](C#N)[C@@H](c1cccc(OC)c1OC)[C@H](C#N)C(=O)OCC 257356397 HUCHRDYOUXHDTF-MIFYACCESA-N 374.393 2.193 30 50 FEEA Cn1c(Oc2ccc(NC3CCCCC3)cc2)c(C#N)c(=O)n(C)c1=O 170622093 YTJWWAPAEWACCN-UHFFFAOYSA-N 354.410 2.493 30 50 FEEA N#Cc1ccc(CN2C(=O)N[C@]3(CCOc4ccccc43)C2=O)cc1F 191443511 OHNWVPIXEGKZDL-IBGZPJMESA-N 351.337 2.427 30 50 FEEA O=C1CCC(c2ccccc2)=C1CC(=O)N1C[C@@H]2[C@H](CO)[C@H]3CC[C@]2(C1)O3 1857734613 WTRTWPLHIPAKHN-XHYAQGIWSA-N 367.445 2.192 30 50 FEEA N#Cc1n[nH]c(=N[C@H]2CC[C@H](NC(=O)C3(F)CC3)c3ccccc32)s1 1875408165 PTSDWXFOMOGLPU-STQMWFEESA-N 357.414 2.438 30 50 FEEA C=C(C)Cn1c(=O)c2c(nc3n2CCCN3c2ccccc2)n(C)c1=O 6022353 ORUIBVYRUDKKTC-UHFFFAOYSA-N 351.410 2.015 30 50 FEEA Cc1ccc(C(=O)NCCc2cccc(C#N)c2)cc1NS(C)(=O)=O 225623926 TZQNBOLALOQNFK-UHFFFAOYSA-N 357.435 2.211 30 50 FEEA N#Cc1ccc(O[C@H]2CCOC[C@@H]2NC(=O)c2cc(Cl)cnc2O)cc1 1565511581 VPZJLSULBNWVIF-HOTGVXAUSA-N 373.796 2.279 30 50 FEEA N=C(N)NS(=O)(=O)c1ccc(/N=C/c2c(O)ccc3ccccc23)cc1 1063854 QLGGGBFSWGAKSF-SRZZPIQSSA-N 368.418 2.468 30 50 FEEA COCCN1C(=O)C(O)=C(C(=O)c2ccco2)[C@H]1c1cccc([N+](=O)[O-])c1 6786283 GHWPCUALSLWALE-OAHLLOKOSA-N 372.333 2.413 30 50 FEEA O=C(COc1ccc2ccc(=O)oc2c1)NCC#Cc1cccc(F)c1 225765493 IOVIIUWRJPGMAA-UHFFFAOYSA-N 351.333 2.479 30 50 FEEA CCCn1ncc(-c2cc(-c3c[nH]nc3C(=O)OC)c(C#N)c(N)n2)c1C 71575557 SFZNQMFLNPNMAH-UHFFFAOYSA-N 365.397 2.294 30 50 FEEA Cc1ccc(C#N)c(N2CCC[C@@H](c3nnc(CN4CCCC4)n3C)C2)n1 72476408 VJEMKEBDHXMBIW-QGZVFWFLSA-N 365.485 2.370 30 50 FEEA CCOC(=O)[C@H]1[C@H](c2cccs2)c2c(nc(N)c(C#N)c2N)O[C@@H]1C 1848444165 RPKBTAKFPSDZFK-FXAINCCUSA-N 358.423 2.271 30 50 FEEA C[C@@H](NC(=O)C1CCN(c2ccc(C#N)cc2F)CC1)C(=O)N1CCCC1 1875255450 SWQYUHWXSNWOTD-CQSZACIVSA-N 372.444 2.041 30 50 FEEA C#CCCC1(CCNC(=O)[C@H]2CCN(c3cc(F)cc(F)c3)C2=O)N=N1 2325891165 UUXIQCGHQVPUHW-OAHLLOKOSA-N 360.364 2.400 30 50 FEEA C=CCNC(=O)CSc1nnc(-c2cc(C(F)(F)F)nn2C)n1CC 2793538 LZNRTFSXUGXWTD-UHFFFAOYSA-N 374.392 2.112 30 50 FEEA COc1ccccc1O[C@H]1CCCN(S(=O)(=O)c2cncc(C#N)c2)C1 290183941 RESVGPAVLRJUIQ-HNNXBMFYSA-N 373.434 2.194 30 50 FEEA C#CCNS(=O)(=O)c1cccc(C(=O)N2CC[C@H]2Cc2ccccc2)c1 748010441 INKNGUSJHWFEFG-SFHVURJKSA-N 368.458 2.055 30 50 FEEA Cc1nc(N[C@@H]2CCCN(C(=O)c3ccco3)C2)c(C#N)cc1C(=O)O 1506403034 MCXGDQRLZIPUCL-CYBMUJFWSA-N 354.366 2.270 30 50 FEEA N#C[C@@]1(CO)CC12CCN(C[C@H](O)COc1cccc(Cl)c1)CC2 1875281747 UOXXLNAYMGYBRU-MAUKXSAKSA-N 350.846 2.068 30 50 FEEA N#Cc1ccc(N2CCC(NC(=O)NOCc3ccc(F)cc3)CC2)nc1 225580494 CZPQQPQYGKHDTP-UHFFFAOYSA-N 369.400 2.492 30 50 FEEA CCc1cc(NC[C@H]2CCn3ncc(/C(O)=N/C(C)C)c3C2)nc(C)n1 328605672 ORKNJRRCCFVLRN-AWEZNQCLSA-N 356.474 2.931 30 50 FEEA CCOc1cc(C=NN2C(=O)[C@H]3[C@H]4C=C[C@H]([C@H]3C2=O)[C@@H]2C[C@@H]42)ccc1O 245227079 YTDUBYPQQWZWGR-PNZLXGSGSA-N 352.390 2.178 30 50 FEEA COc1cc(C(=O)/N=C(\N)Nc2nc3ccccc3o2)cc(OC)c1OC 5795093 YZLBPPUAOBIDPA-UHFFFAOYSA-N 370.365 2.421 30 50 FEEA C=CCn1nc(C(=O)N2CCCCC2)c2c1CC[C@H](NCC(C)(C)CO)C2 14749945 DWNRHNYFVYDKPO-INIZCTEOSA-N 374.529 2.161 30 50 FEEA N#C[C@H]1CNCC12CC(c1nc(-c3ccc(N4CCOCC4)cc3)no1)C2 904088863 POEBVTIFKOQRQE-NGEICVOHSA-N 365.437 2.180 30 50 FEEA COc1cc(OC)c(OC)cc1C=NN1CCN(c2ccccn2)CC1 245241812 PYDRNQJGMKDYOP-UHFFFAOYSA-N 356.426 2.264 30 50 FEEA CN1CCC[C@]2(CO)CCN(Cc3ccc(C#CC(C)(C)O)s3)C[C@@H]12 1704298565 JINDOSKHGZEQGU-UYAOXDASSA-N 362.539 2.149 30 50 FEEA N#Cc1ccc(N2CCC(C(=O)NC[C@@H]3C[C@@H]4CCC[C@@H]4O3)CC2)nc1 1875269820 LPBZXPVCEZHMEQ-BZSNNMDCSA-N 354.454 2.243 30 50 FEEA C#C[C@@H]1CCCN(C(=O)C(=O)NCc2cc(-c3cccc(Cl)c3)on2)C1 2325783829 FSMODECJUCDXSM-CYBMUJFWSA-N 371.824 2.483 30 50 FEEA Cc1n[nH]cc1C/N=C(/O)N1CC[C@@H](Oc2cccnc2N2CCCC2)C1 328640125 XDYNPQOCGKXHBS-MRXNPFEDSA-N 370.457 2.281 30 50 FEEA Cn1nccc1N1CCC[C@H](/N=C(/O)[C@@H]2CCCN2C2CCCC2)C1=O 330056735 WIPRTOXFIJHNMZ-HOTGVXAUSA-N 359.474 2.279 30 50 FEEA Cc1nccn1Cc1nnc([C@H]2CCCN(c3ncccc3C#N)C2)n1C 95384954 DAILLKJKBCKFIF-INIZCTEOSA-N 362.441 2.019 30 50 FEEA CC(C)c1csc([C@H](C#N)C(=O)CN2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)n1 170649850 XDEBAFAETIDQNL-RWNPNPFLSA-N 369.446 2.250 30 50 FEEA CCOC(=O)[C@H]1C(=O)C=C(N2CCOCC2)C[C@H]1c1cccc(OC)c1 1440884 NXVBLOXYDZFGOT-PKOBYXMFSA-N 359.422 2.147 30 50 FEEA C=CCn1c(-c2ccccc2)c(CC)n2c3c(=O)n(C)c(=O)n(C)c3nc12 4625500 MEBXWLWTKRUUMX-UHFFFAOYSA-N 363.421 2.102 30 50 FEEA CC(=O)c1cccc(N/N=C2/C(=O)N(C(N)=S)N=C2c2ccccc2)c1 100507714 AFWSHMAZXZWIQX-LTGZKZEYSA-N 365.418 2.147 30 50 FEEA C=CCc1ccccc1OCCN(C)C(=O)Cn1nc(Cl)ccc1=O 55099019 ARJSHRGXDZEGRU-UHFFFAOYSA-N 361.829 2.163 30 50 FEEA C#CCCC1(CCC(=O)N[C@@H]2CCCN(Cc3ccccn3)C2=O)N=N1 952883396 ZHXZILSQIGUIMK-MRXNPFEDSA-N 353.426 2.045 30 50 FEEA CCOc1cc(C#N)c(NC(=O)c2cc(C(=O)OC)n(C)n2)cc1OCC 4770213 UZZVZBDRBIQXFD-UHFFFAOYSA-N 372.381 2.128 30 50 FEEA N#Cc1ccc(C(=O)Nc2ccc(OCC(=O)N3CCOCC3)cc2)cc1 952969057 ARAYXXTVCJBWSK-UHFFFAOYSA-N 365.389 2.048 30 50 FEEA CN/N=C(\c1nc2ccc(Cl)cc2[nH]c1=O)[C@H](O)c1ccc(OC)cc1 6381401 VYVNVKPVVCZXGM-HAFIMRKLSA-N 372.812 2.242 30 50 FEEA N#Cc1nc(N2C[C@@H]3[C@@H](C[C@H]3NC(=O)c3cccnc3)C2)sc1Cl 1875329366 RYXAZQPQONEULO-QJPTWQEYSA-N 359.842 2.318 30 50 FEEA COC(=O)c1cc(C#N)c(N2CCN(Cc3ncccc3C)CC2)nc1C 77303109 BYGNHKRIYQKQMR-UHFFFAOYSA-N 365.437 2.074 30 50 FEEA Cn1ccc(N2CCC[C@@H](O/N=C(/N)Cc3ccccc3Cl)C2=O)n1 170642637 GGDKQPSZCAAUGU-CQSZACIVSA-N 361.833 2.100 30 50 FEEA CCc1c(C)c(C#N)c2nc3ccccc3n2c1N1CCN(CCO)CC1 19594234 LZKQKMNFXONPRO-UHFFFAOYSA-N 363.465 2.344 30 50 FEEA Cc1c(C(=O)N2CCC[C@@H](C(=O)Cc3ccccc3)C2)c[nH]c(=O)c1C#N 77353362 YKTLHPFSOJCMBD-MRXNPFEDSA-N 363.417 2.219 30 50 FEEA N#Cc1ccc(C(=O)N2CC[C@H](Oc3cccnc3N3CCCC3)C2)nc1 328645350 ZPGUUXICGBGFKG-INIZCTEOSA-N 363.421 2.242 30 50 FEEA CCOc1cccc(/C=N\NS(=O)(=O)c2ccc(OC)cc2)c1O 17072691 VAFOWFPYGXXKNN-BOPFTXTBSA-N 350.396 2.112 30 50 FEEA COCC1(C(=O)N[C@H]2CN(c3ccc(C#N)cn3)C[C@@H]2C(C)C)CCC1 91807908 LLCNIHALYVJRRQ-SJORKVTESA-N 356.470 2.347 30 50 FEEA C=CCN1C(=O)/C(=C/c2ccccc2OS(C)(=O)=O)SC1=S 16193219 QJJOQZYSRJNHKI-XFXZXTDPSA-N 355.462 2.412 30 50 FEEA CCOC(=O)[C@H]1C(=O)C=C(N2CCOCC2)C[C@@H]1c1cccc(OC)c1 1440882 NXVBLOXYDZFGOT-IEBWSBKVSA-N 359.422 2.147 30 50 FEEA C[C@@H]1CCCN(c2nc3c(c(=O)[nH]2)[C@H](c2ccccc2)[C@@H](C#N)C(=O)N3)C1 230074626 CIJLSRBESACKHW-BPLDGKMQSA-N 363.421 2.230 30 50 FEEA O=C1C=CC(=Cc2sc(=S)n([C@@H]3CCS(=O)(=O)C3)c2O)C=C1 334158358 IWQXLCNXFUTLIC-SNVBAGLBSA-N 355.462 2.423 30 50 FEEA COCCn1cc([C@H]2OCC[C@@H]2/C(O)=N/Cc2ccc(OC)nc2)cn1 328621211 HOQVHGFZSLTIFB-DOTOQJQBSA-N 360.414 2.167 30 50 FEEA CC(C)CN1CCN(Cc2ccc(C#CC(C)(C)O)cc2)C[C@H]1CCO 104448856 GWJWKHBCSBIDAQ-OAQYLSRUSA-N 358.526 2.334 30 50 FEEA CN(C[C@@H]1C[C@H](F)CN1Cc1cccs1)/C(O)=N/Cc1ccnn1C 328647213 TUYQDTCQKDJPRD-ZFWWWQNUSA-N 365.478 2.440 30 50 FEEA N#Cc1ccc(OC[C@@H](O)CS(=O)(=O)c2ccc(Cl)cc2)cc1 1399244 UVSIWIUHGAEWQS-CQSZACIVSA-N 351.811 2.425 30 50 FEEA Cc1nccn1Cc1nnc([C@@H]2CCCN(c3ncccc3C#N)C2)n1C 95384953 DAILLKJKBCKFIF-MRXNPFEDSA-N 362.441 2.019 30 50 FEEA N#Cc1ccc(CCC(=O)N2CCNC(=O)[C@H]2c2ccccc2F)cc1 378648320 SKJXYHSICOHPPJ-LJQANCHMSA-N 351.381 2.330 30 50 FEEA C=CCNC(=O)COc1ccc(S(=O)(=O)N[C@H](C)c2ccccc2)cc1 2838585 WYJDAMBXUNVNOG-OAHLLOKOSA-N 374.462 2.407 30 50 FEEA Cc1nc(C/N=C(/O)N(C)C[C@@H]2C[C@H](F)CN2Cc2cccs2)no1 328621481 ANYYJLCUIWWQTQ-STQMWFEESA-N 367.450 2.398 30 50 FEEA Cc1nnc(N(C)C[C@@H]2CCCN(C)[C@H]2c2cnn(C)c2)c(C#N)c1C 328626895 MEBULAGVRVOKHQ-MAUKXSAKSA-N 353.474 2.218 30 50 FEEA COC(=O)[C@@H](/C=N/OCc1ccc([N+](=O)[O-])cc1)NC(=O)c1ccccc1 5209667 RYBDGPZAUQWHPT-YDDPGSGASA-N 371.349 2.069 30 50 FEEA COc1ccc([C@@H]2CCN(S(=O)(=O)c3cnc(C)c(C#N)c3)C2)cc1 331163030 ROFHCPRFFZPMBW-OAHLLOKOSA-N 357.435 2.449 30 50 FEEA Cc1noc(C)c1CCCNC(=O)N1CCN(c2ncccc2C#N)CC1 84892912 CSGLNGOUNSZOMB-UHFFFAOYSA-N 368.441 2.023 30 50 FEEA COCC(=O)N1CCC[C@@H](C(=O)N2CCC(c3cccc(C#N)c3)CC2)C1 95389073 RNECPOFYNIIQST-LJQANCHMSA-N 369.465 2.149 30 50 FEEA O=C1[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C[C@@H]34)[C@H]2C(=O)N1/N=C/c1cc2c(cc1Cl)OCO2 253390212 JTXWSZAFELZYOI-WZLHGBBASA-N 370.792 2.456 30 50 FEEA C=CC(=O)N(C)c1ccc(C(=O)N2CCC3(CC2)CC(=O)C=CO3)cc1 2325890031 UPQWVXPTXHTPEN-UHFFFAOYSA-N 354.406 2.313 30 50 FEEA O=C(O)c1ccccc1N[C@@H]1C=CC(=O)[C@@H]1Nc1ccccc1C(=O)O 4663740 VUEWEFGPBIWPIJ-NVXWUHKLSA-N 352.346 2.483 30 50 FEEA CC(C)(C)n1cc(/C(O)=N/[C@@H]2CC(=O)N([C@@H]3C[C@@H]3c3ccccc3)C2)nn1 330118778 YZMNFIGIAGDIEO-BFYDXBDKSA-N 367.453 2.495 30 50 FEEA C=CCn1cc(CN2CCC(C(=O)O)(n3ccc(C(C)C)n3)CC2)cn1 72421478 DAUWJSYIYBDCIX-UHFFFAOYSA-N 357.458 2.465 30 50 FEEA CCN1CCN(C[C@@H]2C(=O)O[C@@H]3C[C@@]4(C)CCC[C@H](C)[C@]45O[C@H]5[C@@H]32)CC1 252694719 OURZJOAJOVHDAD-VFFFDHNBSA-N 362.514 2.149 30 50 FEEA biogenic C=CCc1cc(C(=O)N2C[C@@H](O)[C@H](Cc3cc(C)[nH]n3)C2)ccc1OC 1704354266 ZGZUDNBBBXVPIZ-SJLPKXTDSA-N 355.438 2.131 30 50 FEEA N#Cc1cccc(N2CCCN(C(=O)c3scc4c3OCCO4)CC2)n1 1772812630 MRTQWVBPUCRIJZ-UHFFFAOYSA-N 370.434 2.138 30 50 FEEA N#CC1(c2ccccc2)CCN(C(=O)c2cc(=O)nc3sccn23)CC1 216433752 DGBCEWJHLFJZFA-UHFFFAOYSA-N 364.430 2.454 30 50 FEEA Cc1ccc(S(=O)(=O)OC[C@H]2CN(C(=O)OC(C)(C)C)CCO2)cc1 82046447 LOBHRXDXENCDIZ-CQSZACIVSA-N 371.455 2.336 30 50 FEEA in-vitro Cc1cccc(N2CCN(CC[C@H](C)NCc3c(C#N)ncn3C)CC2)c1 2325788967 WHLAVWKDAQCXQZ-SFHVURJKSA-N 366.513 2.291 30 50 FEEA CC(C)Cc1ccc(C#N)c(N2CCN(CCNC(=O)C(C)C)CC2)n1 2325867511 YKHFDNYLZIKPGG-UHFFFAOYSA-N 357.502 2.046 30 50 FEEA CN1CCN(C(=O)c2cccc(F)c2C#N)C[C@H]1c1nc(C2CC2)no1 375369699 YIWVJQWMDLNAPV-HNNXBMFYSA-N 355.373 2.087 30 50 FEEA Cc1nn(C)c(NCC2(c3ccc4c(c3)OCO4)CCOCC2)c1C#N 1875257381 PNJQYPQUZMQNKK-UHFFFAOYSA-N 354.410 2.489 30 50 FEEA CC[C@]1(C2CCN(c3nc4c(cc3C#N)CCCC4)CC2)NC(=O)NC1=O 67847498 VUHIEMOOSDVRMF-HXUWFJFHSA-N 367.453 2.037 30 50 FEEA CC(C)(O)C#Cc1ccc(C(=O)N2CCC([C@@H](O)c3ccccn3)CC2)o1 952966597 VLGABZYOQMYFRC-LJQANCHMSA-N 368.433 2.383 30 50 FEEA Oc1cccc(/C=N/Nc2nc(N3CCCC3)nc(N3CCCC3)n2)c1 5007904 MMURWQDCHJYWKX-CPNJWEJPSA-N 353.430 2.224 30 50 FEEA Cc1nsc(N2CC[C@H]3CC[C@H](NC(=O)c4cnc[nH]4)[C@H]2C3)c1C#N 1875407977 LOJSUEWFDJFMLH-OSAQELSMSA-N 356.455 2.224 30 50 FEEA C#CCCC1(CCNC(=O)[C@@]2(NC(C)=O)CCCc3ccccc32)N=N1 2325891167 UVNVWYBLGFNCAD-HXUWFJFHSA-N 352.438 2.436 30 50 FEEA C=CCn1c(SCC(=O)Nc2nnc(C)s2)nnc1-c1ccncc1 6726002 MPOWKQWYHBZPNM-UHFFFAOYSA-N 373.467 2.417 30 50 FEEA N#Cc1c(N)nc2c(c1-c1ccsc1)CN(C(=O)[C@@H]1CCCO1)CC2 72165046 JJLKILAISHOUGY-HNNXBMFYSA-N 354.435 2.328 30 50 FEEA C=CC[N@@+]12[C@H]3C[C@@]45c6ccccc6N(C)[C@H]4[C@@H]1C[C@@H]([C@H](CC)[C@H]2O)[C@H]3[C@@H]5O 252461276 LSVIWPNZJIGKRQ-RKXHOSSXSA-N 367.513 2.255 30 50 FEEA biogenic C=CCn1c(C)nnc1SCC(=O)N1CCN(c2ccccc2)CC1 12851261 AVSDPTLUHMYJCI-UHFFFAOYSA-N 357.483 2.213 30 50 FEEA CN(C[C@H]1OCC[C@H]1c1nc[nH]n1)c1nc(C(F)(F)F)ccc1C#N 952890442 UEXMOMDPJCBJLO-GHMZBOCLSA-N 352.320 2.099 30 50 FEEA N#Cc1ccnc(N2CCCO[C@@H](CNC(=O)c3cccc(F)c3)C2)c1 888103713 UYWBKZUWBHUZQD-KRWDZBQOSA-N 354.385 2.118 30 50 FEEA N#C[C@H]1CN(C(=O)Cc2cn3ccccc3n2)CCN1Cc1ccccc1 364771133 STEWYTHJCIOXML-IBGZPJMESA-N 359.433 2.113 30 50 FEEA COC(=O)NC[C@@H]1C[C@H](F)CN1C(=O)CC1=C(c2ccccc2)CCC1=O 82137031 VBCBXOOJGRBUCU-GJZGRUSLSA-N 374.412 2.488 30 50 FEEA C=CCn1nc(C(=O)N(C)C)c2c1CC[C@@H](NCc1ccccc1OC)C2 14752140 CTUDQDAZWATXSP-MRXNPFEDSA-N 368.481 2.427 30 50 FEEA C=CCOc1ccccc1CN1CCN(C2CCN(C)CC2)[C@H](CCO)C1 104332538 HIRUFTJPSUKHAP-OAQYLSRUSA-N 373.541 2.214 30 50 FEEA N#CC1(c2ccccc2)CCN(C(=O)c2ccnc(-n3cnnc3)c2)CC1 97413380 JSILWQJOXPSYGM-UHFFFAOYSA-N 358.405 2.360 30 50 FEEA COCCN1CC2(CCC1=O)CCN(c1cc(C)c(C#N)c(C)n1)CC2 91914611 JWPPCOGXCJREBJ-UHFFFAOYSA-N 356.470 2.426 30 50 FEEA CO[C@H](C)c1nsc(N2C[C@@H](C#N)[C@]3(C2)C(=O)Nc2ccccc23)n1 367164243 GVRVLFBTRZZBLC-AGKHESDQSA-N 355.423 2.095 30 50 FEEA COc1ccccc1O[C@@H]1CCCN(S(=O)(=O)c2cncc(C#N)c2)C1 290183945 RESVGPAVLRJUIQ-OAHLLOKOSA-N 373.434 2.194 30 50 FEEA CCN1CCC[C@@H](CN(C)C(=O)c2ccc(C#N)cn2)[C@@H]1c1cnn(C)c1 328627755 NBAAIPIMGHBQDK-QFBILLFUSA-N 366.469 2.232 30 50 FEEA CN(C)c1ccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2CCO)cc1 4095386 AWQTVEQODUENGY-GOSISDBHSA-N 366.417 2.323 30 50 FEEA C[C@@H](C(O)=Nc1ncccn1)N(C)C[C@@H]1CCCN(C)[C@H]1c1cnn(C)c1 328636925 OIWDXMRXCASHBO-YQQAZPJKSA-N 371.489 2.202 30 50 FEEA CC[C@H](COC)/N=C(/O)N(C)C[C@@H]1CCCN(C)[C@H]1c1cnn(C)c1 328633042 SHUBRDLRTMLJKQ-USXIJHARSA-N 351.495 2.074 30 50 FEEA Cc1n[nH]c(C)c1-c1cc(-c2ccccc2OCC(N)=O)nc(N)c1C#N 71750582 UJITWUDEYIVVJM-UHFFFAOYSA-N 362.393 2.074 30 50 FEEA C[C@H]1CN(c2ccc(C#N)cc2)C(=O)CN1C(=O)CSc1ccncc1 82115090 ZTISJMLLEUSROL-AWEZNQCLSA-N 366.446 2.309 30 50 FEEA C=CC[N@@+]12[C@H]3C[C@]45c6ccccc6N(C)[C@H]4[C@@H]1C[C@@H]([C@@H]3[C@H]5O)[C@@H](CC)[C@H]2O 252441241 LSVIWPNZJIGKRQ-UIFFETLCSA-N 367.513 2.255 30 50 FEEA Cc1nc(CNC(=O)c2ccc(C#CC(C)(C)O)o2)nc2c1CCCC2 952985631 IRORYQCOJJWQDF-UHFFFAOYSA-N 353.422 2.309 30 50 FEEA C#CCn1c(C)cc(C(=O)N2CCn3cc(C(=O)OCC)cc3C2)c1C 2325804862 YCCKOURBIRTYCN-UHFFFAOYSA-N 353.422 2.372 30 50 FEEA C#CCCC1(CCNC(=O)CN2CCc3cc(OC)c(OC)cc3C2)N=N1 2325891042 NDVBHDSCQZAFSS-UHFFFAOYSA-N 370.453 2.144 30 50 FEEA O=C1CC[C@H]([C@@H]2CCC/C2=N\Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])[C@H]1O 4795254 WNGQDXDLPCVOHD-QFBPKLGSSA-N 362.342 2.411 30 50 FEEA C[C@]12[C@H]3C=C[C@@H]([C@@H]1[C@]14CCCC[C@]12O4)n1c(=O)n(-c2ccccc2)c(=O)n13 44143985 ICMDFULXSWOZPR-CLNCKLIYSA-N 363.417 2.184 30 50 FEEA CC(C)n1cc([C@@]2(O)CCCN(CCOc3ccccc3C#N)C2)nn1 284758149 YCSWMRAASRWXDY-LJQANCHMSA-N 355.442 2.093 30 50 FEEA N#Cc1ccc(CC(=O)Nc2cccc(N3CCCS3(=O)=O)c2)cc1 194738251 GPSDOHFQQVDNGI-UHFFFAOYSA-N 355.419 2.279 30 50 FEEA C#C/C(=C\c1ccc(-c2ccc(F)cc2)o1)C(=O)N[C@H]1CCS(=O)(=O)C1 1775953660 AUHXPFPBEPEGIE-BYIUCRAPSA-N 373.405 2.406 30 50 FEEA C#CCCC1(CCC(=O)N[C@H]2C[C@H](S(=O)(=O)c3ccccc3)C2)N=N1 1875368591 CPVOKGXPRAEXEV-KOMQPUFPSA-N 359.451 2.463 30 50 FEEA C#CCN(CC=C)Cc1ccc(OC)cc1OC[C@H](O)CN1CCCC1 55198819 LZHTZQRAJKPIRQ-LJQANCHMSA-N 358.482 2.152 30 50 FEEA CN(C[C@@H]1CCc2nc(C(F)(F)F)cn2C1)/C(O)=N/C[C@H]1CCOC1 328636637 VPRVEHHDUTZYCI-NEPJUHHUSA-N 360.380 2.347 30 50 FEEA COCCN(CC#Cc1ccccc1)C(=O)CSc1nnc(C)s1 55107939 VNNYTTRNDPUZFD-UHFFFAOYSA-N 361.492 2.465 30 50 FEEA C=CCn1nc(C)c(C(=O)N2CCN(C(=O)c3ccccc3)CC2)c1C 55036513 GGNAJBRSSYCVCA-UHFFFAOYSA-N 352.438 2.284 30 50 FEEA C=C(C)CN(C)C[C@@]1(O)CCCN(Cc2cccc(OC)c2OC)C1=O 67489672 XVGQDUUDNLBOQH-FQEVSTJZSA-N 362.470 2.065 30 50 FEEA COc1ccc(CN(Cc2cn3c(n2)CCCC3)S(C)(=O)=O)cc1C#N 328630194 POFHXRHQYSXPNV-UHFFFAOYSA-N 374.466 2.061 30 50 FEEA C=CCN1C[C@@]2(C(=O)O)CN(c3cc(C)c4ccc(F)cc4n3)C[C@H]2C1=O 77470567 TWYCYKAUIDNDBE-MGPUTAFESA-N 369.396 2.218 30 50 FEEA C=CCn1c(-c2cc(C)oc2C)cn2cc(C(=O)NCCF)nc2c1=O 72458658 QWBGVJVMQOOGLZ-UHFFFAOYSA-N 358.373 2.258 30 50 FEEA CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)N1CCN(Cc2cccc(F)c2)CC1 330568375 LVIOFCHSINQVNZ-OXQOHEQNSA-N 360.477 2.386 30 50 FEEA O=C(O)CN(CC1CC1)C1CC(/N=C(/O)Cc2cn3ccccc3n2)C1 328638187 PAYHWOZAAVTCPL-UHFFFAOYSA-N 356.426 2.161 30 50 FEEA N#Cc1ccc(N2CCC[C@]3(CCC(=O)N(CCc4c[nH]cn4)C3)C2)nc1 77489027 MFMHDDFNVQWMKI-FQEVSTJZSA-N 364.453 2.128 30 50 FEEA CC(C)[C@H](C#N)N1CCN(C(=O)CN(C)[C@H]2CCc3ccccc32)CC1 242304995 YTXTWHVHBBVZSB-PMACEKPBSA-N 354.498 2.298 30 50 FEEA N#Cc1nc(O)n(-c2ccccc2)c(=N)c1N=Cc1ccc2c(c1)OCO2 253530006 DMERIEOSTOEQSO-UHFFFAOYSA-N 359.345 2.408 30 50 FEEA C=CC[N@@+]12[C@H]3C[C@@]45c6ccccc6N(C)[C@H]4[C@@H]1C[C@@H]([C@H](CC)[C@H]2O)[C@H]3[C@H]5O 252461275 LSVIWPNZJIGKRQ-QVFMIYKMSA-N 367.513 2.255 30 50 FEEA biogenic Cc1cc(C(N)=O)c(NC2CCN(c3ncccc3C#N)CC2)nc1C 1704305962 YEGFKYUWQYUINF-UHFFFAOYSA-N 350.426 2.145 30 50 FEEA CC(C)[C@@H]1N(c2cnc(C#N)cn2)CC12CCN(C(=O)[C@@H]1C[C@H]1C)CC2 1875408408 VTBZAMJLMQYDIO-KYJSFNMBSA-N 353.470 2.458 30 50 FEEA Cc1nc([C@@H]2CCCN2/C(O)=N/Cc2nccn2CC(F)(F)F)no1 329418579 ZTOQFMIQZHLSPE-JTQLQIEISA-N 358.324 2.388 30 50 FEEA CCCn1ncc(-c2c(C#N)c(N)nc3c2CN(C(=O)C2CC2)CC3)c1C 72144065 VOKSWSGBFXOLGG-UHFFFAOYSA-N 364.453 2.412 30 50 FEEA O=C1CCC(c2ccccc2)=C1CC(=O)N1CC[C@H]2NCCC[C@]2(CO)C1 72152635 UXXVDIHHYSGYGF-IFMALSPDSA-N 368.477 2.156 30 50 FEEA CC(C)(C)NS(=O)(=O)c1ccc(NC(=O)c2sccc2C#N)nc1 160955409 BPPJZPJKZYMTFM-UHFFFAOYSA-N 364.452 2.344 30 50 FEEA Cn1c(CN2CCCC2)nnc1C1CCN(c2cccc(C#N)n2)CC1 96163533 BEHOMEAHDTUQEL-UHFFFAOYSA-N 351.458 2.062 30 50 FEEA COc1ccc(O[C@@H](C)C(=O)O/N=C(\N)c2ccc(OC)c(OC)c2)cc1 5059456 OJSUXBXTZOUEKC-LBPRGKRZSA-N 374.393 2.343 30 50 FEEA C[C@]1(F)CN(C(=O)[C@@]23CCCC[C@@H]2C3)CCN(c2cnc(C#N)cn2)C1 1875405255 BEXJEHVGDXPPSP-NIKGAXFTSA-N 357.433 2.305 30 50 FEEA CCn1cc([C@@H]2OCCC[C@H]2CNC(=O)c2ccc(C#N)c(C)n2)cn1 886094997 JXIJZGFCUGCSHR-MAUKXSAKSA-N 353.426 2.376 30 50 FEEA C#CCCC1(CCNC(=O)[C@H](C)N2C(=O)c3ccc(C)cc3C2=O)N=N1 2325891235 ZOSUUDDPWVCVPZ-ZDUSSCGKSA-N 352.394 2.061 30 50 FEEA CC(C)=CCN1CCN(Cc2ccc(C#CCCO)cc2)C[C@H]1CCO 104491200 DVPNCROACUDKKC-JOCHJYFZSA-N 356.510 2.255 30 50 FEEA COc1ccc([C@H]2c3c(-c4ccccc4)nc(N)n3NC(=O)[C@H]2C#N)cc1 409417354 DYXUCRNHNCKTGL-JKSUJKDBSA-N 359.389 2.496 30 50 FEEA CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)[C@H]2COc3ccccc32)C1 241911224 UASSEQSMEWBRER-AEGPPILISA-N 357.410 2.038 30 50 FEEA Cc1cc(C)nc(S[C@H](C)C(=O)N2CCCn3nc(C#N)cc3C2)n1 584887154 YFHDZEAPDNQCKW-CYBMUJFWSA-N 356.455 2.075 30 50 FEEA CC1CCN(c2ccc(/C=N/N=C3\NC(=O)CS3)cc2[N+](=O)[O-])CC1 4059159 RWYOHHKRYKCUMH-RQZCQDPDSA-N 361.427 2.384 30 50 FEEA CC(=O)NCc1cc(O[C@@H]2CCN(Cc3ccccc3C#N)C2)ccn1 886027464 YRPFUBGKOOFSCV-HXUWFJFHSA-N 350.422 2.243 30 50 FEEA Cc1csc([C@H]2CSCCN2Cc2cc(O)n3ncc(C#N)c3n2)n1 2325803834 FKASBHRBKDHQFH-CYBMUJFWSA-N 372.479 2.362 30 50 FEEA C=C(C)CN(CC)C(=O)C[C@@H]1COc2ccc(C(=O)N(C)C)cc2N1C 67871305 DZRVEFIBVZYCIA-MRXNPFEDSA-N 359.470 2.400 30 50 FEEA N#Cc1ccc(C(=O)N2C[C@H]3CC[C@@H]2CN(C(=O)c2cccnc2)C3)cc1 91871893 PSFCCHZKYPRDPD-QFBILLFUSA-N 360.417 2.330 30 50 FEEA CN(C)CCn1ccnc1C1CCN(C(=O)c2ccc(C#N)cc2)CC1 91792750 HMIPWPNTLFTGPM-UHFFFAOYSA-N 351.454 2.336 30 50 FEEA CCC(=O)NCc1ccncc1O[C@H]1CCN(c2ccncc2C#N)C1 952849546 MPTSEENFBJFYMU-INIZCTEOSA-N 351.410 2.032 30 50 FEEA CCN1CCN(Cc2ccccc2CN=C2NC[C@H](C3CCCC3)N2)CC1 1875332069 BEMCJAFCARLFDJ-OAQYLSRUSA-N 369.557 2.432 30 50 FEEA C=C(C)Cn1c(=O)c2c(nc3oc(-c4ccc(F)cc4)cn32)n(C)c1=O 9789733 XGBRZLWYIYRAAG-UHFFFAOYSA-N 354.341 2.323 30 50 FEEA CCOc1ccc([C@@H]2CC(=O)NC3=C2C(=O)[C@@H](C(=O)OC)[C@@H](C)C3)cc1 16606617 CVMLNRLIEXHGDU-YLVFBTJISA-N 357.406 2.341 30 50 FEEA C#CCCC1(CCNC(=O)c2cc3nccc(C(F)(F)F)n3n2)N=N1 1875381082 KDDDAXZHVIWXEU-UHFFFAOYSA-N 350.304 2.444 30 50 FEEA Cc1cc(C(=O)N[C@H]2CCOC[C@@H]2Oc2ccc(C#N)cc2)c(C)n1C 1565527618 UIDJDAOBUPRKGO-OALUTQOASA-N 353.422 2.480 30 50 FEEA O=C(O)COc1ccccc1/C=N/n1c(-c2ccncc2)n[nH]c1=S 1257750 JVXVXFKGPWYHQT-GIJQJNRQSA-N 355.379 2.348 30 50 FEEA C=CCOc1ccc(NC(=O)[C@H]2CCCN(S(=O)(=O)CC)C2)cc1 65362464 CBNATVLXBUFCRL-AWEZNQCLSA-N 352.456 2.252 30 50 FEEA C=CCc1cc(CN2CC[C@@H]3[C@@H](CCC(=O)N3CCN)C2)ccc1OC 72418115 YGCZITJAXVNVOC-RBUKOAKNSA-N 357.498 2.195 30 50 FEEA Cc1nc(O)c(C#N)cc1C(=O)N[C@@H](c1ccc(F)cc1)[C@H]1C[C@@H](O)C1 253535590 HICJZFQMUZCPSQ-MJEQTWJJSA-N 355.369 2.348 30 50 FEEA CC(=O)N[C@H]1CC[C@H](C(F)(F)F)N(C(=O)c2ccc(F)c(C#N)c2)C1 330555304 DZYKADUKWZSPGI-GXTWGEPZSA-N 357.307 2.369 30 50 FEEA COc1ccc([C@H]2CN(c3nc(C)ccc3C#N)C[C@@H]2NC(C)=O)cc1 248098638 NIOSUYOHIIDDEP-MOPGFXCFSA-N 350.422 2.379 30 50 FEEA C[C@H](Oc1ccccc1C#N)C(=O)N1CCC(Nc2cccnn2)CC1 109638781 QJZNZGVNDMYXAT-AWEZNQCLSA-N 351.410 2.219 30 50 FEEA Cc1nccn1Cc1nnc(C2CCN(c3cccc(C#N)n3)CC2)n1C 91952394 YPMUXVCQIGCZGS-UHFFFAOYSA-N 362.441 2.019 30 50 FEEA CCCn1cc(C(=O)N[C@H]2CCOC[C@@H]2Oc2ccc(C#N)cc2)c(C)n1 1565510373 IWHLYRUHFCOIBE-OALUTQOASA-N 368.437 2.440 30 50 FEEA C#CCCC1(CCNC(=O)c2c(-c3cn(C)nn3)noc2C(F)F)N=N1 1875381850 JIXMAYBGGSARCF-UHFFFAOYSA-N 363.328 2.103 30 50 FEEA O=C1C2=C(Nc3[nH]c(=O)[nH]c(=O)c3[C@@H]2c2ccc(F)cc2)c2ccccc21 1302369 BOCNSTMQSGVTTA-CYBMUJFWSA-N 361.332 2.367 30 50 FEEA CCc1ccc([C@H](C/N=C(/O)N2CCC[C@H](NC(C)=O)C2)N(C)C)cc1 330470578 ATWFLUGWXMRRKM-OALUTQOASA-N 360.502 2.366 30 50 FEEA C=CCNc1nc2ccc(C)cn2c(=O)c1/C=C1\SC(=S)N(C)C1=O 2533776 YRFGCCAFEQGRSY-WQLSENKSSA-N 372.475 2.432 30 50 FEEA C#CCCC1(CCC(=O)N2CCCNC(=O)[C@@H]2Cc2ccccc2)N=N1 952883205 XQPUOHQDIUNJCY-KRWDZBQOSA-N 352.438 2.302 30 50 FEEA Cn1c(CN2CCCC2)nnc1[C@@H]1CCCN(c2cc(C#N)ccn2)C1 77523529 DDHVGWBJIKJPGC-MRXNPFEDSA-N 351.458 2.062 30 50 FEEA CO[C@H]1CN(C(C)C)C[C@@H]1NC(=O)N1CCC(C#N)(c2ccccc2)CC1 584892512 ALBSUNJZJFXTKQ-OALUTQOASA-N 370.497 2.361 30 50 FEEA CC(C)(C)c1nn2cnnc2n(/N=C/c2ccc3ccccc3c2O)c1=O 2598006 DBCAOOFAXIZXLO-UFFVCSGVSA-N 362.393 2.325 30 50 FEEA Cc1cc(Br)ccc1OCC(=O)O/N=C(\N)c1cccnc1 4200259 QAKKOUIPJNIYTM-UHFFFAOYSA-N 364.199 2.395 30 50 FEEA C=C(C)CN(CC)C(=O)C(O)=Nc1ccc(S(=O)(=O)[C@@H](C)C#N)cc1 328596764 ZTEXLJFCJQOCRS-ZDUSSCGKSA-N 363.439 2.385 30 50 FEEA Cc1ccc(O[C@H]2CCN(S(=O)(=O)Cc3cccc(C#N)c3)C2)cn1 328626459 LSFPVPZSLCNMJH-SFHVURJKSA-N 357.435 2.245 30 50 FEEA CCN1CCC[C@@H](CN(C)/C(O)=N/C[C@@H]2CCOC2)[C@@H]1c1cnn(C)c1 328633358 SNUZHVLTSIAQIW-XYJFISCASA-N 363.506 2.075 30 50 FEEA Cc1c(C(=O)N2CCC([C@@H](O)Cc3ccccc3)CC2)c[nH]c(=O)c1C#N 77486121 HXSFZAJEBCAEPZ-IBGZPJMESA-N 365.433 2.011 30 50 FEEA N#CC1(c2ccc(C(=O)N[C@@H]3C[C@H](Cn4ccnc4)C[C@H]3O)cc2)CC1 1875403051 OYWGYOJAGDZTEM-BMGDILEWSA-N 350.422 2.008 30 50 FEEA Cn1c(CN2CCCC2)nnc1C1CCN(c2cc(C#N)ccn2)CC1 77523503 DFTUNTPEPDVZSS-UHFFFAOYSA-N 351.458 2.062 30 50 FEEA CC(C)(C)OC(=O)N(CC(=O)ON1C(=O)c2ccccc2C1=O)C1CC1 1772784569 QSWXKQFEKVBRRC-UHFFFAOYSA-N 360.366 2.140 30 50 FEEA COc1ccccc1N1CCN(/N=C/c2ccccc2OCC(=O)O)CC1 1192249 ONGBFKZWJGUXKH-KGENOOAVSA-N 369.421 2.315 30 50 FEEA C#CCCC1(CCNC(=O)C2=NN(Cc3ccccc3)C(=O)CC2)N=N1 2325890992 KUOXIKQUOQQIQA-UHFFFAOYSA-N 351.410 2.247 30 50 FEEA C#CCCC1(CCNC(=O)c2cccc(NS(=O)(=O)C3CC3)c2)N=N1 2325891552 NXBOMYAWXQOQSR-UHFFFAOYSA-N 360.439 2.286 30 50 FEEA Cc1cnccc1N1CCCN(C(=O)c2ccc(C#CC(C)(C)O)o2)CC1 1506428211 OAKDQJBKUXKGSW-UHFFFAOYSA-N 367.449 2.458 30 50 FEEA COc1ccc(/C(O)=N/[C@H]2CC(=O)N(C(C)C)C2=O)cc1Br 331220251 UGVOTNNYTJKZNL-NSHDSACASA-N 369.215 2.298 30 50 FEEA C#CCCC1(CCC(=O)N(CCn2ccnc2)Cc2cnn(C)c2)N=N1 2325892479 OPMNQMJQGVVIAI-UHFFFAOYSA-N 353.430 2.001 30 50 FEEA C=CCn1c(CN2CCN(C)C3(CCN(C)CC3)C2)nc2ccccc21 67675461 UPNKTPUNGYEQCS-UHFFFAOYSA-N 353.514 2.434 30 50 FEEA Fc1ccc(/C=N/N=C(c2ccccc2)C23CN4CN(CN(C4)C2)C3)cc1 252320581 BJTNXUMNDNDFOK-DKMUQWEUSA-N 363.440 2.455 30 50 FEEA Cc1nc(CC(=O)N2CCCN(Cc3cc(C#N)n(C)c3C)CC2)cs1 1775982014 ZXMYQOANCPUOIB-UHFFFAOYSA-N 371.510 2.247 30 50 FEEA COCc1cc(C)n(CC(=O)Nc2ccc(C(C)=O)cc2)c(=O)c1C#N 719928 BOQAAMSZBFLGHX-UHFFFAOYSA-N 353.378 2.016 30 50 FEEA Cc1nc(CN2C[C@@H](F)C[C@H]2C/N=C(/O)CCc2nc[nH]n2)cs1 328649361 VASCPBXDJWQOGP-AAEUAGOBSA-N 352.439 2.071 30 50 FEEA COc1ccc(/C=N/N2C(=O)[C@@H]3[C@H]4C=C[C@@H]([C@@H]5C[C@@H]45)[C@H]3C2=O)c(OC)c1 245226643 HCKZNPLHWXTKAE-MEJLAEGVSA-N 352.390 2.091 30 50 FEEA CCCN(CC#Cc1ccccc1)C(=O)c1ccc(S(N)(=O)=O)cc1 55327901 QNANAQDEPUUMTI-UHFFFAOYSA-N 356.447 2.238 30 50 FEEA C#C[C@@](C)(CC)NC(=O)[C@@H](C)n1nc([N+](=O)[O-])c(Br)c1C 1073220 LUDDUTYTPRRTAB-RNCFNFMXSA-N 357.208 2.341 30 50 FEEA C=C(C)CN(CC)C(=O)C(O)=Nc1ccc(S(=O)(=O)[C@H](C)C#N)cc1 328596763 ZTEXLJFCJQOCRS-CYBMUJFWSA-N 363.439 2.385 30 50 FEEA N#Cc1ccc(O[C@@H]2COCC[C@H]2NC(=O)c2cc(C3CC3)n[nH]2)cc1 219220480 DGPLUCIDOFKUII-CRAIPNDOSA-N 352.394 2.125 30 50 FEEA O=C1Nc2ccccc2/C1=N/NS(=O)(=O)c1ccc2ccccc2c1 16310520 ABUKBRJPKMJQKS-UHFFFAOYSA-N 351.387 2.475 30 50 FEEA C#CC[C@@H]1NC(=O)N(C[C@H](O)Cn2c3ccccc3c3ccccc32)C1=O 225437217 WBBZYXQLBJPLFD-PBHICJAKSA-N 361.401 2.099 30 50 FEEA COc1ccc([C@@H]2C[C@@H]2C(=O)NS(=O)(=O)Cc2ccccc2C#N)cc1 170617024 SIOFJTNPQPNODW-ROUUACIJSA-N 370.430 2.317 30 50 FEEA C#CCCC1(CCNC(=O)c2ccn3cc(-c4cnn(C)c4)nc3c2)N=N1 2325887288 BVTPLPIIEWWETK-UHFFFAOYSA-N 361.409 2.430 30 50 FEEA C=CCOc1cccc(CN2CC[C@@H]3[C@@H](CCC(=O)N3CCCO)C2)c1 72479009 ILTOEWRONDQNPO-AZUAARDMSA-N 358.482 2.447 30 50 FEEA CCN(CCc1nc2ccc(OC)cc2[nH]1)C(=O)c1cc(C#N)cn1C 215169260 IKNMXILEOXELQL-UHFFFAOYSA-N 351.410 2.486 30 50 FEEA CC(C)(C(=O)NS(=O)(=O)c1ccc(Cl)cn1)c1cccc(C#N)c1 170645721 NUGICJFWJOUXIR-UHFFFAOYSA-N 363.826 2.389 30 50 FEEA CCC[C@H]1COC[C@H]2CN(C(=O)c3cccc(C#CC(C)(C)O)c3)CCN12 1529109488 AOCTVKXBOKWBIV-VQTJNVASSA-N 370.493 2.134 30 50 FEEA C=CCn1nc(C(=O)N2CCSCC2)c2c1CC[C@H](NCC(C)C)C2 14752727 QSVQIIDGRUUYBK-HNNXBMFYSA-N 362.543 2.361 30 50 FEEA C/C(=N\Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(C)(C)C(C(=O)O)C(=O)O 8829824 LVBKNWLXGXLVSI-VIZOYTHASA-N 368.302 2.102 30 50 FEEA N#Cc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)N2CCCN2[C@H]3c2ccccc2)cc1 247645569 KBSZIIDSUPTJLQ-GBESFXJTSA-N 358.401 2.094 30 50 FEEA C=CCCC(=O)N1C[C@@H]2[C@H](CNC(=O)c3ncccc3C)[C@H]3CC[C@]2(C1)O3 1857719496 NIVVYLDKWARMMP-BIZBXSGISA-N 369.465 2.092 30 50 FEEA C#CCCC1(CCC(=O)N2CCOc3ccccc3[C@@H]2C(=O)OC)N=N1 2325885756 RTVHPPVLGSLVGZ-QGZVFWFLSA-N 355.394 2.477 30 50 FEEA COc1ccc([C@@H]2C3=C(CCCC3=O)Nc3ncnn32)c(OC)c1OC 4716063 JYOIESCRKHJHJE-OAHLLOKOSA-N 356.382 2.326 30 50 FEEA CC(C)c1noc([C@H](N/C(O)=N/CCn2cccn2)C2CCOCC2)n1 328637999 WGUBDQSBTOLCNB-CQSZACIVSA-N 362.434 2.061 30 50 FEEA COc1ccccc1/N=C1\NC(=N)N[C@H](c2ccc(OC)c(OC)c2)N1 5275103 OPLALQAGCPXUSD-INIZCTEOSA-N 355.398 2.116 30 50 FEEA C=CCN(Cc1ccc(Cl)s1)C(=O)C(=O)Nc1ncc(OC)cn1 328596691 QBZCWZQERQNKOI-UHFFFAOYSA-N 366.830 2.353 30 50 FEEA CC#CCN1C(=O)N[C@](Cc2cccc(F)c2)(C2CCN(C)CC2)C1=O 12212909 MLTGMHAESAVQKF-HXUWFJFHSA-N 357.429 2.024 30 50 FEEA C[C@H]1C[C@@H]1C(=O)N[C@@H]1C[C@H](Nc2ncc(C#N)cc2F)C12CCOCC2 1875407930 KIABDTKWXILIFP-DLKVLKDVSA-N 358.417 2.214 30 50 FEEA C#C[C@](C)(CC)NC(=O)Cn1nnc(-c2ccc(C(F)(F)F)cc2)n1 4717411 DMPUBBITUFNCFR-OAHLLOKOSA-N 351.332 2.277 30 50 FEEA N#CC1(C(=O)N2CC[C@@H]3[C@@H](CCC(=O)N3CCc3ccccc3)C2)CC1 72478797 KXCPORLXGKHBDL-ZWKOTPCHSA-N 351.450 2.372 30 50 FEEA Cc1nc(CN(C)[C@H]2CCCN(C(=O)c3sccc3C#N)CC2)no1 328631754 KVVQSSVABUQXOE-AWEZNQCLSA-N 359.455 2.438 30 50 FEEA N/C(=N/CCNC(=O)c1ccc(Br)cc1)NC1CCCC1 261882901 RITDUQZMMMIMGQ-UHFFFAOYSA-N 353.264 2.026 30 50 FEEA N#Cc1ccccc1S(=O)(=O)N1CCCC[C@@H]1CCN1CCCC1=O 77339216 BTXDCOHQOKTGQH-MRXNPFEDSA-N 361.467 2.114 30 50 FEEA COC(C)(C)C(=O)[C@H](CC#CCN1CCOCC1)C(=O)c1ccccc1 105437768 OBQCKBXSBCUYOQ-GOSISDBHSA-N 357.450 2.205 30 50 FEEA CC/N=C(/O)N1CCC(N(CC(=O)O)Cc2ccc(F)cc2F)CC1 328602324 BCOQPQAODYILCF-UHFFFAOYSA-N 355.385 2.250 30 50 FEEA CN(C)CCN1C[C@@]2(CCCN(Cc3cccc(C#N)c3)C2)CCC1=O 92062359 YRNWOIXXUKDRMC-NRFANRHFSA-N 354.498 2.324 30 50 FEEA Cc1nn(C)c(C)c1CCC(=O)NC1CCN(c2ncccc2C#N)CC1 952976877 VAFSIXIEZBEVMZ-UHFFFAOYSA-N 366.469 2.021 30 50 FEEA CC(C)c1nc([C@H]2CN(C(=O)c3ccnc(C#N)c3)C[C@@H]2C2CC2)n[nH]1 952849222 STZSBSKCDDMDLM-CVEARBPZSA-N 350.426 2.461 30 50 FEEA N#Cc1ccc(CS(=O)(=O)CC(=O)N[C@@H]2C[C@H]3C[C@H]2[C@H]2CCC[C@@H]23)cc1 247656091 PHFLLIBTCDYGSH-ZSXDVEMLSA-N 372.490 2.414 30 50 FEEA C=CCNC(=O)[C@H]1CCCN(S(=O)(=O)Cc2cccc(Cl)c2)C1 19860078 VGPVTUQOFWBHGL-AWEZNQCLSA-N 356.875 2.184 30 50 FEEA CCn1cc(-c2c(C#N)c(N)nc3c2CN(c2ncccn2)CC3)cc1C#N 72147875 PCMKSNBUYBIAHA-UHFFFAOYSA-N 370.420 2.248 30 50 FEEA Cn1c(CN2CCCCC2)nnc1[C@H]1CCCN(c2cccc(C#N)n2)C1 72408735 ZRIYAJNDGOMOIZ-INIZCTEOSA-N 365.485 2.452 30 50 FEEA Cn1cc(C#N)cc1C(=O)Nc1cc2nc(O)[nH]c2cc1N1CCCC1 952974948 NSPMBDCFFNULLY-UHFFFAOYSA-N 350.382 2.331 30 50 FEEA N#Cc1cccc(S(=O)(=O)N[C@H]2CCOC[C@@H]2OCc2ccccc2)c1 1565516903 YUPMBYXKJCMHBV-OALUTQOASA-N 372.446 2.211 30 50 FEEA COc1ccc(O[C@H](C)C(=O)O/N=C(\N)c2ccc([N+](=O)[O-])cc2)cc1 5014230 DDXBSLCUHFIWHZ-LLVKDONJSA-N 359.338 2.234 30 50 FEEA C=CCn1c(COc2cccc3ccc(C)nc23)nnc1SCC(N)=O 1113558 HCRIJAADNQZZJZ-UHFFFAOYSA-N 369.450 2.477 30 50 FEEA Cc1cc(S(=O)(=O)N2CCN([C@@H]3CC[C@@H](C#N)C3)CC2)c(C)s1 241132900 JMZDWWRQXKGWNA-HUUCEWRRSA-N 353.513 2.364 30 50 FEEA CN(C)Cc1ccc(S(=O)(=O)Nc2nn(C(C)(C)C)cc2C#N)cc1 170609263 LGKMXOIPHOAPIQ-UHFFFAOYSA-N 361.471 2.372 30 50 FEEA C#CC[C@]1(C(=O)NCC(C)(C)CN(C)C)CCCN1C(=O)OC(C)(C)C 253422972 OAIHOTHALLQEKG-HXUWFJFHSA-N 365.518 2.483 30 50 FEEA CS(=O)(=O)O/N=C1\CCCC[C@H]1c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 12953053 AOJPYDQDIMVJSV-OKQWNRDOSA-N 357.344 2.493 30 50 FEEA C=C(C)CNC(=O)[C@@H]1CCCN(C2CCN(Cc3ccncc3)CC2)C1 11664915 NGSAEUQWMQZPHC-LJQANCHMSA-N 356.514 2.450 30 50 FEEA COc1ccc(C(=O)C2=C(O)C(=O)N(CC(=O)O)[C@H]2c2ccccc2)cc1 17249589 SLSADYNITBXPOO-KRWDZBQOSA-N 367.357 2.358 30 50 FEEA C=CCOc1ccccc1CN1CCN(C2CCN(C)CC2)[C@@H](CCO)C1 19840003 HIRUFTJPSUKHAP-NRFANRHFSA-N 373.541 2.214 30 50 FEEA C#CCN(C)CCCNC(=O)N1CC(C)(C)[C@@H]1c1nccn1CC1CC1 952894361 ZSYBNDGTJZMKFV-KRWDZBQOSA-N 357.502 2.341 30 50 FEEA CCn1cc([C@H]2OCCC[C@@H]2NS(=O)(=O)Cc2cccc(C#N)c2)cn1 328627949 NFKIXGCCLNSLNN-ZWKOTPCHSA-N 374.466 2.114 30 50 FEEA CC(C)n1cc([C@@H]2CN(C(=O)Cc3ccc(C#N)cc3)C[C@H]2CO)cn1 284836626 JOJJRTQGJALBQV-OALUTQOASA-N 352.438 2.113 30 50 FEEA C#CCOc1cc(C(=O)N2CCN(C)C(=O)[C@@H]2CCCC)ccc1OC 952983142 OCAKCXZJOCDAME-INIZCTEOSA-N 358.438 2.180 30 50 FEEA COc1cccc(/C=N/c2cnn(C)c2C(=O)NCc2ccco2)c1O 2797715 IMGAEGPVMSLNAX-DJKKODMXSA-N 354.366 2.408 30 50 FEEA Cc1nccn1Cc1nnc([C@@H]2CCCN(c3cc(C#N)ccn3)C2)n1C 95383731 HTFAGESUINFLQC-MRXNPFEDSA-N 362.441 2.019 30 50 FEEA CN(C)[C@@H](C(=O)N1CCN(c2ncccc2C#N)CC1)c1cccc(F)c1 91604618 HBHBSTDXRDACFX-GOSISDBHSA-N 367.428 2.044 30 50 FEEA CC(C)CN/C(=N/Cc1cccs1)[C@@H](C#N)C(=O)Nc1ccnn1C 225503633 AOBFIGXTWAUNEH-CQSZACIVSA-N 358.471 2.404 30 50 FEEA N#Cc1cccnc1N1CCC[C@]2(CCC(=O)N(CCc3c[nH]cn3)C2)C1 77419123 DWXDPFYIOIRNTD-HXUWFJFHSA-N 364.453 2.128 30 50 FEEA N#Cc1ccc(-c2nnc3n2C[C@]2(CCN(c4nccs4)C2)OC3)cc1 1772707359 YNHFENNFOHMPRX-GOSISDBHSA-N 364.434 2.453 30 50 FEEA C=C(C)CN(CC)C(=O)C[C@H]1C(=O)NCCN1Cc1ccccc1OCC 15077964 IJBRMCSGLNTOJH-SFHVURJKSA-N 373.497 2.200 30 50 FEEA C=CCOc1ccccc1CN(CC)C(=O)C1CCS(=O)(=O)CC1 55042195 LCXPFZXJBOCFBV-UHFFFAOYSA-N 351.468 2.425 30 50 FEEA C=CCSc1nc2c(c(=O)[nH]1)[C@@H](c1ccccc1[N+](=O)[O-])CC(=O)N2 111968856 MDDUUYOKOJMPET-SNVBAGLBSA-N 358.379 2.430 30 50 FEEA CCC[C@H]1CN(Cc2cccnc2)C[C@@H]1NC(=O)C1(C#N)CCOCC1 91997162 DQDKOTSNNRLBEQ-ROUUACIJSA-N 356.470 2.119 30 50 FEEA Cn1ccc(/C(O)=N/C[C@H]2CCc3nc(C(F)(F)F)cn3C2)cc1=O 328620632 HEGBHZFWMZGGGE-SNVBAGLBSA-N 354.332 2.168 30 50 FEEA O=C1N/C(=N/S(=O)(=O)c2ccccc2)S/C1=C/c1ccccc1O 5061787 JAHRYEKCGSCTLT-GXDHUFHOSA-N 360.416 2.341 30 50 FEEA Cc1nc([C@@H]2CNC(=NCCN=c3ccc4ccccc4[nH]3)N2)cs1 2325826563 FVLITWSLGWLDPY-HNNXBMFYSA-N 352.467 2.124 30 50 FEEA COc1ccc(CCN2CC(=O)C(c3nc(C)cs3)=C2N)cc1OC 3171581 MXXVBSNCORNGPZ-UHFFFAOYSA-N 359.451 2.223 30 50 FEEA Cc1ccc(C#N)cc1S(=O)(=O)NC(=O)[C@H]1Oc2ccccc2[C@H]1C 118148995 OMHULIOQZCOHHN-PXAZEXFGSA-N 356.403 2.236 30 50 FEEA N#Cc1ccc(F)cc1CN1C(=O)N[C@]2(CCOc3ccccc32)C1=O 121884135 FNHGPMLEESTIBW-IBGZPJMESA-N 351.337 2.427 30 50 FEEA Cn1cnc2cc(CN3C[C@@H](C#N)[C@@]4(C3)C(=O)Nc3ccccc34)ccc21 1875256878 XPMQOQNRXJUQFQ-QVKFZJNVSA-N 357.417 2.419 30 50 FEEA C[C@H](O)C1CCN(C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3F)C2)CC1 159531666 IECTYJDPQFIWQJ-WMLDXEAASA-N 374.460 2.469 30 50 FEEA CC(C)c1nc([C@H]2CN(C(=O)c3ccc(C#N)nc3)C[C@@H]2C2CC2)n[nH]1 952848633 KRBOJRNYPHWBFB-CVEARBPZSA-N 350.426 2.461 30 50 FEEA COc1ccc(O)cc1-c1c(C#N)c(N)nc2c1CN(C(=O)C1CC1)CC2 72140432 GXCRNJYQJWIREF-UHFFFAOYSA-N 364.405 2.211 30 50 FEEA CCNc1ncc(CN2CC(=O)N(c3ccccc3C#N)C[C@H]2C)cn1 82148339 ACGUVXJEKAKYKE-CQSZACIVSA-N 350.426 2.017 30 50 FEEA CCc1nc(C)c(C(=O)N[C@H]2COCC[C@@H]2Oc2ccc(C#N)cc2)o1 1565516442 HEDUQFFNWXNWFI-HOTGVXAUSA-N 355.394 2.383 30 50 FEEA Cn1cc([C@@H]2[C@@H](CNc3cnccc3C#N)CCC(=O)N2C2CC2)cn1 952852972 RVVNWAYXMXISDI-KUHUBIRLSA-N 350.426 2.241 30 50 FEEA CC(=O)N1C[C@H](NC(=O)c2ccc(F)c(C#N)c2)CC[C@@H]1C(F)(F)F 886066002 FBBHCCGBFSZTJD-TZMCWYRMSA-N 357.307 2.369 30 50 FEEA CCOc1cccc(/C=N\NS(=O)(=O)c2cccc([N+](=O)[O-])c2)c1O 17075039 XUIFNAGFIAXLPA-YBEGLDIGSA-N 365.367 2.012 30 50 FEEA CCN1CCC[C@@H](CN(C)C(=O)c2cc(C#N)cn2C)[C@@H]1c1cnn(C)c1 328630031 PKDKUQLTBMTOQO-QFBILLFUSA-N 368.485 2.175 30 50 FEEA O/C(=N/Cc1cn2ccsc2n1)N1CCN(Cc2cscn2)CC1 328873946 RIBPLAGNAPNNHS-UHFFFAOYSA-N 362.484 2.084 30 50 FEEA CN(C[C@@H]1CCCN(C)[C@H]1c1ccnn1C)C(=O)c1cccc(C#N)c1 284565519 JPRWTNIWMDOCAC-PKOBYXMFSA-N 351.454 2.447 30 50 FEEA C[C@@H](C1CC1)n1nccc1NC(=O)N1CCN(c2ccc(C#N)cn2)CC1 187732085 HGDVFZFFTDOEBG-AWEZNQCLSA-N 365.441 2.475 30 50 FEEA C[C@@](O)(CN1Cc2ccccc2C1=O)C(=O)OCc1cc(C#N)ccc1F 225663982 LTRHZUBKVBNYBW-HXUWFJFHSA-N 368.364 2.148 30 50 FEEA CC#CCN(Cc1ccco1)C(=O)c1cc(C)c(C)c(S(N)(=O)=O)c1 55370280 ICZJDMMJEIRKOS-UHFFFAOYSA-N 360.435 2.210 30 50 FEEA N#Cc1ccccc1S(=O)(=O)N1CCC2(CC1)C(=O)Nc1ccccc12 72128382 LVPUCCHWSRJASO-UHFFFAOYSA-N 367.430 2.233 30 50 FEEA COc1cccc([C@@H](O)C(=O)N2CCC(C#N)(c3ccccn3)CC2)c1 367091009 FXSGKDVXEQYPSX-GOSISDBHSA-N 351.406 2.208 30 50 FEEA COc1cccc([C@@H]2C[C@H]2C(=O)NS(=O)(=O)c2cccc(F)c2C#N)c1 160031990 VAEJZPWGQVHWAO-UONOGXRCSA-N 374.393 2.315 30 50 FEEA COc1ccc(CNC(=O)N2CCO[C@H](c3nccs3)C2)cc1C#N 747429884 CKEQTIULZHVVLY-HNNXBMFYSA-N 358.423 2.306 30 50 FEEA Cc1cc(C)c(S(=O)(=O)N/N=C2\C(=O)N(C)c3ccccc32)c(C)c1 5612177 KJPFVZXBLLFORU-MNDPQUGUSA-N 357.435 2.271 30 50 FEEA C=CC(=O)Nc1cccc(C(=O)NC2CCC(C#CC(=O)OC)CC2)c1 1875381448 VKXMODVTIDLLQR-UHFFFAOYSA-N 354.406 2.276 30 50 FEEA COCc1cc(C)n(CC(=O)Nc2ccc(F)c(F)c2F)c(=O)c1C#N 810889 ZHVHDVSWUNWTRJ-UHFFFAOYSA-N 365.311 2.231 30 50 FEEA Cc1ncc2c(c1C#N)CCN(C(=O)c1ccc(-c3cncc(N)n3)cc1)C2 2356133936 NVZZLJKPTDPGIG-UHFFFAOYSA-N 370.416 2.499 30 50 FEEA Cc1cccc(-c2ncc(C#N)c(N(C)[C@@H]3C[C@@H]4CNC(=O)C[C@@H]4C3)n2)n1 2356162765 JLOQWLHYZUIJJJ-LZWOXQAQSA-N 362.437 2.070 30 50 FEEA N#Cc1ccc(C(=O)N2C[C@@H]3CC[C@H]2CN(C(=O)c2cccnc2)C3)cc1 1565527011 PSFCCHZKYPRDPD-APWZRJJASA-N 360.417 2.330 30 50 FEEA Cn1c([C@@H]2CCCN2CC(=O)N(CCC#N)CCC#N)nc2c1CCCC2 275928234 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FEEA CC(C)c1noc([C@@H](/N=C(/O)CN2CCCC2=O)C2CCOCC2)n1 328612005 NHVKIOIZLGTBFN-HNNXBMFYSA-N 350.419 2.240 30 50 FEEA Cc1nsc(C)c1C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O 292431592 LSGNDFVZBFFEBT-HNNXBMFYSA-N 354.435 2.163 30 50 FEEA CC(C)(C)OC(=O)N1CC[C@@H](n2cc(B3OC(C)(C)C(C)(C)O3)cn2)C1 201188559 IGWFVUAHNXWIFY-CQSZACIVSA-N 363.267 2.364 30 50 FEEA in-vitro CCC[C@H](C#N)N(C)C(=O)c1cccc(S(=O)(=O)N(CC)CC)c1 328589928 SVHDBDINMMTSPF-OAHLLOKOSA-N 351.472 2.481 30 50 FEEA C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3C(=O)C[C@]2(C)[C@@]1(O)C(=O)CO 4216862 PIDANAQULIKBQS-RNUIGHNZSA-N 372.461 2.012 30 50 FEEA biogenic,world C[C@H](C(=O)NC1(C#N)CCCCC1)N1CCC[C@@H](N2CCCC2=O)CC1 334017556 BTYZOEJUPOUKTC-IAGOWNOFSA-N 360.502 2.194 30 50 FEEA C=CCOc1ccc(CNC2CCN(S(C)(=O)=O)CC2)cc1CC=C 55326167 VWLPMUWGPHDCOH-UHFFFAOYSA-N 364.511 2.494 30 50 FEEA N#Cc1ccc(CS(=O)(=O)CC(=O)N[C@@H]2C[C@H]3C[C@H]2[C@@H]2CCC[C@@H]32)cc1 247656086 PHFLLIBTCDYGSH-MTHXSQLBSA-N 372.490 2.414 30 50 FEEA COC1=C(OC)[C@]2(O)[C@H]3CCC[C@H]3[C@H]3CCN(Cc4ccccc4)[C@]32C1=O 71786746 BNDOKJIBUJFIRJ-LYHMAKQNSA-N 369.461 2.495 30 50 FEEA N#Cc1ccc(N2CCN(Cc3cc(=O)c4cc(F)ccc4[nH]3)CC2)nc1 91269696 KPBWFZFFRNYGFP-UHFFFAOYSA-N 363.396 2.256 30 50 FEEA NS(=O)(=O)c1ccc(CCNC2=CC(=O)C[C@@H](c3ccco3)C2)cc1 2492158 GQTVCAMXOKTRNK-AWEZNQCLSA-N 360.435 2.090 30 50 FEEA Cn1ncc(C(=O)N2CCc3c(ccc(Br)c3F)C2)c1C#N 2325783055 WJNHQMSNQAOAFQ-UHFFFAOYSA-N 363.190 2.392 30 50 FEEA C/C(=N\NC(N)=S)c1c[nH]c(=S)n(-c2cccc(Cl)c2)c1=O 102296055 PLJCFBDVGKLIIZ-REZTVBANSA-N 353.860 2.106 30 50 FEEA C#CCN(CC#CC)CC(=O)Nc1ccc(N2C[C@H](C)O[C@@H](C)C2)cc1 229356986 KQGYJFBOJOZKJM-ROUUACIJSA-N 353.466 2.197 30 50 FEEA Cc1ccccc1[C@@]1(O)CCN(C(=O)c2ccc(C#CC(C)(C)O)o2)C1 65451581 QTWJRUQWLDSBQE-OAQYLSRUSA-N 353.418 2.444 30 50 FEEA CC[C@@H](COC)/N=C(/O)N(C)C[C@@H]1CCCN(C)[C@H]1c1cnn(C)c1 328633041 SHUBRDLRTMLJKQ-BHYGNILZSA-N 351.495 2.074 30 50 FEEA C[C@H]1Oc2ccccc2N(CC(=O)NCc2cc(C#N)ccc2F)C1=O 174400116 COSJICNTDCHCAQ-GFCCVEGCSA-N 353.353 2.128 30 50 FEEA Cc1ccc(S(=O)(=O)O[C@H]2[C@H]3[C@H]4O[C@@H]5C[C@H]6[C@@H]4[C@H]2[C@H](C#N)[C@@H]6[C@@H]53)cc1 257359051 YBIUGCWLAQFQCH-KJWYMUDPSA-N 357.431 2.118 30 50 FEEA N#CC1(C(=O)N2CC[C@H]3[C@H](CCC(=O)N3CCc3cccs3)C2)CC1 216967795 BEQOPIPKNRAYFJ-ZBFHGGJFSA-N 357.479 2.434 30 50 FEEA OCC#Cc1ccc(CN2CC[C@@H](c3ccc4c(c3)OCO4)[C@H](O)C2)cc1 65385717 HBAUBMKQHIHXJY-VQTJNVASSA-N 365.429 2.110 30 50 FEEA C[C@@H]1CN(c2ccc3cc(C#N)ccc3n2)C[C@H]1C(=O)N1CCOCC1 375414065 YIHAJJWORIAFIL-RHSMWYFYSA-N 350.422 2.038 30 50 FEEA N#C[C@@H](C(=O)NC1CCCCC1)C(=O)c1cccc(OCC(F)F)n1 127820381 ZNUZIUFQDAREHM-GFCCVEGCSA-N 351.353 2.497 30 50 FEEA N#Cc1ccc(-c2ccc(C(=O)N3CC[C@@](O)(CO)C3)cc2)cc1Cl 426498799 YQETZYDBQPRLEA-IBGZPJMESA-N 356.809 2.448 30 50 FEEA C[C@@H](C(=O)O)N1CC2(CCC1=O)CCN(Cc1ccc(C#N)cc1)CC2 91986323 LDGIZVIHURVTPC-HNNXBMFYSA-N 355.438 2.236 30 50 FEEA N#Cc1ccccc1C(=O)N1C[C@@H]2CC[C@H]1CN(C(=O)c1ccccn1)C2 1565513998 GEAASTOYMLXSAR-WBVHZDCISA-N 360.417 2.330 30 50 FEEA CCOC(=O)/C(=N\OC(C)(C)C(=O)OC(C)(C)C)c1csc(N)n1 12405098 GVGJDTAQZPCVCX-ZDLGFXPLSA-N 357.432 2.129 30 50 FEEA Cc1c(C#N)c(NC(=O)CN(C)c2ccn(C)n2)n(Cc2ccco2)c1C 225409476 SEAASCXOATYTEI-UHFFFAOYSA-N 366.425 2.426 30 50 FEEA C=CC[C@]1(CO)C[C@H](O)[C@@H]2[C@H](CC=C3CC4(CC[C@]32C)OCCO4)[C@H]1O 253596608 UATRNPBZSKTJEY-IPJCAIGPSA-N 364.482 2.163 30 50 FEEA CCOC(=O)C1=C(COc2c(C)cc(Cl)cc2C#N)NC(=O)N[C@H]1C 817584008 QFICTEXWJVMFOP-JTQLQIEISA-N 363.801 2.417 30 50 FEEA C=C(C)CSc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1cccc(C)c1 637753 NRHBUDVUBIZTFL-UHFFFAOYSA-N 370.478 2.459 30 50 FEEA Cc1[nH]nc(CCC(=O)N2CC(=O)N(c3ccccc3C#N)C[C@H]2C)c1C 77342398 YDVXCRAHLQKHKP-CYBMUJFWSA-N 365.437 2.095 30 50 FEEA C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N[C@H]1CCCN(c2ccc(C)nn2)C1 332694096 VYOIPUQIQYQHKD-BQFCYCMXSA-N 359.474 2.034 30 50 FEEA N#Cc1cc(-c2ccc(C(=O)N3CCN(CCO)CC3)cc2)ccc1F 426612742 YMIFGAROWNZIST-UHFFFAOYSA-N 353.397 2.114 30 50 FEEA CC(C)N1C(=O)C[C@H](/N=C(/O)Cc2cc(Cl)c3c(c2)OCCO3)C1=O 330092453 YSLFWVCRMIRIKB-LBPRGKRZSA-N 366.801 2.146 30 50 FEEA Cc1nnc([C@@H]2CC23CCN(C(=O)COc2ccccc2C#N)CC3)o1 370860448 KIFJVZIGKHFJKV-HNNXBMFYSA-N 352.394 2.425 30 50 FEEA Cc1ccc(-n2nc(C(=O)N[C@H]3CCCN(O)C3=O)c3c2CCC3)c(C)c1 848137398 AIXWFTUZJUTGFW-HNNXBMFYSA-N 368.437 2.088 30 50 FEEA COc1ccc(/C=N/N2C(=O)[C@@H]3[C@H](C2=O)[C@H]2C=C[C@H]3C23CC3)cc1OC 105209309 SDANLBNXRDVLKC-CHHIFSMNSA-N 352.390 2.235 30 50 FEEA CCC[C@]1(C2CCNCC2)NC(=O)N(CCc2ccc(C#N)cc2)C1=O 67909789 WLPYENSMUCUABO-HXUWFJFHSA-N 354.454 2.191 30 50 FEEA O=C1[C@@H]2CC[C@@H](CN(Cc3ccc(C#CCO)s3)C2)N1CC1CCC1 247892506 ZBTSXLKFXHTIAM-SJORKVTESA-N 358.507 2.315 30 50 FEEA C=CCOC[C@@H](NC(=O)Cc1csc(-c2ccsc2)n1)C(=O)O 1875265791 GADKSTYEAOVIAW-GFCCVEGCSA-N 352.437 2.186 30 50 FEEA N#Cc1c(F)cccc1S(=O)(=O)N1C[C@H](c2ccsc2)[C@@H](CO)C1 328612576 PFTHJXLAJLWKFN-TZMCWYRMSA-N 366.439 2.155 30 50 FEEA C#CCOc1ccc(Br)cc1/C=C1/C(=O)N(C)C(=S)N1C 4891983 RAFFAVNXHMFPKG-XFXZXTDPSA-N 365.252 2.491 30 50 FEEA O=C(C#CC1CCNCC1)N(Cc1ccsc1)[C@H]1CC12CCNCC2 952895091 SRLJYPAWDJNPEV-SFHVURJKSA-N 357.523 2.222 30 50 FEEA Cc1noc([C@H](NC(=O)C2CCN(c3ccc(C#N)cn3)CC2)C(C)C)n1 1875257763 RAOXYRCYNLQCHP-QGZVFWFLSA-N 368.441 2.375 30 50 FEEA CSc1nc(N)nc(SCC(=O)c2ccc3c(c2)OCO3)c1C#N 1798240 FCUWWYJELRALIL-UHFFFAOYSA-N 360.420 2.356 30 50 FEEA C=C1C(C)(C)[C@H]2CC[C@]1(C(=O)N1CCc3nc(C)n(C)c(=O)c3CC1)C2 65529715 GLFIMEDFBNZCDH-BTYIYWSLSA-N 355.482 2.398 30 50 FEEA CN(C)[C@H](C(=O)N1CCN(c2ccc(C#N)cn2)CC1)c1ccccc1F 95372415 OVHDVVPGIWRVMM-IBGZPJMESA-N 367.428 2.044 30 50 FEEA CC[C@@H](NC1CCN(c2cc(C)nc(-c3ccccc3)n2)CC1)C(=O)NO 96131373 HCUYPEPTHCZRAD-QGZVFWFLSA-N 369.469 2.294 30 50 FEEA CN(C)CCN1C[C@]2(CCCN(Cc3cccc(C#N)c3)C2)CCC1=O 92062360 YRNWOIXXUKDRMC-OAQYLSRUSA-N 354.498 2.324 30 50 FEEA COc1ccccc1CC(=O)N1CCCN(c2cccc(C#N)n2)CC1 364283248 GWHDJZZUXVJKAV-UHFFFAOYSA-N 350.422 2.243 30 50 FEEA Cc1nc(N2CCCN(C(=O)[C@H]3CCCCN3C)CC2)c(C#N)c(C)c1C 1775981876 XUELEMYNNXZOTQ-LJQANCHMSA-N 369.513 2.402 30 50 FEEA CCS(=O)(=O)N1CCC[C@@H](C(=O)Nc2sc3c(c2C#N)CCC3)C1 6746356 RTLNUESAKDOTND-LLVKDONJSA-N 367.496 2.109 30 50 FEEA N#CCOc1ccc(CC(=O)NS(=O)(=O)c2ccc3c(c2)CCC3)cc1 111943340 LLWWKVIMJQQGDN-UHFFFAOYSA-N 370.430 2.125 30 50 FEEA N#Cc1ccccc1N1CCN(C(=O)[C@@H]2CCCN3CCCC[C@H]23)CC1 97213288 BSKQWFMKZJNTTD-UYAOXDASSA-N 352.482 2.471 30 50 FEEA CC(C)(O)C#Cc1ccc(CN2CCN(C(=O)c3ccco3)CC2)cc1 670461640 FVCCGLWVMSPCPI-UHFFFAOYSA-N 352.434 2.360 30 50 FEEA COC(=O)[C@H]1CCN2C(=O)N(c3ccc(OC(C)C)c(C#N)c3)C(=O)[C@H]2C1 278203346 SFGSNABOHFRMLB-SWLSCSKDSA-N 371.393 2.066 30 50 FEEA COc1ccc(O[C@@H](C)C(=O)O/N=C(\N)c2ccc([N+](=O)[O-])cc2)cc1 5014229 DDXBSLCUHFIWHZ-NSHDSACASA-N 359.338 2.234 30 50 FEEA CC(=O)N1C[C@@H]2CN(Cc3ccccc3C#Cc3ccccc3)C[C@@]2(CO)C1 1772809953 AXFATPVHHQWYBC-ZEQRLZLVSA-N 374.484 2.359 30 50 FEEA COc1ccc(/C=N/N2CCOCC2)cc1Cn1nnc2ccccc21 2226703 JNVSAPRQPFDFIN-DEDYPNTBSA-N 351.410 2.154 30 50 FEEA C#CCN(CC=C)C(=O)[C@@H]1CCC(=O)N(CCc2ccc(OC)cc2)C1 15063510 VDHPMVWIPAGLGA-GOSISDBHSA-N 354.450 2.124 30 50 FEEA C#CCCC1(CCC(=O)N2CCN(C(=O)c3ccccc3OC)CC2)N=N1 2325886935 OUXDLLULBDPWIV-UHFFFAOYSA-N 368.437 2.335 30 50 FEEA COc1cccc(CC(=O)N2CCCN(c3ccc(C#N)cn3)CC2)c1 1142843225 CQHJOUFKSOUXPH-UHFFFAOYSA-N 350.422 2.243 30 50 FEEA COC(=O)c1sc(N)nc1-c1cccc(B2OC(C)(C)C(C)(C)O2)c1 170005545 JBMNLJYYKYGRCE-UHFFFAOYSA-N 360.244 2.478 30 50 FEEA Cc1nn(C)c(C)c1C[C@H](C)C(=O)N1CC(Oc2ccc(C#N)cc2)C1 130835665 UVZLABSIZKSQLS-ZDUSSCGKSA-N 352.438 2.377 30 50 FEEA C=CCNC(=O)N1CCC[C@@H](CNC(=O)c2cc(OC)cc(OC)c2)C1 12590423 KFPGTFPQTWXPCF-AWEZNQCLSA-N 361.442 2.041 30 50 FEEA C=CCn1c(SCC(=O)NC[C@H]2CCCO2)nnc1-c1ccccc1O 9038897 AKVLDEAKNGTKFZ-CYBMUJFWSA-N 374.466 2.224 30 50 FEEA Cn1ccnc(N2CCC[C@H](/N=C(/O)c3cccc4c3CCC4)C2)c1=O 328631980 LBSUKYMAYHJCHF-HNNXBMFYSA-N 352.438 2.243 30 50 FEEA Cc1ncsc1CN1C[C@@H](F)C[C@H]1CN(C)C(=O)c1ccc(C#N)cn1 328605593 OCJIOVAIZWAYCU-GJZGRUSLSA-N 373.457 2.403 30 50 FEEA N#Cc1cc(-c2cccc(C(=O)NC[C@]3(O)CCCNC3)c2)ccc1F 426474395 STDCIHLRMJQMDL-FQEVSTJZSA-N 353.397 2.209 30 50 FEEA C=CCNC(=O)c1ccccc1NS(=O)(=O)c1cccc([N+](=O)[O-])c1 5027836 CHMWWBGKLAYCJF-UHFFFAOYSA-N 361.379 2.311 30 50 FEEA C=CCN1C(=O)/C(=C\c2cc(Cl)c(O)c(OCC)c2)C(=O)NC1=S 15012426 JJFXYLSJFUTTLN-POHAHGRESA-N 366.826 2.257 30 50 FEEA C=CCN(CCC(=O)O)C(=O)CCc1c(C)nc2c(c(OC)nn2C)c1C 1875291592 FOHLWNXWJCGKIJ-UHFFFAOYSA-N 374.441 2.016 30 50 FEEA COC(=O)c1cc(C#N)c(N2CCC[C@@H](CCC(=O)N(C)C)C2)nc1C 77553863 BPMIDAAHZMSZLE-AWEZNQCLSA-N 358.442 2.133 30 50 FEEA C=CCN1C[C@H](C(=O)Nc2c(-c3ccccc3OC)c(C)nn2C)CC1=O 1529159179 PXXXGEANIVYMKJ-CQSZACIVSA-N 368.437 2.377 30 50 FEEA COC(=O)c1n[nH]c2c1CN(C(=O)C[C@@H](CC#N)c1ccccc1)CC2 456381899 XEWCFYCDFGMTHI-CQSZACIVSA-N 352.394 2.169 30 50 FEEA CC(C)[C@@H]1COCCN(C(=O)[C@@H]2CC(=O)N(c3ccc(C#N)cc3)C2)C1 2325784301 RBKXXIHQGHJPEK-SJORKVTESA-N 355.438 2.042 30 50 FEEA N#Cc1ccccc1N1CCC(CNC(=O)[C@@H](O)c2cccnc2)CC1 371200519 OLXJMVUVVYHUED-IBGZPJMESA-N 350.422 2.019 30 50 FEEA CC(C)[C@@H](C#N)N1CCN(C(=O)CN(C)[C@H]2CCc3ccccc32)CC1 242304996 YTXTWHVHBBVZSB-VQTJNVASSA-N 354.498 2.298 30 50 FEEA C=CCN1C[C@H](C(=O)NCC2CCN(CCc3ccccc3)CC2)CC1=O 820474886 UWSMOPHAAWONIX-HXUWFJFHSA-N 369.509 2.092 30 50 FEEA N#Cc1cccc([C@@H](O)CNC(=O)c2csc(N3CCCCC3)n2)c1 1875270433 RAMBJDDZMFQKKR-INIZCTEOSA-N 356.451 2.468 30 50 FEEA C[C@H]1C(=O)NCCN1Cc1ccc(C(=O)Nc2sccc2C#N)cc1 65407767 UBDJKIMUNDYRJW-LBPRGKRZSA-N 354.435 2.192 30 50 FEEA Cc1noc(CCCN2CC(=O)C(c3nc4ccccc4s3)=C2N)n1 218524415 IFOIGZQOCUXMFK-UHFFFAOYSA-N 355.423 2.133 30 50 FEEA N#Cc1ncccc1S(=O)(=O)N1CC[C@]2(CCc3ccccc3O2)C1 377872402 DVBNWKBBFXLNPD-GOSISDBHSA-N 355.419 2.112 30 50 FEEA O=C1[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)N1/N=C/c1ccc(O)c(Br)c1 245226597 GDDOPJBRRRNCHI-IMWOSCBPSA-N 361.195 2.296 30 50 FEEA N#Cc1cc(C[C@H]2CCN(C(=O)[C@@H]3CCCc4nn[nH]c43)C2)ccc1F 1875312896 JKYHCKMFYLCKIU-UKRRQHHQSA-N 353.401 2.327 30 50 FEEA COc1ccc(S(=O)(=O)N/N=C\c2c[nH]nc2-c2ccccc2)cc1 30951344 IMPPMRQBOAQTLY-UNOMPAQXSA-N 356.407 2.398 30 50 FEEA CCCc1nnc(N2C[C@H](C(=O)NCc3ccc(C#N)cc3)CC2=O)s1 1857716439 MLUCDCWXRUEFBX-CQSZACIVSA-N 369.450 2.032 30 50 FEEA Cc1csc([C@@H](C#N)/C(=N/CCN2CCOCC2)NCc2ccco2)n1 225502931 MYVJKIGVXQAJPX-INIZCTEOSA-N 373.482 2.172 30 50 FEEA N#Cc1ccc(S(=O)(=O)N2CC3(CCOCC3)[C@@H]2c2ccccc2)cn1 333927963 WVZINDRKNQGSLO-SFHVURJKSA-N 369.446 2.496 30 50 FEEA Cc1nn(C(C)(C)C)cc1[C@H](C)/N=C(/O)N1CC[C@H](S(C)(=O)=O)C1 330399000 SXQOZLXIYHAQEQ-AAEUAGOBSA-N 356.492 2.040 30 50 FEEA O/C(=N/CCn1cccn1)NC[C@@H]1C[C@H](F)CN1Cc1cccs1 328638145 OYSJJFMIPHEQRG-KBPBESRZSA-N 351.451 2.061 30 50 FEEA C#CCCCS(=O)(=O)NC1CCN(Cc2ccc(F)c(F)c2)CC1 225392928 VWPROXFLRXSZLX-UHFFFAOYSA-N 356.438 2.262 30 50 FEEA Cc1nn(C(C)(C)C)cc1[C@H](C)/N=C(/O)N1CC[C@@H](S(C)(=O)=O)C1 330399004 SXQOZLXIYHAQEQ-WCQYABFASA-N 356.492 2.040 30 50 FEEA CCc1noc([C@@]23CCN(C)C[C@@H]2CN(c2ccc(F)cc2C#N)C3)n1 952889528 GSGLLAJIGDEPSN-AUUYWEPGSA-N 355.417 2.352 30 50 FEEA N#Cc1cncc(N2CCC[C@]3(CCCC[C@@H]3NC(=O)[C@H]3C[C@H]3F)C2)n1 1875408508 YFIUIIQWNBHXKO-CYJAXWMASA-N 357.433 2.352 30 50 FEEA CO[C@@H]1C[C@@H](COc2cccnc2)N(C(=O)Cc2ccc(C#N)cc2)C1 886034118 RHXUWPPSEKQCLP-PKOBYXMFSA-N 351.406 2.191 30 50 FEEA CCOc1ccccc1CN1CCN(c2ncccc2C#N)C[C@@H]1CCO 72480915 DHMLHECOQXDINQ-IBGZPJMESA-N 366.465 2.425 30 50 FEEA N#Cc1ccccc1N1CCN(C(=O)[C@@H]2CCc3ccccc3O2)CC1=O 82086999 FQLIPZYAPWCDRY-IBGZPJMESA-N 361.401 2.127 30 50 FEEA C=CCN1CC2(CCC1=O)CCN(C[C@@H]1Cc3c(C)nc(C)nc3O1)CC2 91691610 OBUTUFXUZDKFAZ-KRWDZBQOSA-N 370.497 2.288 30 50 FEEA Cc1noc(C)c1CN1C(=O)[C@H]2CC[C@@H]1CN(c1cc(C#N)ccn1)C2 91932049 BDLUYICZXIIHJA-JKSUJKDBSA-N 351.410 2.186 30 50 FEEA O/N=C(\c1ccccc1)C12C3[C@H]4[C@H]1C1[C@@H]2[C@H]3C4(Br)C12OCCO2 253388591 WTEAORZRLOVQJG-DEPKERIISA-N 374.234 2.493 30 50 FEEA N#Cc1c[nH]c(C(=O)N[C@H]2C[C@H]3CO[C@@H](c4ccc(Cl)cc4)CN3C2)c1 1857731561 KDJZOQFCKLYEIW-XYJFISCASA-N 370.840 2.484 30 50 FEEA C[C@]1(C(=O)Nc2c(C#N)cnn2-c2ccccc2)CC(=O)N=C2C=CC=CN21 170575329 KJNZVAONFDBZIR-HXUWFJFHSA-N 372.388 2.155 30 50 FEEA CN(C/C(O)=N/Cc1cccnc1)C[C@@H]1CCCN(C)[C@H]1c1cnn(C)c1 328622254 BARYSYFWJZHXDV-FXAWDEMLSA-N 370.501 2.287 30 50 FEEA COc1nccc(N[C@@H]2CCOC[C@H]2Oc2ccc(CO)cc2)c1C#N 223917055 WWRBKGPOFOISMR-QZTJIDSGSA-N 355.394 2.103 30 50 FEEA N#Cc1cccc(N2CCC3(CCC(=O)N(C[C@H]4CCCO4)C3)CC2)n1 91746937 NXDRAMLVUFSWSK-QGZVFWFLSA-N 354.454 2.341 30 50 FEEA C[C@H]1C[C@@H]1C(=O)N[C@H]1C[C@@H](Nc2ncc(C#N)cc2F)C12CCOCC2 1875407932 KIABDTKWXILIFP-YUDUHTQSSA-N 358.417 2.214 30 50 FEEA C=CCc1cc(CN2CCC(Cc3nnc(CO)n3C)CC2)ccc1OC 55183266 UKXVYXNMWACUFE-UHFFFAOYSA-N 370.497 2.499 30 50 FEEA CN(Cc1ccc(-c2c(C#N)c(N)nc3c2CCCC3)o1)S(C)(=O)=O 67879203 FQAVDZJPYNIBNY-UHFFFAOYSA-N 360.439 2.066 30 50 FEEA CS(=O)(=O)N(C1CCC1)[C@H]1CCCN(C[C@@H](C#N)CCC#N)CC1 328621642 AODXYELTUSVAGE-WBVHZDCISA-N 352.504 2.099 30 50 FEEA Cc1ccc(C(=O)N2C[C@H](C)O[C@H](CO)C2)cc1N=C(O)NC(C)(C)C 330990459 MOHDPIJWPWKMOA-ZFWWWQNUSA-N 363.458 2.150 30 50 FEEA COc1ccccc1-n1cc(-c2c(C#N)c(N)nc3c2C[C@H](N)CC3)cn1 71762919 MLUQIPDQNBYQAC-CYBMUJFWSA-N 360.421 2.213 30 50 FEEA CC(=O)N1C[C@@H]2CN(Cc3ccccc3C#Cc3ccccc3)C[C@]2(CO)C1 1772809950 AXFATPVHHQWYBC-BJKOFHAPSA-N 374.484 2.359 30 50 FEEA C=C(C)Cn1c(NCc2ccccc2Cl)nc2c1c(=O)[nH]c(=O)n2C 2441298 PBYQUVNCTPYNPL-UHFFFAOYSA-N 359.817 2.265 30 50 FEEA CC(=O)[C@@H](/C=N/OCc1ccc([N+](=O)[O-])cc1)C(=O)Nc1nccs1 4051746 YTHPMJUMUFERMU-QOSBVPTNSA-N 362.367 2.398 30 50 FEEA CCc1ccccc1N=C(O)CN1CCN(C(=O)C#C[C@H]2CCOC2)CC1 328590003 UMCGRRDZCQCTLQ-KRWDZBQOSA-N 369.465 2.021 30 50 FEEA N#Cc1ccc(-c2ccc(C(=O)NC[C@]3(O)CCNC3)cc2)cc1Cl 426428729 GJMPPALFICDULT-IBGZPJMESA-N 355.825 2.333 30 50 FEEA N#Cc1ccc(N2CC[C@@H](N3CCN(Cc4ccco4)CC3)C2=O)cc1 291460043 AIXNDTYLAKWWEZ-LJQANCHMSA-N 350.422 2.074 30 50 FEEA N#Cc1cccc([C@H]2CN(C(=O)c3cn(-c4ccccc4)nn3)CCO2)c1 362443099 VFLDESIIWMRMIA-LJQANCHMSA-N 359.389 2.353 30 50 FEEA COc1ccc(/C=N/N2C(=O)[C@@H]3[C@H]4C=C[C@@H]([C@@H]5C[C@H]45)[C@H]3C2=O)cc1OC 252428710 WMVSNTSUKSHDGJ-VUXCTKBPSA-N 352.390 2.091 30 50 FEEA CN(CCc1ccccn1)[C@@H]1CCCN(C(=O)C2=CC(=O)CC(C)(C)O2)C1 11668047 SQOZSCFOIFMDTQ-QGZVFWFLSA-N 371.481 2.199 30 50 FEEA CCCCCCCCn1c(SC[C@H](C)O)nc2c1c(=O)[nH]c(=O)n2C 8396871 QXYLTEIIUDQNEW-LBPRGKRZSA-N 368.503 2.257 30 50 FEEA COc1ccc(C(C)(C)C(=O)NS(=O)(=O)c2ccc(C#N)cc2)cc1 129882805 KLDUYOUWSAHQMY-UHFFFAOYSA-N 358.419 2.350 30 50 FEEA N#CC1(c2ccccc2)CCN(C(=O)NCCN2CCCOC2=O)CC1 426548553 RHHOYLMEQWNKHW-UHFFFAOYSA-N 356.426 2.096 30 50 FEEA CN(Cc1nccs1)[C@H]1CC12CCN(C(=O)c1c[nH]c(C#N)c1)CC2 275518867 CDFXIOMTIBWPTN-HNNXBMFYSA-N 355.467 2.470 30 50 FEEA CC(=O)/N=C1\NC(=O)/C(=C/c2cc3c(cc2Br)OCO3)S1 5175527 OHAUXLLFZBRJLH-JYOAFUTRSA-N 369.196 2.284 30 50 FEEA Cc1ccc(C(=O)N2CCCN(C(=O)c3ccc(C#N)nc3)CC2)s1 1772708888 LNHWAPKHRUAONQ-UHFFFAOYSA-N 354.435 2.312 30 50 FEEA COCC(=O)N1C[C@@H](CN=c2[nH]c3ccccc3c(C)c2C#N)C[C@H]1C 1875337200 QCOMHRSMMHLPRP-UKRRQHHQSA-N 352.438 2.132 30 50 FEEA N#Cc1ncccc1S(=O)(=O)NC(=O)CCCc1c[nH]c2ccccc12 225690052 XNDLUBYCIXTBQA-UHFFFAOYSA-N 368.418 2.262 30 50 FEEA COc1ccc(F)cc1[C@H](C(=O)O)N1CCN(c2ccc(C#N)cn2)CC1 55357653 ZLCRUGLIOHVERF-GOSISDBHSA-N 370.384 2.049 30 50 FEEA C=C(C)CNc1ccc(C(=O)N2CCCN(c3ncccn3)CC2)cn1 19791395 DQELCMHXLVGUHE-UHFFFAOYSA-N 352.442 2.212 30 50 FEEA C[C@H](C(=O)NC1(C#N)CCCCC1)N1CCC[C@H](N2CCCC2=O)CC1 334017558 BTYZOEJUPOUKTC-SJORKVTESA-N 360.502 2.194 30 50 FEEA C#CCCC1(CCC(=O)N2CCN(c3ccc4nccn4c3)CC2)N=N1 2325900084 KHYYIUAYKDXXBA-UHFFFAOYSA-N 350.426 2.339 30 50 FEEA CN(CCc1noc(C2CC2)n1)C(=O)c1cccc(C#CC(C)(C)O)c1 219630991 FFPNBPDFIKCGDA-UHFFFAOYSA-N 353.422 2.384 30 50 FEEA CN(CC(=O)N[C@H]1COCC[C@@H]1Oc1ccc(C#N)cc1)C1CCCC1 1565511638 HOBBLRXKYAUQQP-OALUTQOASA-N 357.454 2.085 30 50 FEEA COCCn1cnnc1CN(C)C(=O)CC1=C(c2ccccc2)CCC1=O 1506397918 ZFUHOBRNYKGXSW-UHFFFAOYSA-N 368.437 2.090 30 50 FEEA Cn1cc(C#N)cc1C(=O)N1C[C@@H](O)[C@H](Cc2ccc3ccccc3n2)C1 1704348320 KGVUQNYKEPCBCE-OXQOHEQNSA-N 360.417 2.121 30 50 FEEA Cc1nn(CCO)cc1-c1cc(-c2ccc3c(c2)OCO3)nc(N)c1C#N 67822047 CBFKAQQAEPIDJX-UHFFFAOYSA-N 363.377 2.095 30 50 FEEA CC[C@H]1CN(C)c2ccccc2CN1S(=O)(=O)c1ccc(C#N)nc1 157204363 FDXWLKGNQQABJW-INIZCTEOSA-N 356.451 2.373 30 50 FEEA N#Cc1ccc(NC(=O)CCCN2CCC(N3CCCC3=O)CC2)cc1 71767503 PPQMHIUDKBDQPP-UHFFFAOYSA-N 354.454 2.364 30 50 FEEA C=CCN1CC[C@@]2(CCC1=O)CN(C(=O)NCc1ccccc1)CCN2C 91691571 RAJWJJIANCFWCU-NRFANRHFSA-N 370.497 2.081 30 50 FEEA CC(=O)NC[C@@H]1CCn2ncc(C(=O)Nc3cc(C#N)ccc3C)c2C1 277452633 PNKVUVMYSQIPDL-OAHLLOKOSA-N 351.410 2.014 30 50 FEEA CN(C[C@H]1CCCN1C)C(=O)N1CC[C@@H](B2OC(C)(C)C(C)(C)O2)C1 1875366713 AEYJXZHCIQCQHF-HUUCEWRRSA-N 351.300 2.301 30 50 FEEA CN(C[C@H](O)c1cccc(C#N)c1)C[C@]1(O)[C@@H]2[C@@H]3[C@@H]4C[C@H]5[C@H]3C[C@H]2[C@@H]5[C@H]41 2325755210 JYJRQSDRGYGIFK-IQQHNCAKSA-N 350.462 2.032 30 50 FEEA CCC[C@H](CC)C(=O)NCCN1CCN(c2ccc(C#N)c(C)n2)CC1 2325868003 LFHBBRDFXVTNGY-KRWDZBQOSA-N 357.502 2.326 30 50 FEEA N#Cc1ccccc1OC[C@H](O)CS(=O)(=O)c1ccc(Cl)cc1 1399237 KJLYWCNMBMCVMJ-AWEZNQCLSA-N 351.811 2.425 30 50 FEEA CN(C[C@@H]1CCCN1C)C(=O)N1CC[C@@H](B2OC(C)(C)C(C)(C)O2)C1 1875366711 AEYJXZHCIQCQHF-CABCVRRESA-N 351.300 2.301 30 50 FEEA CN(C[C@@H]1CCc2nc(C(F)(F)F)cn2C1)/C(O)=N/C1CCOCC1 328624466 JYFRUVXAWQMZLP-NSHDSACASA-N 360.380 2.489 30 50 FEEA Cc1noc(C)c1CN1C(=O)[C@H]2CC[C@@H]1CN(c1cccc(C#N)n1)C2 91444573 GSXVTXSREIGCJS-GOEBONIOSA-N 351.410 2.186 30 50 FEEA Oc1ccccc1/C=N/Nc1nc(N2CCCC2)nc(N2CCCC2)n1 4646462 IJZNLJCMEGSZRA-CPNJWEJPSA-N 353.430 2.224 30 50 FEEA C#CCCC1(CCC(=O)N2CCN(C[C@H](O)c3ccccc3)CC2)N=N1 952883640 YJWQHYYGHPYWFK-SFHVURJKSA-N 354.454 2.220 30 50 FEEA Cc1cc(C)c(C#N)c(N2CCn3nc(CNC(=O)C4CCC4)cc3C2)n1 534575252 JMZMXMDPDJREGX-UHFFFAOYSA-N 364.453 2.203 30 50 FEEA COCCn1cncc1CNC(=O)CC1=C(c2ccccc2)CCC1=O 299761757 NNDQQRNKWWQXSM-UHFFFAOYSA-N 353.422 2.353 30 50 FEEA CCOc1ccc(C(=O)Oc2ccc(/C=N/NC(N)=S)cc2OC)cc1 2531854 GGBRIGAOPJHLPG-RGVLZGJSSA-N 373.434 2.480 30 50 FEEA C#CCCC1(CCNC(=O)Cc2csc(NC(=O)NC3CC3)n2)N=N1 2325893546 DBORVPYMWMYCJG-UHFFFAOYSA-N 360.443 2.051 30 50 FEEA N#Cc1ccc(O[C@@H]2CCN(C(=O)c3cc(-n4cccc4)ccn3)C2)nc1 366390759 YYFDIMZINUZNKI-QGZVFWFLSA-N 359.389 2.432 30 50 FEEA CC(C)n1cc([C@]2(O)CCCN(CCOc3ccccc3C#N)C2)nn1 284758145 YCSWMRAASRWXDY-IBGZPJMESA-N 355.442 2.093 30 50 FEEA COc1cc(OC)c([C@@]23CCN(C)C[C@H]2O3)c(OC)c1Br 136821654 WKPBNWSHAJYKOE-IAQYHMDHSA-N 358.232 2.405 30 50 FEEA Cc1ccccc1[C@@H](C(=O)N1CCN(c2ccc(C#N)cn2)CC1)N(C)C 95366105 VHFZWLRZSNFMPJ-FQEVSTJZSA-N 363.465 2.213 30 50 FEEA COc1ccc(/C(N)=N/OC(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1OC 5073113 IEQLZLBIYKFANY-UHFFFAOYSA-N 359.338 2.398 30 50 FEEA N#Cc1ccc(NC(=O)CCN2CC(=O)N[C@H]3CCCC[C@@H]32)cc1Cl 133283700 UZEUXEIGIKNGFI-HOTGVXAUSA-N 360.845 2.283 30 50 FEEA CC1(C)OB(c2ccccc2S(=O)(=O)NCc2ccccc2)OC1(C)C 170005325 NTSCRAWQXJZPCK-UHFFFAOYSA-N 373.283 2.464 30 50 FEEA CN(C[C@@H]1CCCN(C)[C@H]1c1cnn(C)c1)/C(O)=N/CC[C@@H]1CCCO1 328631693 RICFJTWNBWOJRB-RYQLBKOJSA-N 363.506 2.218 30 50 FEEA COC1(/C(O)=N/Cc2ccccc2CN2CCC(O)CC2)CCOCC1 328823676 RGFRJKSFNIMHIA-UHFFFAOYSA-N 362.470 2.295 30 50 FEEA Cn1cc(C#N)cc1C(=O)N1CCC2(CCC(=O)N(CC3CC3)C2)CC1 91695141 VQHTWWGEGCUADN-UHFFFAOYSA-N 354.454 2.152 30 50 FEEA Cc1c(CN2C[C@@H]3CC[C@H]2CN(C(=O)c2ccncc2)C3)cc(C#N)n1C 1565512040 IPHDQLLXFZZABJ-LPHOPBHVSA-N 363.465 2.337 30 50 FEEA O=C(C#CC1CCNCC1)N(Cc1ccsc1)[C@@H]1CC12CCNCC2 952895090 SRLJYPAWDJNPEV-GOSISDBHSA-N 357.523 2.222 30 50 FEEA N#Cc1cn[nH]c1C(=O)Nc1ccc(F)c(-c2cn(CC3CC3)nn2)c1 1875407508 BMSHQEPLEDCBHU-UHFFFAOYSA-N 351.345 2.341 30 50 FEEA Cn1c(N(CCc2ccccc2F)C2CCCC2)c(C#N)c(=O)n(C)c1=O 225521040 QFXPKMAONZFNCA-UHFFFAOYSA-N 370.428 2.086 30 50 FEEA CC(=O)[C@H](/C=N/OCc1ccc([N+](=O)[O-])cc1)C(=O)Nc1nccs1 4051749 YTHPMJUMUFERMU-TVYFDWKESA-N 362.367 2.398 30 50 FEEA C=CCCC(=O)N1CCC[C@@]2(CCC(=O)N(Cc3cnc(C)cn3)C2)C1 77392575 GACRWHGESPTBCY-HXUWFJFHSA-N 356.470 2.482 30 50 FEEA O=[N+]([O-])c1cccc(S(=O)(=O)N/N=C\c2cc(Cl)ccc2O)c1 17073536 WQIRQJXGZRHCNK-NVNXTCNLSA-N 355.759 2.266 30 50 FEEA O=C1O/C(=C\NN/C(C[N+](=O)[O-])=N/c2ccc(F)cc2)c2ccccc21 13125364 FJTTWKMFIBNIKW-DHDCSXOGSA-N 356.313 2.396 30 50 FEEA C=CCn1nc(C(=O)N2CCCCC2)c2c1CC[C@@H](NCC(C)(C)CO)C2 14749944 DWNRHNYFVYDKPO-MRXNPFEDSA-N 374.529 2.161 30 50 FEEA Cc1nc([C@H]2CNC(=NCCN=c3ccc4ccccc4[nH]3)N2)cs1 2325826564 FVLITWSLGWLDPY-OAHLLOKOSA-N 352.467 2.124 30 50 FEEA COc1cc(NC(C)=O)c(OC)cc1NN=C1C(=O)CC(C)(C)CC1=O 1221173 TWTVLRIFVOTGBT-UHFFFAOYSA-N 361.398 2.388 30 50 FEEA CC(C)OCCCNC(=O)c1c(O)c2ccccc2n(CCC#N)c1=O 170624756 JIEHGVTXADNPTO-UHFFFAOYSA-N 357.410 2.166 30 50 FEEA CC1(C)CC(=O)C=C(C(=O)N2CCC[C@@H](CCC(=O)N3CCCC3)C2)O1 12596283 YVCNICGUVTZLSN-HNNXBMFYSA-N 362.470 2.280 30 50 FEEA C=CCN1C[C@@]2(C(=O)O)CN(Cc3ccc(F)c(Cl)c3)C[C@H]2C1=O 72468804 FOTLGIRLLJPWSE-SJCJKPOMSA-N 352.793 2.010 30 50 FEEA C=CCOc1ccccc1NC(=O)N1CCC(c2nnc(CO)n2C)CC1 97495075 CZBXDZWWOZOIDC-UHFFFAOYSA-N 371.441 2.284 30 50 FEEA C=C1C(=O)O[C@@H]2C=C(C)[C@@H](O)C[C@H]3O[C@]3(C)C[C@@H](OC(=O)/C(C)=C\C)[C@@H]12 253664645 DZTWAOVNNLDWNH-OWTFXEGASA-N 362.422 2.221 30 50 FEEA biogenic,in-vitro C=CCN1C[C@H](C(=O)NCc2cccnc2Oc2ccc(C)nc2)CC1=O 11937835 BOVPJHWIEHEUQU-MRXNPFEDSA-N 366.421 2.228 30 50 FEEA C=CCC(=O)N1CCC(Oc2cccc(C(=O)N(C)CCN(C)C)c2)CC1 12314465 ZSSRKUWRNBIVAQ-UHFFFAOYSA-N 373.497 2.266 30 50 FEEA C#CCCC1(CCC(=O)N[C@H](Cc2ccccc2)CN2CCOCC2)N=N1 2325892742 ZTQSGVHQBYSIKZ-LJQANCHMSA-N 368.481 2.402 30 50 FEEA CCOC(=O)[C@@H](C#N)C(c1cccc(OC)c1OC)[C@H](C#N)C(=O)OCC 44126274 HUCHRDYOUXHDTF-KBPBESRZSA-N 374.393 2.193 30 50 FEEA CN(C[C@H](O)c1cccc(C#N)c1)CC1(O)[C@H]2[C@H]3C[C@@H]4[C@H]2[C@@H]2C[C@H]4[C@@H]3[C@H]21 2325755213 JYJRQSDRGYGIFK-UNJBPPBVSA-N 350.462 2.032 30 50 FEEA Oc1ccc(/C=N/Nc2nc(N3CCCC3)nc(N3CCCC3)n2)cc1 4996859 ANAPTQSGACMEFR-CPNJWEJPSA-N 353.430 2.224 30 50 FEEA Cc1n[nH]c(C)c1[C@H]1COCCN1C(O)=Nc1cnn(CC(F)F)c1 329411838 YETRJHQKRGBYEB-GFCCVEGCSA-N 354.361 2.107 30 50 FEEA C=C(C)Cn1c(SCc2ccc(F)cc2)nc2c1c(=O)[nH]c(=O)n2C 629315 WSBUBUPOFQGBBX-UHFFFAOYSA-N 360.414 2.431 30 50 FEEA Cc1ccc(C#N)c(N2CC[C@@]3(CCCN(C4CCOCC4)C3=O)C2)n1 91574471 SZOJBICSIKOKOJ-FQEVSTJZSA-N 354.454 2.260 30 50 FEEA Cc1ccc(F)c(C(=O)NC[C@H]2CN(c3cc(C#N)ccn3)CCCO2)c1 888103550 MKRQVXLHSTUHDQ-INIZCTEOSA-N 368.412 2.426 30 50 FEEA C#CCCC1(CCNC(=O)CN2CC[C@H](c3ccccc3)NC2=O)N=N1 2325887453 SXVWOBXRRLRREM-MRXNPFEDSA-N 353.426 2.225 30 50 FEEA CCCc1cc(C(=O)N[C@@H]2CCOC[C@H]2Oc2ccc(C#N)cc2)[nH]n1 223520167 GHMHBJDJZKSZDE-SJLPKXTDSA-N 354.410 2.200 30 50 FEEA N#Cc1ccc(O[C@H]2CCOC[C@@H]2NC(=O)c2ncc(F)cc2F)cc1 1565508301 APHFULAFEIFWCN-HOTGVXAUSA-N 359.332 2.198 30 50 FEEA O=C(C1=C(O)C(=O)N(CCO)[C@@H]1c1cccc([N+](=O)[O-])c1)c1ccccc1 16956641 YWTPTNWHXBIERO-MRXNPFEDSA-N 368.345 2.165 30 50 FEEA CO[C@@](C)(C(=O)N1CCC(n2cnc(C#N)n2)CC1)c1ccccc1F 369280971 AAEAPEYENNFOOC-GOSISDBHSA-N 357.389 2.014 30 50 FEEA Cn1cc([C@@H]2[C@@H](CNc3ccc(C#N)nc3)CCC(=O)N2C2CC2)cn1 952852805 MRBSYTIEQSJEDO-YJYMSZOUSA-N 350.426 2.241 30 50 FEEA CC(=O)NCc1cc(O[C@H]2CCN(c3cccc(F)c3C#N)C2)ccn1 886041086 NIMKTKWYCUKFGR-INIZCTEOSA-N 354.385 2.386 30 50 FEEA CCOc1ccccc1CN1CCN(c2ncccc2C#N)C[C@H]1CCO 107012892 DHMLHECOQXDINQ-LJQANCHMSA-N 366.465 2.425 30 50 FEEA Cn1c(=O)c2cc(/C(O)=N/[C@@H]3CCCCC34CCCC4)cnc2n(C)c1=O 329755582 YCXBGDQEXGYJAR-OAHLLOKOSA-N 370.453 2.440 30 50 FEEA N#Cc1ccc(-c2ccc(C(=O)N3CCC4(CC3)CNC(=O)O4)cc2)cn1 426386354 OBPRQSLRBLOOQB-UHFFFAOYSA-N 362.389 2.335 30 50 FEEA C=CCN1CC[C@]2(CCC1=O)CN(C(=O)N(C)c1ccccc1)CCN2C 91644968 IZKKENYTPAZEIS-OAQYLSRUSA-N 370.497 2.428 30 50 FEEA CC1(C)OB(c2cncc(NS(=O)(=O)c3ccccc3)c2)OC1(C)C 169747179 UXJVHVXONVGHIL-UHFFFAOYSA-N 360.244 2.182 30 50 FEEA in-vitro C=CCC(O)(CC=C)CNC(=O)[C@H]1CCC(=O)N(CCc2ccccc2)C1 15062930 AMLSASPXFHIZQV-IBGZPJMESA-N 370.493 2.467 30 50 FEEA C=CCn1nc(C(=O)N2CCOCC2)c2c1CC[C@H](NCCC(C)C)C2 14541875 CHCZFTCBIDNEOY-INIZCTEOSA-N 360.502 2.035 30 50 FEEA C=C(C)COc1ccccc1C(=O)N1CCC2(CC1)CN(C)CCN2C 67675865 WEIBUIDKKJDRPU-UHFFFAOYSA-N 357.498 2.494 30 50 FEEA C[C@@H](C(=O)Nc1ccccc1C#N)N1CC[C@@H](OCCN2CCCCC2)C1 229881005 VGTPLZNXXXUSLG-PKOBYXMFSA-N 370.497 2.462 30 50 FEEA Cc1cc(C)c(C#N)c(N2CC[C@@H]3[C@@H](CCC(=O)N3CCCCO)C2)n1 72425895 QAWLKEMIXVSPJF-FUHWJXTLSA-N 356.470 2.160 30 50 FEEA Cc1ccc(S(=O)(=O)O[C@H]2[C@H]3[C@H]4O[C@H]5C[C@H]6[C@@H]4[C@H]2[C@H](C#N)[C@@H]6[C@@H]53)cc1 257359052 YBIUGCWLAQFQCH-UGJKWHFYSA-N 357.431 2.118 30 50 FEEA CC(C)(O)C#Cc1ccc(C(=O)N2CCN(CCc3ccccc3)CC2)o1 952989439 SBLBLXMZBQJHDM-UHFFFAOYSA-N 366.461 2.403 30 50 FEEA C#CCCC1(CCC(=O)Nc2c(CC)nn(C)c2-n2nc(C)nc2C)N=N1 2325892022 ZEIWQXHABLEXLB-UHFFFAOYSA-N 368.445 2.474 30 50 FEEA C#CC[C@H](NC(=O)c1ccc(Br)cc1OC(C)C)C(=O)O 910053050 NIPCBXHTFMBQAS-LBPRGKRZSA-N 354.200 2.443 30 50 FEEA C=CCNC(=O)c1cn(CC(C)C)cc(C(=O)NC2CCCCC2)c1=O 11812850 XTBWSRQWFCNVRQ-UHFFFAOYSA-N 359.470 2.483 30 50 FEEA C=C1[C@H]2C[C@@]3([C@@H]1O)[C@H]1C[C@H]4[C@@]5(C)CC[C@H](O)[C@@]4([C@@H]1N(CC)C5)[C@@H]3CC2=O 252441043 CBOSLVQFGANWTL-QQEGMHJDSA-N 357.494 2.000 30 50 FEEA biogenic Cc1cnc(C(=O)NCC2CCN(c3nc(C)cc(C)c3C#N)CC2)cn1 952970764 AXAIKAGKJORUPV-UHFFFAOYSA-N 364.453 2.315 30 50 FEEA N#Cc1cc(S(=O)(=O)N2CCC[C@H](C(=O)O)C2)ccc1C(F)(F)F 262143992 FIOUOKSARQSQAO-VIFPVBQESA-N 362.329 2.062 30 50 FEEA Cc1cnn(C[C@H]2CN(c3nc(C(F)(F)F)ccc3C#N)CCO2)c1 115517837 ZCPOVBNTRLOMHW-CYBMUJFWSA-N 351.332 2.382 30 50 FEEA N#Cc1ccccc1C(=O)N1CCC[C@H](c2n[nH]c(=O)n2-c2ccccc2)C1 67691835 CWYQZFZGZYDXJJ-INIZCTEOSA-N 373.416 2.452 30 50 FEEA C#CC[C@@]1(C(=O)NCC(C)(C)CN(C)C)CCCN1C(=O)OC(C)(C)C 253422971 OAIHOTHALLQEKG-FQEVSTJZSA-N 365.518 2.483 30 50 FEEA Cc1noc(C)c1[C@H](C)C/N=C(/O)N1C[C@H](N2CCOCC2)C[C@@H]1C 329235578 NPHKMJDTFKGQKK-DVOMOZLQSA-N 350.463 2.104 30 50 FEEA O/C(=N/CC[C@@H]1COc2ccccc2O1)N1CCOC2(CCOCC2)C1 330122877 AKSIODLZXYMCOB-OAHLLOKOSA-N 362.426 2.012 30 50 FEEA Cc1nc(C#N)cc(=NC[C@@H]2CC(C)(C)CC[C@@H]2NC(=O)[C@H]2C[C@H]2C)[nH]1 1875408025 MRAJFIXHYKLHKP-QCPWZWHMSA-N 355.486 2.458 30 50 FEEA C#CCCC1(CCNC(=O)[C@@H]2CC(c3cc(OC)ccc3OC)=NO2)N=N1 2325891520 MFBWEHVCXGFDFM-KRWDZBQOSA-N 370.409 2.279 30 50 FEEA C#CCOc1ccccc1CNc1cccc(NC(=O)NCCC(N)=O)c1 225492719 YJVKIVNKXDDEOQ-UHFFFAOYSA-N 366.421 2.308 30 50 FEEA Cc1ncoc1/C(O)=N/C1CCN(S(=O)(=O)Cc2ccccc2)CC1 329969390 UMZZTQDCZLYRCR-UHFFFAOYSA-N 363.439 2.282 30 50 FEEA N#Cc1ccc(N2CC[C@H](C(=O)Nc3ccc4nncn4c3)C2)c(F)c1 376399839 ZCWSZPHWWUEQOP-ZDUSSCGKSA-N 350.357 2.205 30 50 FEEA C=CCc1c(C)nc(N)nc1NCCS(=O)(=O)c1ccc(F)cc1 95383357 ZNLAXSSYZJQVLC-UHFFFAOYSA-N 350.419 2.121 30 50 FEEA N#Cc1cnc(N[C@@H]2CCN(C(=O)[C@@H]3C[C@@H]3F)CCC2(F)F)c(F)c1 1875407461 AHYGIZBIBWPQQZ-NTZNESFSSA-N 356.323 2.489 30 50 FEEA C=CCNc1nc2c(C)cccn2c(=O)c1/C=C1\SC(=S)NC1=O 100642399 AQEUNUMFCNNMOF-FLIBITNWSA-N 358.448 2.090 30 50 FEEA Cc1ccc(C#N)c(N2CCC3(CCC(=O)N([C@@H]4CCN(C)C4)C3)CC2)n1 91914710 JLURYLZGWXTRJM-GOSISDBHSA-N 367.497 2.175 30 50 FEEA N/C(=N\OC(=O)c1cccc(I)c1)c1ccncc1 13810512 SOWKTIRLXOJJSO-UHFFFAOYSA-N 367.146 2.164 30 50 FEEA C=C(C)CNC(=O)c1coc(CN2CCN(c3ccccc3F)CC2)n1 64143623 XLJRKKBIMTWEGH-UHFFFAOYSA-N 358.417 2.442 30 50 FEEA COc1ccc(NC(=O)NC2CCN(c3cnccn3)CC2)cc1C#N 299782401 FZFNYLQCDGPVAU-UHFFFAOYSA-N 352.398 2.147 30 50 FEEA C#CCCC1(CCC(=O)N2CCCN(Cc3cnn(CC)c3)CC2)N=N1 952880786 LUYBBTUZADLUQI-UHFFFAOYSA-N 356.474 2.293 30 50 FEEA Cn1cnc(C#N)c1CN[C@@H]1CCc2cc(Br)ccc2NC1=O 2325789080 KWHKFIVVRLCFTF-CYBMUJFWSA-N 374.242 2.097 30 50 FEEA Cc1cncc(N=C(O)N2CCO[C@H](c3ccnc(N4CCCC4)n3)C2)c1 328626751 MAVDRSKAZHWNRK-KRWDZBQOSA-N 368.441 2.399 30 50 FEEA CCCC(=O)N1CCc2nc(N)c(C#N)c(-c3cnc(CC)nc3)c2C1 72165270 GYECSZKSQHBUHX-UHFFFAOYSA-N 350.426 2.240 30 50 FEEA C=CCn1nc(C(=O)N2CCN(C)CC2)c2c1CC[C@H](N(C)CCCC)C2 14530449 IXLWCVGGYMBAEW-KRWDZBQOSA-N 373.545 2.046 30 50 FEEA COc1ccc(/C=N/N(C)C2=NS(=O)(=O)c3cc([N+](=O)[O-])ccc32)cc1 4360866 PQQAAXMAPQGFJQ-LICLKQGHSA-N 374.378 2.018 30 50 FEEA C=CCN(Cc1cc(Cl)n(C)n1)S(=O)(=O)c1ccc(OC)cc1 863452880 YXDZMVAEDBVNKV-UHFFFAOYSA-N 355.847 2.459 30 50 FEEA CCCN(CC#Cc1ccccc1)C(=O)c1cc2ncc(CCO)cn2n1 55244886 XFMMDTXYOWQEJA-UHFFFAOYSA-N 362.433 2.168 30 50 FEEA N#CC1CCC(CNC(=O)Cn2nc(-c3ccccc3)ccc2=O)CC1 225654743 XGYYWBXLCKDHFB-UHFFFAOYSA-N 350.422 2.356 30 50 FEEA C=CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1cc(OC)c(OC)c(OC)c1 4113707 VHSCYUIKWCEHGJ-HNNXBMFYSA-N 362.382 2.070 30 50 FEEA C=C(C)C1(n2[nH]c(=O)n(C)c2=O)[C@H]2CC[C@H]1c1c(F)c(F)c(F)c(F)c12 101049657 SEVZBARAHBYXQQ-YUMQZZPRSA-N 369.318 2.378 30 50 FEEA C[C@H](/N=C(/O)N(C)C[C@@H]1CCCN(C)[C@H]1c1cnn(C)c1)[C@H]1CCCO1 328634221 TUMLYAWSTUZPLG-CWLKWCNXSA-N 363.506 2.216 30 50 FEEA C[C@H](N)[C@H]1CCCCN1S(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1 237575921 NKNMQSSUQGBTIT-IINYFYTJSA-N 361.389 2.467 30 50 FEEA CN1CCN(Cc2ccc(C#N)cc2)C[C@]12CCC(=O)N(CC1CC1)CC2 230176052 MAFWGNIMEYLDHG-JOCHJYFZSA-N 366.509 2.467 30 50 FEEA COCC(=O)N1C[C@H](CN=c2[nH]c3ccccc3c(C)c2C#N)C[C@@H]1C 1875337201 QCOMHRSMMHLPRP-ZFWWWQNUSA-N 352.438 2.132 30 50 FEEA COc1ccc(F)cc1/C(O)=N/C1CC(N(CC(=O)O)CC2CC2)C1 328632519 LJQVHPDCCXOIBK-UHFFFAOYSA-N 350.390 2.467 30 50 FEEA O=S1(=O)CCC[C@@H]1C/N=C(/O)N1CCO[C@@H](c2ccc(Cl)cc2)C1 330076618 MKMFAQBFDUIUGL-HUUCEWRRSA-N 372.874 2.205 30 50 FEEA C=CCn1cc(CNCCN2N=C(c3ccccc3)CCC2=O)c(C)n1 55196490 CVQWHYWSOOVSOQ-UHFFFAOYSA-N 351.454 2.494 30 50 FEEA C#C[C@](C)(CC)NC(=O)[C@@H](C)n1nc([N+](=O)[O-])c(Br)c1C 1073219 LUDDUTYTPRRTAB-NOZJJQNGSA-N 357.208 2.341 30 50 FEEA C=CC[C@H]1CC=C[C@H](C)N1C(=O)CSc1nc2nc(C)cc(O)n2n1 208460122 GKDGKRHAIJLQMS-STQMWFEESA-N 359.455 2.352 30 50 FEEA C#CCC1(C(=O)OCC)CCN(C(=O)NC[C@H](C)Cn2ccnc2C)CC1 1875288991 OOLUCXXXXZMVNS-INIZCTEOSA-N 374.485 2.206 30 50 FEEA OC(=Nc1cccnc1)N1CCO[C@H](c2ccnc(N3CCCC3)n2)C1 328632157 RQZADPRFMVGPBI-INIZCTEOSA-N 354.414 2.091 30 50 FEEA O=C1[C@@H](/N=C(/O)N2CCCCO2)CCN1c1cccc(Br)c1 328715450 SULRHIBZWZMCDT-ZDUSSCGKSA-N 368.231 2.496 30 50 FEEA Cc1ncsc1CN1C[C@@H](F)C[C@H]1CN(C)C(=O)c1cc(C#N)c[nH]1 275570651 XOHODPWHOLKHJN-KBPBESRZSA-N 361.446 2.336 30 50 FEEA Cc1ncc(CN(CCN(C)C)Cc2ccc(C#CC(C)(C)O)s2)[nH]1 1704315408 CGMBLCSKEVBQHN-UHFFFAOYSA-N 360.527 2.466 30 50 FEEA N#CCCCS(=O)(=O)N1CCN(Cc2ccc(F)cc2Cl)CC1 111328353 DUMUETLAUZXVGA-UHFFFAOYSA-N 359.854 2.230 30 50 FEEA Cc1nc(CC(=O)N[C@H]2CCOC[C@@H]2Oc2ccc(C#N)cc2)cs1 1565506762 JDDJQRBBDUFPHS-IRXDYDNUSA-N 357.435 2.218 30 50 FEEA N#Cc1cccc(S(=O)(=O)NC(=O)Cc2csc(-c3ccoc3)n2)c1 170634795 PPPLCNHSICBVNS-UHFFFAOYSA-N 373.415 2.322 30 50 FEEA COc1cc(Br)c2c3c1O[C@@H]1CC(=O)C=C(CN(C=O)C2)[C@@H]31 214473662 PJVUSCPECBNUTJ-TZMCWYRMSA-N 364.195 2.174 30 50 FEEA C#CCCC1(CCNC(=O)C[C@@H](c2ccccc2)N2CCNC2=O)N=N1 2325901051 RTIXVRKEXLMENK-INIZCTEOSA-N 353.426 2.225 30 50 FEEA Cc1cc(C#N)cnc1C(=O)N1CCC(n2nnc3c2CCCC3)CC1 1875253386 VWAPEOUWUYJICG-UHFFFAOYSA-N 350.426 2.209 30 50 FEEA O=C(OCc1ccccc1)Oc1cncc(C(=O)ON2C(=O)CCC2=O)c1 1203570 MSHXDLBXDSKNCJ-UHFFFAOYSA-N 370.317 2.018 30 50 FEEA CC(=O)C1=C(O)C(=O)N(CCC(=O)O)[C@@H]1c1ccc(Br)cc1 4126036 KTEOAONWEVUWBG-CYBMUJFWSA-N 368.183 2.208 30 50 FEEA Cc1cc(C)nc(S[C@@H](C)C(=O)N2CCCn3nc(C#N)cc3C2)n1 584887155 YFHDZEAPDNQCKW-ZDUSSCGKSA-N 356.455 2.075 30 50 FEEA Cc1nnc(N(C)C[C@@H]2CCCN(C)[C@H]2c2ccnn2C)c(C#N)c1C 284503067 BQLXXQXGYDPEJP-MAUKXSAKSA-N 353.474 2.218 30 50 FEEA Cc1nsc(N2CCN([C@H]3CCc4ccccc4NC3=O)CC2)c1C#N 289551633 UMMGUWCGXIBUKA-KRWDZBQOSA-N 367.478 2.399 30 50 FEEA Cc1noc(C)c1CN1C[C@@H]2CC[C@H](C1)N(C(=O)c1ccc(C#N)nc1)C2 91757208 DAZWTPXSTXZAQX-MAUKXSAKSA-N 365.437 2.295 30 50 FEEA Cc1ccccc1CC(=O)N1CCN(C(=O)c2cc(C#N)oc2C)CC1 332446014 CQSHEPRGMVAXHF-UHFFFAOYSA-N 351.406 2.295 30 50 FEEA N/C(=N\OS(=O)(=O)c1ccc(Cl)cc1)c1ccc([N+](=O)[O-])cc1 4690075 KVFHSBXNOLVSKX-UHFFFAOYSA-N 355.759 2.274 30 50 FEEA CN(C)c1nc2c(s1)[C@@H](c1ccc(C#CC(C)(C)O)cc1)CC(=O)NC2 65435648 NRXAOQPTYPHOFC-OAHLLOKOSA-N 369.490 2.483 30 50 FEEA Cc1noc(C)c1CCC(=O)N1CCCN(c2cccc(C#N)n2)CC1 1772805100 YVYZWTGHSUMUCG-UHFFFAOYSA-N 353.426 2.230 30 50 FEEA C[C@@H]1O[C@H](C)Cc2c(C(=O)N3CC(Oc4cccc(C#N)c4)C3)n[nH]c21 1875396365 CZJVECSXMIRGRE-NEPJUHHUSA-N 352.394 2.207 30 50 FEEA CCOc1cc(C#N)ccc1OCC(=O)NCc1ccc2c(c1)OCO2 4487287 LXZGIJLEOLJDAA-UHFFFAOYSA-N 354.362 2.381 30 50 FEEA N#Cc1cccnc1N1CCC(NC(=O)c2scc3c2OCCO3)CC1 299782621 UBMSYTWWIKYJSW-UHFFFAOYSA-N 370.434 2.185 30 50 FEEA Cc1cc(C)c(C#N)c(N2CCCN(C(=O)Cc3c(C)noc3C)CC2)n1 1772811210 RIXTYLCUGDQQHW-UHFFFAOYSA-N 367.453 2.456 30 50 FEEA C=C(C)CN(CC)[C@H]1CCc2c(c(C(=O)N3CCSCC3)nn2C)C1 14755480 LJWZWCHUPTYBKU-HNNXBMFYSA-N 362.543 2.364 30 50 FEEA CCn1nccc1[C@@H]1OCC[C@H]1CNCc1cnc2ccc(C#N)cn12 328656667 ZNNKXSDAUWBCQG-HNAYVOBHSA-N 350.426 2.290 30 50 FEEA O=S(=O)(c1ccc(OC[C@H]2CO2)cc1)c1ccc(OC[C@H]2CO2)cc1 853005 RLTACIWKRKVZKZ-HOTGVXAUSA-N 362.403 2.075 30 50 FEEA COc1cnc(N(C)C(=O)C[C@H]2CCCN(/C(O)=N/CC(C)C)C2)nc1 330849139 PAPJKRWFVZVXNU-CQSZACIVSA-N 363.462 2.120 30 50 FEEA CN/C(=N\[N+](=O)[O-])NCC(F)(F)c1ncc(C(F)(F)F)cc1Cl 261494800 HSOHJFHJAMEGLO-UHFFFAOYSA-N 361.658 2.202 30 50 FEEA CC[C@H](C)C(=O)Nc1ccccc1C(=O)N1CCn2nc(C#N)cc2C1 952871852 CZBVFTCICPOOEX-ZDUSSCGKSA-N 351.410 2.395 30 50 FEEA CCCn1cc(C(=O)N[C@H]2COCC[C@@H]2Oc2ccc(C#N)cc2)c(C)n1 1565516374 NWUQPKMKZZANDM-OALUTQOASA-N 368.437 2.440 30 50 FEEA O=C1C=CC=C/C1=C1\N/C(=C2/C=CC=CC2=O)N(c2ccc(C(=O)O)cc2)N1 14880008 FMSOAWSKCWYLBB-VBGLAJCLSA-N 373.368 2.112 30 50 FEEA in-vitro C=CCN1CC[C@]2(CCC1=O)CN(Cc1ccc(OC)c(O)c1)CCN2C 108013486 ZHAJCYUZZKUYQB-OAQYLSRUSA-N 373.497 2.086 30 50 FEEA C=C(C)CN(CC)C(=O)[C@@H](C)N1CCc2c(nnn2-c2ccccc2)C1 433203347 BHZRLXASTLVVET-MRXNPFEDSA-N 353.470 2.439 30 50 FEEA Cn1ncc(-c2c(C#N)c(N)nc3c2CN(c2ncccn2)CC3)c1C1CC1 72120931 KLWNJGUNTXCXPB-UHFFFAOYSA-N 372.436 2.166 30 50 FEEA C=CCN1CCc2c(c(C(=O)NCc3ccc(OC)cc3)nn2CC)C1 14740570 UGWJPBXIHXAKBA-UHFFFAOYSA-N 354.454 2.386 30 50 FEEA CN1CCN(Cc2ccc(Cl)c(B3OC(C)(C)C(C)(C)O3)c2)CC1 169956133 IIFYIGHEJDTKNT-UHFFFAOYSA-N 350.699 2.387 30 50 FEEA N#Cc1cc2c(cc1NC(=O)Cn1c(=O)sc3ccccc31)OCO2 1432375 VTRUVAHIZIKNLR-UHFFFAOYSA-N 353.359 2.302 30 50 FEEA N#CC1(c2ccccc2)CCN(C(=O)NCCN2CCCC[C@H]2CO)CC1 426485628 MGUCKPGUIWJLGD-IBGZPJMESA-N 370.497 2.100 30 50 FEEA C=CCNC(=O)c1cccc(S(=O)(=O)N[C@H](CC)c2ccncc2)c1 95504066 YNPCZQZFNPRXMW-QGZVFWFLSA-N 359.451 2.427 30 50 FEEA COc1cc(-c2c(C#N)c(N)nc3c2CN(C)CC3)cc(OC)c1OC 18241824 KVHBGQQXYWWNAM-UHFFFAOYSA-N 354.410 2.216 30 50 FEEA N#Cc1c[nH]c(CN2CCCN(Cc3ccccc3)CC(F)(F)C2)nc1=N 2325793499 WXYVEGFDNVOOTK-UHFFFAOYSA-N 372.423 2.104 30 50 FEEA Cc1ccccc1Cc1nnn(CC(=O)N(C)C2(C#N)CCCCC2)n1 153191779 INHKQPSAKJCLOE-UHFFFAOYSA-N 352.442 2.257 30 50 FEEA CC(C)(O)C#Cc1ccc(C(=O)NCc2nnc(-c3ccccc3)o2)o1 216100138 ZRRYKEFKDPBLSS-UHFFFAOYSA-N 351.362 2.382 30 50 FEEA Cc1c(C#N)cccc1C(=O)N[C@H]1C[C@@H](NC(=O)[C@H]2CCCO[C@H]2C)C1 1875407101 SOCZQCWOXKWVBB-SCNOPHJPSA-N 355.438 2.059 30 50 FEEA C#CCCC1(CCNC(=O)c2cc(C(=O)O)nn2-c2ccccc2)N=N1 2325901046 RQCNSXQLMUYXNZ-UHFFFAOYSA-N 351.366 2.266 30 50 FEEA Cc1cccc([C@@H](C(=O)N2CCN(c3ccc(C#N)cn3)CC2)N(C)C)c1 95370231 DYPWHACJOQWPEN-FQEVSTJZSA-N 363.465 2.213 30 50 FEEA CN(Cc1nccs1)[C@@H]1CC12CCN(C(=O)c1cc(C#N)c[nH]1)CC2 275634162 JSKXCMZTTZONKJ-OAHLLOKOSA-N 355.467 2.470 30 50 FEEA CN1CCN(Cc2c(Cl)cccc2B2OC(C)(C)C(C)(C)O2)CC1 169955981 ZFOGHCPIVFYEAS-UHFFFAOYSA-N 350.699 2.387 30 50 FEEA Oc1ccccc1/C=N/N=C(c1ccccc1)C12CN3CN(CN(C3)C1)C2 952853094 HFDYODJRAXLSDH-SUIYTFHKSA-N 361.449 2.021 30 50 FEEA C=CCC1(C(=O)NCCCC(=O)NC)CCN(C(=O)OC(C)(C)C)CC1 1875278346 RCGSHNCCAXCFBG-UHFFFAOYSA-N 367.490 2.222 30 50 FEEA C#CCOc1c(Br)cc(/C=C2/NC(=O)NC2=O)cc1OCC 13895089 XFJHMHIECXCRRR-YRNVUSSQSA-N 365.183 2.040 30 50 FEEA COCCCN1CCC[C@]2(CCN(C(=O)c3cccc(C#N)c3)C2)C1=O 91650727 IQPZJZGBKSDOKF-HXUWFJFHSA-N 355.438 2.049 30 50 FEEA Cn1c(Cn2cccn2)nnc1C1CCN(Cc2ccccc2C#N)CC1 91548537 WMVXMPKOYUCWHY-UHFFFAOYSA-N 361.453 2.311 30 50 FEEA N#Cc1cc(C(=O)N2CC[C@@H](Oc3cccnc3N3CCCC3)C2)c[nH]1 275512774 DGSPNZJYQGPUMJ-MRXNPFEDSA-N 351.410 2.175 30 50 FEEA N#Cc1ccc(Oc2ccc(S(N)(=O)=O)nc2)cc1Br 2325841417 TYZANUBUIUCYDV-UHFFFAOYSA-N 354.185 2.155 30 50 FEEA CCOC(=O)[C@@H](C#N)C(=O)c1ccc(N2C(=O)c3ccccc3C2=O)cc1 715210 CINODLCVSWOZOP-INIZCTEOSA-N 362.341 2.373 30 50 FEEA COc1cccc(CN2CCN(c3nc(C)ccc3C#N)C[C@@H]2CCO)c1 106988860 NBFLEEPYMMXUSK-IBGZPJMESA-N 366.465 2.344 30 50 FEEA N#C[C@@H]1CN(C(=O)c2ccnc3ccncc23)CCN1Cc1ccccc1 185659878 AIIJEGSZNZQQPD-QGZVFWFLSA-N 357.417 2.480 30 50 FEEA C#CCN(CC=C)C(=O)c1cc(OC)ccc1OC1CCN(C(C)=O)CC1 12597439 JXQCUXRYPSSFND-UHFFFAOYSA-N 370.449 2.346 30 50 FEEA N#Cc1ccccc1CS(=O)(=O)NC(=O)c1ccc(C(F)(F)F)cn1 916177816 AAIAKHYJAZEFFF-UHFFFAOYSA-N 369.324 2.232 30 50 FEEA C#CCCC1(CCC(=O)N[C@H]2CC(=O)N(c3cccc(OC)c3)C2)N=N1 952882236 STNSQZIQFILGTA-AWEZNQCLSA-N 354.410 2.272 30 50 FEEA C#CCCC1(CCC(=O)N[C@](C)(COc2ccccc2)C(=O)OC)N=N1 2325892125 AHUFYPXYGVINHJ-GOSISDBHSA-N 357.410 2.469 30 50 FEEA Cc1c(C(=O)N2CCC([C@H](O)Cc3ccccc3)CC2)c[nH]c(=O)c1C#N 77486118 HXSFZAJEBCAEPZ-LJQANCHMSA-N 365.433 2.011 30 50 FEEA CS(=O)(=O)N(CCc1ccc(C#N)cc1)CCc1ccc(C#N)cc1 217046901 HZSKLGXGFJFYMB-UHFFFAOYSA-N 353.447 2.477 30 50 FEEA COc1ccc(NC(=O)N2CCN(c3nc(C)cnc3C)CC2)cc1C#N 95518991 IGISBCKZWLUOJL-UHFFFAOYSA-N 366.425 2.328 30 50 FEEA C=C1[C@H]2C[C@@]3([C@@H]1O)[C@H]1C[C@H]4[C@@]5(C)CC[C@H](O)[C@@]4([C@H]1N(CC)C5)[C@@H]3CC2=O 253369397 CBOSLVQFGANWTL-AWLIXANXSA-N 357.494 2.000 30 50 FEEA biogenic C=CCNC(=O)c1ccccc1NC(=O)c1ccccc1NS(C)(=O)=O 6268779 KOFZPZVNURJWSF-UHFFFAOYSA-N 373.434 2.226 30 50 FEEA N#Cc1cccnc1N1CCN(Cc2ccc(F)c(F)c2)[C@@H](CCO)C1 106964240 PIPRUDHMCHWANO-INIZCTEOSA-N 358.392 2.305 30 50 FEEA CCCS(=O)(=O)N1CCCC[C@@H]1/C(O)=N/Cc1nc2cccnc2[nH]1 328714428 DBXFJPRUNWWFEQ-CYBMUJFWSA-N 365.459 2.009 30 50 FEEA C=CCNC(=O)[C@H](C#N)C(=O)c1ccc(-c2noc(C(F)(F)F)n2)cc1 253397377 YJOUHQUFUAUMKF-LLVKDONJSA-N 364.283 2.380 30 50 FEEA C=CCN(C)Cc1ccc(OC[C@@H](O)CN2CCSCC2)c(OC)c1 95501700 NMLLWACBHFKCNG-KRWDZBQOSA-N 366.527 2.102 30 50 FEEA C#CCCC1(CCC(=O)N(C)[C@H]2CC(=O)N(Cc3ccccc3)C2=O)N=N1 1875382073 PTSJHLTXASIEEV-INIZCTEOSA-N 366.421 2.128 30 50 FEEA O=C(/C=C/c1ccnn1CC1CCC1)c1ccc2[nH]c(=O)c(=O)[nH]c2c1 888096661 GVANDUWDWNWXNZ-FNORWQNLSA-N 350.378 2.109 30 50 FEEA COC(=O)c1cc(C#N)c(N2CCC[C@]3(CCc4c[nH]nc43)C2)nc1C 2356143723 ULGHNEHIRABZFB-IBGZPJMESA-N 351.410 2.256 30 50 FEEA C[C@H](CNC=C1C(=O)CC(C)(C)CC1=O)NC=C1C(=O)CC(C)(C)CC1=O 100319842 HDMCVQCLWMVRCV-CYBMUJFWSA-N 374.481 2.238 30 50 FEEA C=C(C)COc1cccc(C(=O)N2CCCN(C(=O)[C@H]3CCCO3)CC2)c1 55166546 JQQHKQKOQQONRL-LJQANCHMSA-N 372.465 2.495 30 50 FEEA C=CCN(C)c1nc(N(C)C)nc2c1CCN(Cc1ccncc1)CC2 72420255 UGRVEYRZJQZTAJ-UHFFFAOYSA-N 352.486 2.161 30 50 FEEA CCc1cnc(CN(C(C)=O)[C@@H]2CCN(Cc3cc(C#N)n(C)c3)C2)o1 372814167 YKXLPYGUGHSVAV-MRXNPFEDSA-N 355.442 2.070 30 50 FEEA CN(CCC(=O)Nc1sccc1C#N)Cc1nc2ccsc2c(=O)[nH]1 131605318 CEMSXKQRQFPTFH-UHFFFAOYSA-N 373.463 2.378 30 50 FEEA N#Cc1ccccc1-c1ccc(C(=O)N2C[C@@H](CCO)[C@@H](CO)C2)cc1 1875308625 OUZNICPVYXGEES-RTBURBONSA-N 350.418 2.288 30 50 FEEA N#Cc1nc(N2C[C@@H]3C[C@H](NC(=O)c4cccnc4)[C@H]3C2)sc1Cl 1875329368 RYXAZQPQONEULO-SRVKXCTJSA-N 359.842 2.318 30 50 FEEA C=CCn1c(SCC(=O)Nc2nc3ccccc3s2)nc(O)cc1=O 2870981 MURSHQPYPXRBSP-UHFFFAOYSA-N 374.447 2.475 30 50 FEEA C=C(C)CNC(=O)C[C@@H]1C(=O)NCCN1Cc1cccc(C(F)(F)F)c1 55133258 PHYKAXQOWQOGKX-OAHLLOKOSA-N 369.387 2.088 30 50 FEEA CN(C[C@@H]1CCCN(C)[C@H]1c1cnn(C)c1)/C(O)=N/C[C@]1(C)CCCO1 328622550 ILSURVANRLFTKG-WDYCEAGBSA-N 363.506 2.218 30 50 FEEA C/C(O)=N/S(=O)(=O)c1ccc(NC(=S)NC(=O)C(C)(C)C)cc1 2825661 GCMRCCNEPIXZQI-UHFFFAOYSA-N 357.457 2.211 30 50 FEEA C=CCn1cc(C(=O)N(Cc2ccsc2)[C@H]2CC23CCNCC3)nn1 952887995 XWCUOIXXXSJDSK-INIZCTEOSA-N 357.483 2.310 30 50 FEEA C#CCn1cc(CN2CCN(c3ncccc3C(N)=O)CC2)c2ccccc21 65436170 SBYBYFIGIOZVDL-UHFFFAOYSA-N 373.460 2.091 30 50 FEEA C=CCn1c(S)nc2cc(C(=O)NCCC3=CCOCC3)ccc2c1=O 121366418 QEZRXWHUOBZPRP-UHFFFAOYSA-N 371.462 2.338 30 50 FEEA N#Cc1ccccc1C(=O)N1C[C@H]2CC[C@@H]1CN(C(=O)c1ccccn1)C2 91644358 GEAASTOYMLXSAR-DOTOQJQBSA-N 360.417 2.330 30 50 FEEA Cc1nc(C#N)c(N2CCC(C(=O)N(C)CCc3nccs3)CC2)o1 276574756 KSYWDNSVSAXJMT-UHFFFAOYSA-N 359.455 2.229 30 50 FEEA Cc1ccc(N=C(O)N2CCO[C@@H](c3ccnc(N4CCCC4)n3)C2)nc1 328622819 IRNXEOWWXFJLLO-MRXNPFEDSA-N 368.441 2.399 30 50 FEEA C[C@H](O)c1cc2n(n1)CCN(C(=O)CC1=C(c3ccccc3)CCC1=O)C2 218063532 WHMZRMWVQGJONX-AWEZNQCLSA-N 365.433 2.485 30 50 FEEA N#Cc1ccc(N2CC[C@@H](C(=O)Nc3ccc4nncn4c3)C2)c(F)c1 376399837 ZCWSZPHWWUEQOP-CYBMUJFWSA-N 350.357 2.205 30 50 FEEA CC(C)CN1CCN(S(=O)(=O)c2ccc(C#N)cc2Cl)[C@@H](C)C1=O 494377215 MGUIAKNPTGGPPI-LBPRGKRZSA-N 369.874 2.089 30 50 FEEA N#Cc1ccc(F)cc1CN1C(=O)N[C@@]2(CCOc3ccccc32)C1=O 121884302 FNHGPMLEESTIBW-LJQANCHMSA-N 351.337 2.427 30 50 FEEA C[C@@]12CC[C@@H]3[C@]4(CCC5=CC(=O)CC[C@]53[C@H](O)O4)[C@H]1CC[C@H]2C(=O)CO 257349414 NZXFRHUXGRUMMY-IMZMXXRRSA-N 360.450 2.147 30 50 FEEA CN1CCC[C@]2(C(=O)O)CCN(c3nc4c(cc3C#N)CCCC4)C[C@@H]12 1704340342 ZZYDNUYGXHKLHJ-XLIONFOSSA-N 354.454 2.207 30 50 FEEA Cc1ccn(CCC(=O)N2CCCN(Cc3ccc(C#N)cc3)CC2)n1 1772704425 BFWXERJLHSFHBH-UHFFFAOYSA-N 351.454 2.188 30 50 FEEA O=S(=O)(c1ccc(OC[C@@H]2CO2)cc1)c1ccc(OC[C@H]2CO2)cc1 13115534 RLTACIWKRKVZKZ-IYBDPMFKSA-N 362.403 2.075 30 50 FEEA CCn1cc(CN2CCC[C@@]3(CCC(=O)N(CCOC)C3)C2)cc1C#N 77319081 UUXAKTMAWKCAHA-HXUWFJFHSA-N 358.486 2.231 30 50 FEEA CC(C)(O)C#Cc1ccc(C(=O)NCCc2nc(O)c3ccccc3n2)o1 952991042 LDSMIMNBMLGQJL-UHFFFAOYSA-N 365.389 2.023 30 50 FEEA Cc1cc(C)n(CC(=O)N2CCN(Cc3ccc(C#N)cc3)C[C@H]2C)n1 170596556 IWBXEZLVCKZRCR-QGZVFWFLSA-N 351.454 2.105 30 50 FEEA C=CCNc1ccccc1C(=O)N1CCC(C(=O)N[C@@H](C)COC)CC1 65459462 HROZIAWZWFZTOU-HNNXBMFYSA-N 359.470 2.288 30 50 FEEA CC(=O)/N=C1\NC(=O)/C(=C\c2cn(C(C)=O)nc2-c2ccc(F)cc2)S1 4558389 QCKYNIZEKGISDB-VGOFMYFVSA-N 372.381 2.456 30 50 FEEA COC(=O)c1n[nH]cc1-c1cc(-c2cc(C(=O)O)cs2)nc(N)c1C#N 71749345 VEZANPKMMBXFQL-UHFFFAOYSA-N 369.362 2.139 30 50 FEEA COc1ccccc1CC(=O)N1CC(=O)N(c2ccc(C#N)cc2)C[C@@H]1C 82135209 QTQVYBYLCNJMPD-HNNXBMFYSA-N 363.417 2.373 30 50 FEEA N#Cc1ccc(C(=O)N2CCC(c3nccc(N4CCCC4)n3)CC2)[nH]1 952891884 JXQZNSZBFSDORN-UHFFFAOYSA-N 350.426 2.296 30 50 FEEA Cc1cc(C#N)cnc1N(C)CCN(C)C(=O)c1cccc2c1OCC2 1875330006 OHPHXUONTVAHFY-UHFFFAOYSA-N 350.422 2.405 30 50 FEEA Cc1nn(C)c(C)c1[C@H]1OCC[C@@H]1/N=C(/O)N[C@@H]1[C@@H]2CCO[C@H]2C1(C)C 330333994 QEUJLOUDZWNFJN-XSIBGMEISA-N 362.474 2.184 30 50 FEEA N#Cc1c(N)nc2c(c1-c1ccc(O)c(O)c1)CC1(CCNCC1)CC2 71416104 IKVVPJRYTGNFCR-UHFFFAOYSA-N 350.422 2.472 30 50 FEEA CCc1cc(C#N)ccc1NC(=O)N1CCN(C(=O)c2ccc[nH]2)CC1 95527459 BFHGTDNVWYWZGD-UHFFFAOYSA-N 351.410 2.439 30 50 FEEA N/C(=N\OC(=O)c1ccccc1I)c1ccccn1 4575837 POXDLSKDHTZSMP-UHFFFAOYSA-N 367.146 2.164 30 50 FEEA COc1cc2c(cc1-c1c(C#N)c(N)nc3c1[C@@H]1CC[C@H](C3)N1)OCCO2 75909915 OPJUDQCWGNHBIZ-MFKMUULPSA-N 364.405 2.331 30 50 FEEA C=CCNC(=O)COc1ccc(S(=O)(=O)N2CCCCC2)cc1Cl 12343784 BPFIEXSKQVSBTI-UHFFFAOYSA-N 372.874 2.196 30 50 FEEA C#CCCC1(CCC(=O)NS(=O)(=O)Cc2ccc(Cl)nc2)N=N1 2325901247 ZJMLPVJGZNTCPL-UHFFFAOYSA-N 354.819 2.037 30 50 FEEA N#Cc1ccc(N2CC[C@H](N3C[C@@H]4CN5CCCC[C@H]5[C@H]4C3)C2=O)cc1 252549666 RPEDYSZQWSRKQG-LEAZDLGRSA-N 350.466 2.080 30 50 FEEA C#C[C@@](C)(CC)NC(=O)Cn1nnc(-c2cccc(C(F)(F)F)c2)n1 4594220 RYYBEXACVIGLRR-HNNXBMFYSA-N 351.332 2.277 30 50 FEEA CCn1c(NC(=O)c2nc3nc(C)cc(C)n3n2)nc2cc(C#N)ccc21 131763715 YPSSWENAAIUVHU-UHFFFAOYSA-N 360.381 2.235 30 50 FEEA COc1cccc(/C=N/N2C(=O)[C@@H]3[C@H]4C=C[C@@H]([C@@H]5C[C@@H]45)[C@H]3C2=O)c1OC 245227046 XMHDEEIHFNLZDA-LJILHHDVSA-N 352.390 2.091 30 50 FEEA C#CCN1C(=O)[C@@](O)(CC(=O)c2cccc([N+](=O)[O-])c2)c2ccccc21 1165777 YYOJYKBRNPLZFP-LJQANCHMSA-N 350.330 2.035 30 50 FEEA COc1cccc(N(CC(=O)Nc2ccc(CC#N)cc2)S(C)(=O)=O)c1 2981798 APLPGEPULQIAOA-UHFFFAOYSA-N 373.434 2.166 30 50 FEEA COc1ccc(CN2CCN(c3nccnc3C#N)CC2)c(Cl)c1OC 65503016 PRNLGEGCIMWKPS-UHFFFAOYSA-N 373.844 2.341 30 50 FEEA Cc1cc(C)cc(C(=O)N2CCC[C@H](C(=O)N=c3cc[nH]cc3C#N)C2)c1 331821402 QCKQALLQDUBKFI-INIZCTEOSA-N 362.433 2.483 30 50 FEEA COc1ccc(/C=N/N2C(=O)[C@H]3[C@H]4C=C[C@H]([C@H]3C2=O)[C@@H]2C[C@@H]42)cc1OC 239235691 WMVSNTSUKSHDGJ-PNZLXGSGSA-N 352.390 2.091 30 50 FEEA CCOc1ccc(NC(=O)N2CCC[C@@H](CS(C)(=O)=O)C2)cc1C#N 97797215 IGYZGJXVQDAYHD-CYBMUJFWSA-N 365.455 2.245 30 50 FEEA C=C(Cl)Cn1c(=O)c(CNC[C@H](C)O)cc2cc(OC)c(OC)cc21 12039066 VFQOIVMYPJLBJM-LBPRGKRZSA-N 366.845 2.242 30 50 FEEA CC(=O)NCc1cc(O[C@H]2CCN(c3ncc(C#N)cc3Cl)C2)ccn1 886048136 YYUYEXJXVKYGOD-INIZCTEOSA-N 371.828 2.295 30 50 FEEA O=C(O)CN(CC1CC1)C1CC(/N=C(/O)Cc2ccc3c(c2)OCO3)C1 328636692 OFPFKOIELUVEFG-UHFFFAOYSA-N 360.410 2.242 30 50 FEEA N#CC1CCN(Cc2ccc(OCC(=O)NC[C@H]3CCCO3)cc2)CC1 215482144 CVTIXQZYSWPPHL-LJQANCHMSA-N 357.454 2.096 30 50 FEEA C=CCN1C(=O)/C(=C\c2ccc(N(CC)CC)cc2O)C(=O)NC1=S 13381876 LAIRTJYTOZPPED-UVTDQMKNSA-N 359.451 2.051 30 50 FEEA O/C(N=c1cc[nH]cc1F)=N/C[C@H]1CCc2nc(C(F)(F)F)cn2C1 328624081 JQXLRBCCRZZUNI-SECBINFHSA-N 357.311 2.446 30 50 FEEA C#CCCC1(CCNC(=O)c2ccc(OCC(=O)O)c(OCC)c2)N=N1 2325900615 BUMVGBMQWUADGY-UHFFFAOYSA-N 359.382 2.244 30 50 FEEA C=C(C)CNC(=O)C[C@H]1C(=O)NCCN1Cc1cccc(C(F)(F)F)c1 55133259 PHYKAXQOWQOGKX-HNNXBMFYSA-N 369.387 2.088 30 50 FEEA Cc1nnc(N2CC[C@@H](Oc3ccnc(CN(C)C)c3)C2)c(C#N)c1C 886089094 XFJZHLMBNIIRON-QGZVFWFLSA-N 352.442 2.079 30 50 FEEA N#CCCN(CC1CC1)C(=O)C(=O)Nc1nc(-c2ccccn2)cs1 328596563 CLEHXEYQBWZHDY-UHFFFAOYSA-N 355.423 2.296 30 50 FEEA Cc1n[nH]c(C)c1-c1cc(-c2ccc(OCC(N)=O)cc2)c(C#N)c(N)n1 71404251 JZZWXHMMJWFCPN-UHFFFAOYSA-N 362.393 2.074 30 50 FEEA CCOC(=O)C1=C(N)OC2=C(C(=O)CCC2)[C@H]1c1ccc2c(c1)OCO2 727468 ABVOOYYLXWYFJY-OAHLLOKOSA-N 357.362 2.270 30 50 FEEA biogenic C[C@@H]1CCCN(c2nc3c(c(=O)[nH]2)[C@@H](c2ccccc2)[C@@H](C#N)C(=O)N3)C1 67603513 CIJLSRBESACKHW-YUELXQCFSA-N 363.421 2.230 30 50 FEEA COc1cc(C#N)ccc1OCC(=O)N1[C@H](C(=O)O)C[C@H]2CCCC[C@@H]21 263727622 PAAXHLQUTWDZKX-ILXRZTDVSA-N 358.394 2.190 30 50 FEEA O=C1[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C[C@@H]34)[C@H]2C(=O)N1N=Cc1ccc(Br)o1 245226782 KWYWMVFAEKHVOI-FRVSTRGASA-N 361.195 2.429 30 50 FEEA N#Cc1ncc(C(=O)N[C@H]2CCN(C(=O)[C@H](F)c3ccccc3)C2)s1 2325871243 DHPBECKEVFSWFH-SWLSCSKDSA-N 358.398 2.056 30 50 FEEA Cc1ccc(S(=O)(=O)OCCOCCOCCOCCN=[N+]=[N-])cc1 83253981 ZYZZLMAEZYMGEU-UHFFFAOYSA-N 373.431 2.060 30 50 FEEA in-vitro C=C(C)COc1c(CN2Cc3[nH]cnc3C[C@H]2C(=O)OC)cccc1OC 55568726 GIQLILFEKIJWPI-KRWDZBQOSA-N 371.437 2.473 30 50 FEEA Cc1c(C(=O)N2CCCN(Cc3ccc(F)cc3)CC2)cnc(O)c1C#N 72463049 SLKIYRPDVGLQOU-UHFFFAOYSA-N 368.412 2.455 30 50 FEEA Cc1noc(C)c1CC(=O)N[C@H]1CCOC[C@@H]1Oc1ccc(C#N)cc1 1565507940 OFYUBXWTPQZNJT-ROUUACIJSA-N 355.394 2.058 30 50 FEEA CN(C)C(=O)c1ccc(CNC(=O)c2cccc(C#CC(C)(C)O)c2)cc1 1506415070 UMTUESVONGMXMF-UHFFFAOYSA-N 364.445 2.441 30 50 FEEA C=CCn1nc(C(=O)N2CCSCC2)c2c1CC[C@@H](NCC1CC1)C2 14746022 HWFMOGQOFZRZAU-OAHLLOKOSA-N 360.527 2.115 30 50 FEEA CC1(C)OB(c2cccc(S(=O)(=O)N3CCCCC3)c2)OC1(C)C 200976286 HFEJTQSCKABOPB-UHFFFAOYSA-N 351.277 2.160 30 50 FEEA COc1nccc(N2C[C@@H]3CC[C@H](C2)C(=O)N3Cc2cscn2)c1C#N 247816160 BHNZFMSGMDYSJX-OCCSQVGLSA-N 369.450 2.046 30 50 FEEA COCCOC(=O)C1=C(N)OC2=C(C(=O)CC(C)(C)C2)[C@H]1c1cccnc1 17440249 NUYXXLBQLZMIPW-OAHLLOKOSA-N 372.421 2.199 30 50 FEEA biogenic,in-vitro C=CCn1c(SCc2ccc(C)cc2)nc2c1c(=O)n(C)c(=O)n2C 624050 PWYFJZPNVHBTBA-UHFFFAOYSA-N 356.451 2.220 30 50 FEEA Cc1nn(C/C(N)=N/OC(=O)c2ccoc2C)c(C)c1Br 20606415 PFMJNCBWVDKCEF-UHFFFAOYSA-N 355.192 2.293 30 50 FEEA COc1cc(/C=N/N2C(=O)[C@H]3[C@H]4C=C[C@H]([C@H]3C2=O)[C@@H]2C[C@@H]42)cc(Cl)c1O 245380632 DOAZLJJZTAJMSX-YYHUAWOPSA-N 372.808 2.441 30 50 FEEA C#C[C@](C)(CC)NC(=O)Cn1nnc(-c2cccc(C(F)(F)F)c2)n1 4594218 RYYBEXACVIGLRR-OAHLLOKOSA-N 351.332 2.277 30 50 FEEA Cc1c(C(=O)N2CCC[C@H](C(=O)Cc3ccccc3)C2)c[nH]c(=O)c1C#N 77353359 YKTLHPFSOJCMBD-INIZCTEOSA-N 363.417 2.219 30 50 FEEA O/C(CN1CCN(Cc2ccccn2)CC1)=N\c1cccc2nonc12 22752413 MGPNGHLLWXDJDX-UHFFFAOYSA-N 352.398 2.024 30 50 FEEA CN(C)C(=O)N1CCC[C@@H](C(=O)N2CCC(C#N)(c3ccccc3)CC2)C1 95361539 MDAIOEZDMQKCLC-QGZVFWFLSA-N 368.481 2.464 30 50 FEEA CN(Cc1nccs1)[C@H]1CC12CCN(C(=O)c1cc(C#N)c[nH]1)CC2 275634158 JSKXCMZTTZONKJ-HNNXBMFYSA-N 355.467 2.470 30 50 FEEA C#CCCC1(CCNC(=O)c2cccc(NC(=O)[C@H]3CCCO3)c2)N=N1 2325887523 ZOKAWVLRNFXLHX-MRXNPFEDSA-N 354.410 2.500 30 50 FEEA CCOC(=O)C1=C(N)OC2=C(C(=O)CCC2)[C@@H]1c1ccccc1[N+](=O)[O-] 3191388 RZADAENORUBOQW-AWEZNQCLSA-N 358.350 2.449 30 50 FEEA C#CCCC1(CCC(=O)N(C)C[C@@H]2C[C@H](F)CN2Cc2cnn(C)c2)N=N1 2325892199 DQWVDIIGROKGLZ-IRXDYDNUSA-N 374.464 2.147 30 50 FEEA CCc1cnc(CNC(=O)N2CCN(c3cc(C#N)ccn3)CC2)s1 331860582 CMVMWSQYJXBPMH-UHFFFAOYSA-N 356.455 2.004 30 50 FEEA COc1ccc([C@H]2Nc3ccccc3C(=O)N2O)cc1CN1CCOCC1 19850665 CJZSBUJKCKLZKO-IBGZPJMESA-N 369.421 2.483 30 50 FEEA N#Cc1ccc(CS(=O)(=O)NC(=O)c2ccc(C(F)(F)F)nc2)cc1 170623582 ISQWLAYPRDGWNL-UHFFFAOYSA-N 369.324 2.232 30 50 FEEA Cc1nc(C/N=C(/O)N(C)C[C@H]2CCc3nc(C(F)(F)F)cn3C2)no1 328637413 VYBNXBFHGWBTAX-SNVBAGLBSA-N 372.351 2.202 30 50 FEEA N#Cc1ccc(N2CCC(C(=O)N[C@H]3CCOC4(CCC4)C3)CC2)nc1 1875263263 ZQMPWFJXRRJRFX-KRWDZBQOSA-N 354.454 2.388 30 50 FEEA Cc1c(Br)c([N+](=O)[O-])nn1CC(=O)Nc1ccc(C#N)cc1 1430653 ZNYONQMZSHFBPU-UHFFFAOYSA-N 364.159 2.373 30 50 FEEA CC(=O)NC1=C(C(=O)c2ccccc2)N(C)S(=O)(=O)c2ccccc21 1122572 JNTNNZXHMRLNRV-UHFFFAOYSA-N 356.403 2.008 30 50 FEEA C[C@@H]1CCCC[C@@H]1NC(=O)CN1C(=O)N[C@@](C)(c2cccc(C#N)c2)C1=O 229770023 JRXUBIGWYLKOAD-PSGMQZRDSA-N 368.437 2.020 30 50 FEEA CCOC(=O)c1cc(C#N)c(SCCCCS(C)(=O)=O)nc1C 1875261577 YHYDURWTVGGUTF-UHFFFAOYSA-N 356.469 2.355 30 50 FEEA C=CC(=O)N1CCC(C(=O)NC2CCN(c3ccccc3C#N)CC2)CC1 1875366867 PYVHEXAHWSURFB-UHFFFAOYSA-N 366.465 2.068 30 50 FEEA COc1cc(NC(=O)N2CCN(c3cnccc3C#N)CC2)cc(Cl)n1 879883565 WXYOCRSCCBYXKB-UHFFFAOYSA-N 372.816 2.364 30 50 FEEA C=CCN1CC[C@]2(CCC1=O)CN(c1ncnc3sccc13)CCN2C 107421527 NSRCILWOGHZJAK-LJQANCHMSA-N 371.510 2.380 30 50 FEEA C[C@H](CNC(=O)N1CCO[C@@H](C#N)C1)Oc1ccccc1Br 175977947 NHGVJUCQKZHGQG-NEPJUHHUSA-N 368.231 2.150 30 50 FEEA CC(C)(O)C#Cc1ccc(C(=O)N2CCC(N3CCSCC3)CC2)o1 952968858 QGFFKTPGUYEJHS-UHFFFAOYSA-N 362.495 2.055 30 50 FEEA O=C(C1=C(O)C(=O)N(CCO)[C@H]1c1ccccc1[N+](=O)[O-])c1ccccc1 13130507 NBKKKXGFYJJTBD-INIZCTEOSA-N 368.345 2.165 30 50 FEEA CO[C@@H]1CC[C@H](C(=O)NC2CCC2)C[C@H]1NC(=O)c1ccc(C#N)cc1F 1875249850 FRKSOSLWJJWJAT-MORSLUCNSA-N 373.428 2.280 30 50 FEEA CC(=O)Nc1ccc(/C(C)=N/O[C@@H]2CCCN(c3cnn(C)c3)C2=O)cc1 170642596 ZZHISRYBUDCTHV-MNOULKQQSA-N 369.425 2.315 30 50 FEEA COc1ccc(O[C@H](C)C(=O)O/N=C(\N)c2ccc(OC)c(OC)c2)cc1 5059459 OJSUXBXTZOUEKC-GFCCVEGCSA-N 374.393 2.343 30 50 FEEA Cc1nc(CN2C[C@@H](F)C[C@H]2CN(C)/C(O)=N/[C@@H]2C=CCCC2)no1 328654399 XJMUEXTXJHMTIK-ZNMIVQPWSA-N 351.426 2.245 30 50 FEEA CCN1C(=O)CC[C@H](CNc2nccc(C)c2C#N)[C@H]1c1cnn(C)c1 952887209 LBIXQOKHRUZQQB-KDOFPFPSSA-N 352.442 2.407 30 50 FEEA CCO[C@@H]1C[C@H](/N=C(/O)N2CC[C@H](n3cc(Cl)cn3)C2)[C@]12CCCO2 329539483 CKRDDOCZIWMLKV-LJIGWXMPSA-N 368.865 2.424 30 50 FEEA CC(C)(O)C#Cc1ccc(C(=O)NC2CCN(C[C@H]3CCCO3)CC2)cc1 218367974 HFPRDCOILOCMNW-HXUWFJFHSA-N 370.493 2.182 30 50 FEEA C=CCN1C[C@H](C(=O)NCCCc2nc3cc(Cl)ccc3[nH]2)CC1=O 299798896 WILKQVMCJQDEAY-GFCCVEGCSA-N 360.845 2.300 30 50 FEEA Cn1c([C@H]2CCCN2CC(=O)N[C@](C)(C#N)C2CC2)nc2c1CCCC2 275569612 FFRUBXQRFZIFLJ-YLJYHZDGSA-N 355.486 2.244 30 50 FEEA CCOc1ccc([C@@H]2CC(=O)NC3=C2C(=O)[C@H](C(=O)OC)[C@H](C)C3)cc1 6819955 CVMLNRLIEXHGDU-HYSWKAIVSA-N 357.406 2.341 30 50 FEEA CC(C)(C)OC(=O)N1CC(Cn2cc(B3OC(C)(C)C(C)(C)O3)cn2)C1 201313053 DOHIZYSNAUZWCR-UHFFFAOYSA-N 363.267 2.049 30 50 FEEA N#Cc1ccc(N2CCN(C(=O)c3ccc(-c4cc[nH]n4)cc3)CC2)nc1 91915066 HAYWJOYYLZUNJW-UHFFFAOYSA-N 358.405 2.306 30 50 FEEA O=C(O)C/N=C(\NS(=O)(=O)c1ccc(Cl)cc1)c1ccc(F)cc1 2235782 WDFYTWKFORQRRZ-UHFFFAOYSA-N 370.789 2.289 30 50 FEEA C=CCCC(=O)NC[C@H]1[C@H]2CN(c3cnc(C)c(C)n3)C[C@]23CC[C@H]1O3 1857726173 HXGVTKMVRSLAQZ-TVKQPGBESA-N 356.470 2.160 30 50 FEEA C#CCCC1(CCC(=O)N[C@]2(C(=O)OC)CCc3c(OC)cccc32)N=N1 2325894008 JJIBAJBECCBRSW-HXUWFJFHSA-N 369.421 2.482 30 50 FEEA Cc1noc(C)c1CO[C@@H]1COCC[C@H]1NC(=O)c1ccccc1C#N 218978092 XBGVNWNRSUVTKI-QZTJIDSGSA-N 355.394 2.267 30 50 FEEA CC(C)n1cc(C(=O)N2CC(=O)N(c3ccc(C#N)cc3)C[C@H]2C)cn1 82108906 CHCSJIUUMBMTKM-CQSZACIVSA-N 351.410 2.213 30 50 FEEA C=CCN1C[C@@H](C)N(C(=O)Nc2ccc(OC)c(C(=O)NC)c2)C[C@H]1C 426697300 HNMRSTANRMYWQV-ZIAGYGMSSA-N 360.458 2.167 30 50 FEEA C=CCN1C(=O)/C(=C/c2c(NC)nc3ccccn3c2=O)SC1=S 13774175 LHDFEZCOCQMTRO-LUAWRHEFSA-N 358.448 2.123 30 50 FEEA CC(=O)Nc1cccc(/C(C)=N/O[C@@H]2CCCN(c3cnn(C)c3)C2=O)c1 170642607 CSFSAVHIHYQXSN-MNOULKQQSA-N 369.425 2.315 30 50 FEEA C#CCCC1(CCC(=O)N[C@@](C)(CO)c2cccc(C(=O)OC)c2)N=N1 2325894667 HAOYCIDUWKRMRQ-SFHVURJKSA-N 357.410 2.153 30 50 FEEA N#Cc1cnn(C(=O)[C@@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)c1N 155957631 PSRVKNGTWBOODO-SNVBAGLBSA-N 364.192 2.337 30 50 FEEA COc1nccc(N2CCN(Cc3cccs3)[C@H](CCO)C2)c1C#N 72481638 DCUKTXBPJOALTG-CQSZACIVSA-N 358.467 2.097 30 50 FEEA N#Cc1ccc(O[C@@H]2CCN(C(=O)c3coc4c3C(=O)CCC4)C2)nc1 295404847 SXDPHGUEUNMPQJ-CYBMUJFWSA-N 351.362 2.359 30 50 FEEA COc1ccc(C=Nc2nnc[nH]2)cc1Cn1nc(C)c([N+](=O)[O-])c1C 252680194 XJZBMKAQKMNKQY-UHFFFAOYSA-N 355.358 2.334 30 50 FEEA C[C@@H]1O[C@H](C)[C@H](C(=O)N[C@@H]2C[C@@H](N=c3ccc(C#N)c[nH]3)C2(C)C)[C@@H]1C 1875405313 COGIHWODIIYVNW-MYJOMNISSA-N 356.470 2.130 30 50 FEEA CC[C@@H]1C[C@H]1C(=O)NC[C@H]1CC2(CO1)CN(c1ncc(C#N)cc1C)C2 1875407923 KHMQYXQBFAWTAD-BRWVUGGUSA-N 354.454 2.019 30 50 FEEA CC/N=C1/S[C@@H](CC(=O)Nc2ccc(OC(C)=O)cc2)C(=O)N1CC 16809803 PKJKKQSDUCNDNO-YWMAMYRUSA-N 363.439 2.280 30 50 FEEA C[C@@H]1C[C@H]2CN(C(=O)C(C)(C)CCC#N)C[C@H]2N1C(=O)[C@H]1CCCOC1 2325866143 BKQSSOOOVAPIBX-LTIDMASMSA-N 361.486 2.191 30 50 FEEA Cc1cc(C#N)ccc1S(=O)(=O)N1C[C@H](c2ccsc2)[C@@H](CO)C1 249456240 NPUZSJNDCSWTIV-HZPDHXFCSA-N 362.476 2.325 30 50 FEEA COCc1cn(C[C@H]2CCCN(C(=O)Nc3cccc(C#N)c3)C2)nn1 23310614 NFYMTCXJFIRYLX-HNNXBMFYSA-N 354.414 2.240 30 50 FEEA N/C(=N\OC(=O)c1cccc(I)c1)c1cccnc1 5113025 VQKWCROVRVWBJB-UHFFFAOYSA-N 367.146 2.164 30 50 FEEA C#CCCC1(CCC(=O)NCCn2c(=O)c(C)nc3ccccc32)N=N1 1875381731 FWHGAWSEDPRSRF-UHFFFAOYSA-N 351.410 2.177 30 50 FEEA C=C(C)CN(C)Cc1cnc(S(=O)(=O)CC2CC2)n1C[C@@H]1CCCO1 55252646 OUOLPXNTTNUXOE-KRWDZBQOSA-N 367.515 2.254 30 50 FEEA C=CCSc1nc2c(c(=O)[nH]1)[C@H](c1ccccc1[N+](=O)[O-])CC(=O)N2 111968859 MDDUUYOKOJMPET-JTQLQIEISA-N 358.379 2.430 30 50 FEEA N#Cc1ccc(O[C@H]2COCC[C@@H]2NC(=O)CCN2CCCCC2)cc1 1565514488 FSFFBIUSMCTNIA-OALUTQOASA-N 357.454 2.087 30 50 FEEA C[C@H](CN=c1nc(C#N)[nH]cc1Cl)N1CCN(c2ccccc2)CC1 2325868109 PCANLOXSVGWIMQ-CQSZACIVSA-N 356.861 2.046 30 50 FEEA C#CCCC1(CCNC(=O)c2c(C)nn(C)c2OC[C@@H]2CCCCO2)N=N1 2325891224 YZUIDACYMHEGOD-HNNXBMFYSA-N 373.457 2.372 30 50 FEEA C#CCCC1(CCC(=O)N(C)CC(=O)Nc2ccccc2C(=O)OC)N=N1 2325894790 PZEJAFQOWUQCPK-UHFFFAOYSA-N 370.409 2.226 30 50 FEEA N#CC1(c2ccccc2)CCN(c2nccc(N3CCC[C@H](O)C3)n2)CC1 65525865 VREKGUNKSHXCMC-SFHVURJKSA-N 363.465 2.499 30 50 FEEA C=CCn1ncc2c(O)nc(=NCc3cc(C)nc(N4CCCC4)c3)[nH]c21 1875273659 YHVIOGXTHYESTO-UHFFFAOYSA-N 365.441 2.056 30 50 FEEA N#Cc1c[nH]c2c(F)ccc(F)c2c1=N[C@@H]1C[C@H](Cn2ccnc2)C[C@H]1O 1875398346 MDTPOCLFNGXZPI-IUIKQTSFSA-N 369.375 2.255 30 50 FEEA CN(C)Cc1cc(O[C@@H]2CCN(C(=O)c3cccc(C#N)c3)C2)ccn1 886094587 AGMGAMLMQGZCLW-LJQANCHMSA-N 350.422 2.308 30 50 FEEA C#CCCC1(CCNC(=O)c2cccc(NC(=O)[C@@H]3CCCO3)c2)N=N1 2325887522 ZOKAWVLRNFXLHX-INIZCTEOSA-N 354.410 2.500 30 50 FEEA C=CCNC(=O)[C@H]1CCCN(S(=O)(=O)c2cc(Cl)ccc2OC)C1 6702842 ZZMWEVOAVDWYML-LBPRGKRZSA-N 372.874 2.052 30 50 FEEA O=C1Oc2ccccc2C(=O)/C1=C\NCCc1nc(-c2ccco2)no1 828327210 JZYVWANPZFAOBU-ZRDIBKRKSA-N 351.318 2.148 30 50 FEEA C#C[C@@H](Cc1ccccc1)NC(=O)CN1CCN(C)c2cc(F)ccc21 2325863578 OQQUAWPHRABJHX-SFHVURJKSA-N 351.425 2.443 30 50 FEEA C=CCN(CC=C)Cc1cccc(OC[C@@H](O)CN2CCN(CC)CC2)c1 20781977 WBIANEFNEFUAPP-NRFANRHFSA-N 373.541 2.238 30 50 FEEA C[C@@H]1CCc2c(sc(NC(=O)CN3CCN4CCC[C@@H]4C3)c2C#N)C1 23095829 BQXPOWKWSSMFGL-ZIAGYGMSSA-N 358.511 2.463 30 50 FEEA CN(CC(=O)N[C@H]1CCOC[C@@H]1Oc1ccc(C#N)cc1)C1CCCC1 1565509072 NMPUJEFDXYABGS-OALUTQOASA-N 357.454 2.085 30 50 FEEA Cc1coc(C(=O)N2CCC[C@H]3CN(c4cncc(C#N)n4)CC[C@@H]32)c1 1875407703 GEQPCSBVPRQFQM-HOCLYGCPSA-N 351.410 2.381 30 50 FEEA C#CCCC1(CCC(=O)N2CCN(C(=O)c3cscn3)[C@@H](C)C2)N=N1 2325886626 CVNNBWINAOKUTQ-ZDUSSCGKSA-N 359.455 2.172 30 50 FEEA Cc1ccc(O[C@@H]2CCN(S(=O)(=O)Cc3cccc(C#N)c3)C2)cn1 328626458 LSFPVPZSLCNMJH-GOSISDBHSA-N 357.435 2.245 30 50 FEEA C[C@H](/N=C(/O)N(C)C[C@@H]1CCCN(C)[C@H]1c1cnn(C)c1)[C@@H]1CCCO1 328634222 TUMLYAWSTUZPLG-UOVPBQLFSA-N 363.506 2.216 30 50 FEEA CN(C)[C@@H](C(=O)N1CCN(c2ccc(C#N)cn2)CC1)c1ccccc1F 95372416 OVHDVVPGIWRVMM-LJQANCHMSA-N 367.428 2.044 30 50 FEEA CCOc1cc(/C=N/N2C(=O)[C@H]3[C@H]4C=C[C@@H]([C@H]5C[C@H]54)[C@H]3C2=O)ccc1O 252428756 YTDUBYPQQWZWGR-AADSSDBPSA-N 352.390 2.178 30 50 FEEA COc1cc(CNC(=O)c2c3c(nn2C)[C@H](C)O[C@H](C)C3)ccc1C#N 1875314747 PZBXZYPXLZFQDU-NEPJUHHUSA-N 354.410 2.253 30 50 FEEA Cc1ccc(CNC(=O)c2c(O)c3ccccc3n(CCC#N)c2=O)o1 170624771 GIJKEBHKOMKXFE-UHFFFAOYSA-N 351.362 2.452 30 50 FEEA Cc1cccc(N2C[C@H](NC(=O)c3ccc(C#CC(C)(C)O)o3)CC2=O)c1 223313670 CQHOYEFUKMTRNF-OAHLLOKOSA-N 366.417 2.246 30 50 FEEA Cc1cc(C)c(C#N)c(N2CCC3(CCC(=O)N(C[C@H](C)O)C3)CC2)n1 92019379 VJQZOZNVXMMFBV-INIZCTEOSA-N 356.470 2.160 30 50 FEEA CCCCCCCSc1nc2c(c(=O)[nH]c(=O)n2C)n1CCOC 96021575 LAMPXMVVGPGAEH-UHFFFAOYSA-N 354.476 2.132 30 50 FEEA C#CCCC1(CCC(=O)N2CCCN(C(=O)c3ccccn3)CC2)N=N1 2325892117 AAHBUUQJQUWCFB-UHFFFAOYSA-N 353.426 2.112 30 50 FEEA COc1ccc(/C=N/N2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C23CC3)cc1OC 105209306 SDANLBNXRDVLKC-LPBWMFHDSA-N 352.390 2.235 30 50 FEEA N#CC1CCN(S(=O)(=O)c2ccc(C(=O)O)c(Br)c2)CC1 414355817 AUNLPNLREAVIKZ-UHFFFAOYSA-N 373.228 2.072 30 50 FEEA C=CCc1cc(CN2CCN(c3ncc(C)c(N)n3)CC2)ccc1OC 65375098 AQQGOSGDFQTIKZ-UHFFFAOYSA-N 353.470 2.427 30 50 FEEA COC[C@H](/N=C(/O)N1CCN(CC(C)(C)O)C[C@@H]1C)c1ccc(F)cc1 331223544 LTALWSYGJUFZTA-YOEHRIQHSA-N 367.465 2.204 30 50 FEEA COc1cccc([C@H](O)C(=O)N2CCC(C#N)(c3ccccn3)CC2)c1 367091010 FXSGKDVXEQYPSX-SFHVURJKSA-N 351.406 2.208 30 50 FEEA COCc1cn(C[C@@H]2CCCN(C(=O)Nc3cccc(C#N)c3)C2)nn1 23310610 NFYMTCXJFIRYLX-OAHLLOKOSA-N 354.414 2.240 30 50 FEEA Cc1c(C#N)cccc1C(=O)N1CC[C@H](c2cc(O)nc(N(C)C)n2)C1 888095099 PEWOTXJIIWCNOM-AWEZNQCLSA-N 351.410 2.058 30 50 FEEA C#CCCC1(CCNC(=O)c2cc(C(=O)OC)nn2-c2ccccc2)N=N1 2325891147 TYEVCAZYWAJWRH-UHFFFAOYSA-N 365.393 2.354 30 50 FEEA C=CCNC(=O)[C@@H]1CCCN(S(=O)(=O)c2cc(Cl)ccc2OC)C1 6702843 ZZMWEVOAVDWYML-GFCCVEGCSA-N 372.874 2.052 30 50 FEEA CCn1c(CN(C)C)nnc1C1CCN(c2nc(C)ccc2C#N)CC1 77407056 DICHUTUZNWXNHW-UHFFFAOYSA-N 353.474 2.319 30 50 FEEA CCC#CCN1C[C@@H](NC(=O)c2cc(C(C)C)oc2C)C[C@H]1C(=O)NCC 96131816 LXKQEHVYEPKIOW-WMZOPIPTSA-N 373.497 2.434 30 50 FEEA C=CCN1C[C@H](C(=O)NCCc2c(C)[nH]c3c(F)cc(F)cc23)CC1=O 820474733 BFVSYWRFJKPQDQ-GFCCVEGCSA-N 361.392 2.448 30 50 FEEA CC1(C)OB(c2ccc(N3C(=O)[C@H]4[C@H]5C=C[C@H](C5)[C@H]4C3=O)cc2)OC1(C)C 169979861 RMWHXARBVKENMV-AZQPONJRSA-N 365.238 2.297 30 50 FEEA Cc1ccc(N=C(O)N2CCO[C@H](c3ccnc(N4CCCC4)n3)C2)cn1 328627591 MYNVHVDOOICJIE-KRWDZBQOSA-N 368.441 2.399 30 50 FEEA N#C[C@@H]1CN(S(=O)(=O)c2cccc(C(=O)O)c2)C[C@H]1c1ccccc1 366492273 VFQAECHKQLIUPY-WBVHZDCISA-N 356.403 2.313 30 50 FEEA C#CCNS(=O)(=O)c1cccc(C(=O)N2CC(C)(c3ccccc3)C2)c1 857354958 QVRRMVUZVULUEJ-UHFFFAOYSA-N 368.458 2.012 30 50 FEEA O=C(C[C@H]1S/C(=N/N=C/c2cccnc2)NC1=O)Nc1ccccc1 4756140 ZFKXGXYATMMFQR-HIPSJFSSSA-N 353.407 2.032 30 50 FEEA COc1ccc(C=NN2CCN(c3ccccn3)CC2)c(OC)c1OC 244708294 KRCPBMPOEZLYRW-UHFFFAOYSA-N 356.426 2.264 30 50 FEEA CCOc1cc(/C=N/N2C(=O)[C@H]3[C@H]4C=C[C@H]([C@H]3C2=O)[C@@H]2C[C@@H]42)ccc1O 252428759 YTDUBYPQQWZWGR-VVGPCITPSA-N 352.390 2.178 30 50 FEEA Cc1ccc(OCC(=O)O/N=C(\N)c2ccncc2)c(Br)c1 5092954 RFJHVTHMGODVBO-UHFFFAOYSA-N 364.199 2.395 30 50 FEEA Cc1ccc(C#N)c(N2C[C@@H]3[C@H](CNC(=O)CC(C)C)[C@H]4CC[C@]3(C2)O4)n1 1857737195 ARCPOZNLAOKQOF-XKGFGPFHSA-N 368.481 2.408 30 50 FEEA C=CCOC[C@H](NC(=O)Cc1csc(-c2ccsc2)n1)C(=O)O 1875265792 GADKSTYEAOVIAW-LBPRGKRZSA-N 352.437 2.186 30 50 FEEA CCn1c(Cn2cccn2)nnc1C1CCN(c2cccc(C#N)n2)CC1 91434648 BMMSGAFRUWXAGQ-UHFFFAOYSA-N 362.441 2.193 30 50 FEEA N#C[C@H](OC(=O)C1=NN(c2ccccc2)[C@H](C(N)=O)C1)C1CCCCC1 170592021 XIRGMQHLSSWHRD-IRXDYDNUSA-N 354.410 2.122 30 50 FEEA O=C(N=C1C=CC(=C(O)Nc2ccccc2)C=C1)N[C@@H]1CCS(=O)(=O)C1 334158186 WSRFVDZIKJUTLL-MRXNPFEDSA-N 373.434 2.332 30 50 FEEA C[C@H](c1ccsc1)N1CCN(S(=O)(=O)c2ccc(C#N)nc2)CC1 183840299 KMXSOHAQNRTPQP-CYBMUJFWSA-N 362.480 2.082 30 50 FEEA N#Cc1ccccc1CS(=O)(=O)NC(=O)C[C@H]1OCCc2ccccc21 170628832 JMNCRFPWBBRLQK-GOSISDBHSA-N 370.430 2.208 30 50 FEEA C=C[C@H](CC(=O)N1CC[C@@H](N(C)Cc2nccc(N)n2)C1)c1ccccc1 276647966 YANBNHMVBNKZOK-SJLPKXTDSA-N 365.481 2.451 30 50 FEEA CC(C)(O)C#Cc1ccc(CN[C@H]2CCCN(c3ncccn3)C2)cc1 12050371 YZLOJLADFIVPLA-IBGZPJMESA-N 350.466 2.358 30 50 FEEA C[C@]1(CNc2cnc(C#N)cn2)CCN(C(=O)c2conc2C2CC2)C1 2325841341 PHWDXGOLEZQCHU-GOSISDBHSA-N 352.398 2.178 30 50 FEEA N#Cc1cc(-c2cccc(C(=O)NC[C@@]3(O)CCCNC3)c2)ccc1F 426474396 STDCIHLRMJQMDL-HXUWFJFHSA-N 353.397 2.209 30 50 FEEA C=CCc1cc(CN2C[C@H](O)C[C@H]2C(=O)OC)cc(OC)c1OC(C)C 55244885 WDXNOERSYDZXSA-SJORKVTESA-N 363.454 2.319 30 50 FEEA C=CCc1cc(CN2CCNC(=O)[C@H]2CC(=O)OC)ccc1OC(C)C 63872169 SIFFQPQHRTUSFB-QGZVFWFLSA-N 360.454 2.066 30 50 FEEA CN(C[C@@H]1CCc2nc(C(F)(F)F)cn2C1)/C(O)=N/C[C@H]1CCCO1 328621195 HNVAMJXOCCCKED-NWDGAFQWSA-N 360.380 2.489 30 50 FEEA Cc1nn(C)c(C)c1[C@H]1[C@H](NC/C(O)=N/C2CCCCC2)CC(=O)N1C 328617836 DCMLMFPYKFZMQI-DNVCBOLYSA-N 361.490 2.188 30 50 FEEA N#Cc1cccc(NCc2cc3n(n2)CCCN(C(=O)C2CCC2)C3)n1 82160313 NQLVWVDQRJUGHV-UHFFFAOYSA-N 350.426 2.294 30 50 FEEA CN(C)c1ccc([C@H]2CCCN2C(=O)c2ccccc2OCC#N)nn1 818340603 STPCURJODZTWGH-MRXNPFEDSA-N 351.410 2.422 30 50 FEEA CCN(Cc1noc(C)n1)[C@@H]1CCCN(C(=O)c2cc(C#N)c[nH]2)CC1 328624539 CMFNBZVRAMHGPA-OAHLLOKOSA-N 356.430 2.095 30 50 FEEA C#CCCC1(CCC(=O)N[C@H](Cc2ccc(Cl)nc2)C(=O)OC)N=N1 2325892750 AIDDJDWWYKKBNE-CYBMUJFWSA-N 362.817 2.291 30 50 FEEA CC1(C)OB(c2cc(OCCN3CCCC3)c(C#N)cc2F)OC1(C)C 170008726 KOJNFPSSNQIZNB-UHFFFAOYSA-N 360.238 2.471 30 50 FEEA COc1cccc(/C=N/N2C(=O)[C@@H]3[C@H]4C=C[C@@H]([C@@H]5C[C@H]45)[C@H]3C2=O)c1OC 245227048 XMHDEEIHFNLZDA-SNBQHUAESA-N 352.390 2.091 30 50 FEEA COc1ccc(/C(N)=N/OC(=O)c2ccc([N+](=O)[O-])c(C)c2)cc1OC 18106625 FICIWYJJZRLBFK-UHFFFAOYSA-N 359.338 2.398 30 50 FEEA C#CCCC1(CCNC(=O)C2=NN(Cc3ccc(F)cc3)C(=O)CC2)N=N1 2325891112 RDSKOVFERQFRFP-UHFFFAOYSA-N 369.400 2.386 30 50 FEEA Cc1nc(CN(C)[C@H]2CCCN(/C(O)=N/CCn3cccc3)CC2)no1 328625163 CVEFRNZPGLJOCL-INIZCTEOSA-N 360.462 2.080 30 50 FEEA CC(C)(O)C#Cc1ccc(C(=O)N2CCN(Cc3ccccn3)CC2)cc1 216113475 IYEAZYMIZRRBHK-UHFFFAOYSA-N 363.461 2.162 30 50 FEEA O=C1[C@H]2[C@H]3C=C[C@@H]([C@H]4C[C@H]43)[C@H]2C(=O)N1/N=C/c1ccc(Br)o1 253390213 KWYWMVFAEKHVOI-CDQRFFPISA-N 361.195 2.429 30 50 FEEA CN1CCN(C[C@@H](C#N)[C@@H](O)c2cc(-c3ccccc3Cl)on2)CC1 96316076 SPNKJTWDXPBXOO-FZKQIMNGSA-N 360.845 2.416 30 50 FEEA CC(C)n1cc(C(=O)N[C@H]2CCOC[C@@H]2Oc2ccc(C#N)cc2)cn1 1565506881 NRPAGPPFHYTBEZ-ROUUACIJSA-N 354.410 2.302 30 50 FEEA C=CCn1nc(C(=O)N2CCSCC2)c2c1CC[C@H](N(CC)CC)C2 14733315 KFUAXWHBFLYVNM-HNNXBMFYSA-N 362.543 2.457 30 50 FEEA CC(C)n1cnc(C(=O)N2CC[C@H](C)[C@H](CNc3cncc(C#N)n3)C2)c1 1875333862 OBQPUEALAHMXTB-LSDHHAIUSA-N 367.457 2.336 30 50 FEEA N#Cc1cccnc1N1CCN(Cc2ccc(F)c(F)c2)[C@H](CCO)C1 72425601 PIPRUDHMCHWANO-MRXNPFEDSA-N 358.392 2.305 30 50 FEEA N#Cc1cccc(S(=O)(=O)NC(=O)C[C@H]2OCCc3ccsc32)c1 170621158 HVFPKANQTAGBDM-CQSZACIVSA-N 362.432 2.129 30 50 FEEA C/C(=N/Nc1nc2c(c(=O)[nH]c(=O)n2C)n1CCC(C)C)c1ccccc1 5295069 TVLQCKCURXWGGB-XKZIYDEJSA-N 368.441 2.306 30 50 FEEA C=CCN1C(=O)[C@](O)(CC(=O)c2ccc3c(c2)OCCO3)c2ccccc21 1120828 ICLIZICBOGSMJW-NRFANRHFSA-N 365.385 2.451 30 50 FEEA Cc1cccc(CN2CCN(c3nc(C)ccc3C#N)C[C@H]2CCO)n1 107002602 UNUBIHHNYKJPFT-LJQANCHMSA-N 351.454 2.038 30 50 FEEA C=CCn1c(-c2cccs2)cn2cc(C(=O)NCC(F)F)nc2c1=O 72408333 TWISFFSWAMYGKZ-UHFFFAOYSA-N 364.377 2.405 30 50 FEEA Cc1ccc(C#N)c(N2CCC[C@H](c3nnc(CN4CCCC4)n3C)C2)n1 72476407 VJEMKEBDHXMBIW-KRWDZBQOSA-N 365.485 2.370 30 50 FEEA OCC#Cc1csc(CN2CCN(c3ncnc4ccccc34)CC2)c1 828644538 AUVCUUGMBGZDTG-UHFFFAOYSA-N 364.474 2.357 30 50 FEEA COc1cc(Cl)cc([C@@H]2NC(=O)NC(C)=C2C(C)=O)c1OCC(=O)O 5027744 HVNPHYHZISOELB-AWEZNQCLSA-N 368.773 2.029 30 50 FEEA C#CC[C@@H](NC(=O)NCCc1ccc(N2CCN(C)CC2)cc1)C1CC1 2325807947 MAOGKEYDAYGNQC-HXUWFJFHSA-N 354.498 2.082 30 50 FEEA Cc1nn(C)c(C)c1[C@H]1[C@H](CNCc2cc(C#N)cs2)CC(=O)N1C 328645450 ZQTBARBYZZRGPF-KBXCAEBGSA-N 357.483 2.279 30 50 FEEA COc1ccccc1N1CCN(C(=O)c2cc(C#N)c(O)nc2C)[C@H](C)C1 72409200 WLJFOTLBUJILDZ-CYBMUJFWSA-N 366.421 2.327 30 50 FEEA COC(=O)c1cc(C#N)c(N2CCC[C@H](CCC(=O)N(C)C)C2)nc1C 77553859 BPMIDAAHZMSZLE-CQSZACIVSA-N 358.442 2.133 30 50 FEEA N#Cc1ccc(C(=O)N2CCC[C@]3(CCc4c[nH]c(=N)nc43)C2)c(F)c1 2356143469 IXPKIJREYQJBME-IBGZPJMESA-N 351.385 2.020 30 50 FEEA N#Cc1ccc(CN2CC[C@H](NC(=O)c3ccc(F)c(C#N)c3)C2=O)cc1 376060537 YANAQPIYWVDDDP-SFHVURJKSA-N 362.364 2.100 30 50 FEEA O=C(N=C1C=CC(=C(O)Nc2ccccc2)C=C1)N[C@H]1CCS(=O)(=O)C1 334158185 WSRFVDZIKJUTLL-INIZCTEOSA-N 373.434 2.332 30 50 FEEA C=CCN1C[C@@H](C(=O)N2CCC(CO)(CCc3ccccc3)CC2)CC1=O 19761552 NOSLAXWNIICXAI-IBGZPJMESA-N 370.493 2.255 30 50 FEEA Cc1ccc(N=C(O)N2CCO[C@@H](c3ccnc(N4CCCC4)n3)C2)cn1 328627592 MYNVHVDOOICJIE-QGZVFWFLSA-N 368.441 2.399 30 50 FEEA O=C1C=CC(=NOC(=O)c2ccc(I)cc2)C=C1 4755045 CUBSGDRLXSSIQS-UHFFFAOYSA-N 353.115 2.499 30 50 FEEA CC(C)CCC(=O)NC[C@H]1[C@H]2CN(c3ccc(C#N)cn3)C[C@]23CC[C@H]1O3 1857726302 LASDVNBAYZFBTI-XKGFGPFHSA-N 368.481 2.489 30 50 FEEA C=CC(=O)N1CCC[C@@H](C(=O)NC2CCN(c3ccccc3C#N)CC2)C1 1875370757 BZDFBUJAWMLURT-QGZVFWFLSA-N 366.465 2.068 30 50 FEEA COc1ccc(CN2CCN(Cc3cc(C#N)n(C)c3C)CC2=O)cc1 72408679 OWKVMOZSDFRVCE-UHFFFAOYSA-N 352.438 2.058 30 50 FEEA N#Cc1cccc(-c2nc(C3CC3)nn2-c2ccc(S(N)(=O)=O)cc2)c1 95530356 HXBRMDVWSVMBDV-UHFFFAOYSA-N 365.418 2.331 30 50 FEEA COc1cccc(/C=N/N2C(=O)[C@H]3[C@H]4C=C[C@H]([C@H]3C2=O)[C@@H]2C[C@@H]42)c1OC 245227047 XMHDEEIHFNLZDA-RCIAYDGLSA-N 352.390 2.091 30 50 FEEA Cc1ncsc1CN1C[C@@H](F)C[C@H]1CN(C)C(=O)c1c[nH]c(C#N)c1 275532002 QSDLHWSESUIEMP-ZFWWWQNUSA-N 361.446 2.336 30 50 FEEA COc1ccc([C@H]2CN(Cc3cc(C#N)n(C)c3C)C[C@@H]2NC(C)=O)cc1 248099101 DJBQCCWGYQTFEV-RTWAWAEBSA-N 366.465 2.318 30 50 FEEA C#CCCC1(CCC(=O)NC[C@H]2CC(=O)N(C)[C@@H]2c2cccnc2)N=N1 952881639 QPEDHUUTSXJJNJ-CRAIPNDOSA-N 353.426 2.073 30 50 FEEA COCC(=O)N1C[C@@H](CN=c2[nH]c3ccccc3c(C)c2C#N)C[C@@H]1C 1875337198 QCOMHRSMMHLPRP-DZGCQCFKSA-N 352.438 2.132 30 50 FEEA N#Cc1c(N)nc2c(c1-c1cnc(NCC(=O)O)nc1)COc1ccccc1-2 71767755 LUFGHBNUMRJDBE-UHFFFAOYSA-N 374.360 2.048 30 50 FEEA Cc1[nH]c(CN2CCn3nc(CNC(=O)C4CCCC4)cc3C2)cc1C#N 426395482 ZLNCHDPKSZDMHQ-UHFFFAOYSA-N 366.469 2.214 30 50 FEEA Cn1cc(C#N)cc1C(=O)N1CC[C@]2(CCCN(CC3CCC3)C2=O)C1 91548423 SUMBJGHPUHSCNE-HXUWFJFHSA-N 354.454 2.152 30 50 FEEA Cc1cc(C(=O)N2CCCNC(=O)[C@@H]2C)c(C)n1-c1ccc(C#N)cc1 188085297 PAPZQYKIDPQIKP-HNNXBMFYSA-N 350.422 2.316 30 50 FEEA C=CCN(Cc1ccsc1)C(=O)c1cc(C)nc2c1c(O)nc(=O)n2C 1506406800 GVLLOIWQSSOAAH-UHFFFAOYSA-N 370.434 2.232 30 50 FEEA CC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=N/Nc1cccc(C(=O)O)c1 100149822 HEFUMRRQUHXWFE-XDJHFCHBSA-N 367.321 2.484 30 50 FEEA CN1C(=O)[C@@](O)(CC(=O)/C=C\c2ccc3c(c2)OCO3)c2ccccc21 13124856 HOALSGLTTQFRPG-LQOHYYORSA-N 351.358 2.252 30 50 FEEA O/C(=N/Cc1cccc(-c2ccccn2)c1)N1CCN2CCOC[C@@H]2C1 329792710 VFGFLEQSOIAKOW-SFHVURJKSA-N 352.438 2.179 30 50 FEEA N#Cc1ccc(C(=O)N2CC[C@@H](NC(=O)c3cc4cnccc4[nH]3)C2)cc1 1875354385 GDQGFGBVFCFIBE-MRXNPFEDSA-N 359.389 2.079 30 50 FEEA C#CCCC1(CCC(=O)NCc2cccc(OCC(=O)NC3CC3)c2)N=N1 2325892425 MZZAFBRNKWRYGR-UHFFFAOYSA-N 368.437 2.316 30 50 FEEA N/C(=N\OC(=O)c1ccc(Br)o1)c1ccc([N+](=O)[O-])cc1 4913298 KDMLMOVSPBCPCW-UHFFFAOYSA-N 354.116 2.428 30 50 FEEA C#CCN(CC=C)Cc1ccc(OC)cc1OC[C@@H](O)CN1CCCC1 55198822 LZHTZQRAJKPIRQ-IBGZPJMESA-N 358.482 2.152 30 50 FEEA CC(C)n1cc([C@]2(O)CCN(CCCOc3cccc(C#N)c3)C2)nn1 375343624 XJXXFBPKVZHLHY-IBGZPJMESA-N 355.442 2.093 30 50 FEEA N=C1S[C@@H]2CS(=O)(=O)C[C@H]2N1/N=C/c1c(Cl)cccc1Cl 136266110 LORUPXIIOJNQSW-DXOZZKGNSA-N 364.279 2.476 30 50 FEEA CCN(C(=O)c1cccc(-c2cccc(C#N)n2)c1)[C@H]1CCS(=O)(=O)C1 426420593 KBORMRDUAXJLIJ-KRWDZBQOSA-N 369.446 2.269 30 50 FEEA N#Cc1ccc(N2CCN(C(=O)[C@H]3CCOc4ccccc4C3)CC2)nc1 97732904 AFTDRDNUVHISGK-SFHVURJKSA-N 362.433 2.243 30 50 FEEA Cn1c(Cn2cccn2)nnc1[C@H]1CCCN(Cc2ccccc2C#N)C1 91871803 CBTVIFAYPDRSBJ-SFHVURJKSA-N 361.453 2.311 30 50 FEEA C=CCOc1ccccc1CN1CC[C@H]2[C@H](CCC(=O)N2CCCN)C1 215012150 FGARWJDFZASHGJ-MJGOQNOKSA-N 357.498 2.413 30 50 FEEA CCOC(=O)CN1C(=O)[C@@](O)(CC(=O)/C=C/c2ccco2)c2ccccc21 990091 ALKBHSNXLUVBQJ-SQUSKLHYSA-N 369.373 2.050 30 50 FEEA C#CCCC1(CCC(=O)NCc2cc(=O)n(-c3ccccc3)n2C)N=N1 2325886992 PSDFEZNHVJOHJV-UHFFFAOYSA-N 351.410 2.148 30 50 FEEA C=CC[C@@]1(CO)CCCN(Cc2ccc(OCC(N)=O)c(Cl)c2)C1 91998054 UAYILQCQUAXTHI-GOSISDBHSA-N 352.862 2.355 30 50 FEEA C=CCN1C[C@H](C(=O)Nc2ccc(C(=O)N3CCCC3)cc2C)CC1=O 952869381 JEVQYVLLPBYFDZ-MRXNPFEDSA-N 355.438 2.204 30 50 FEEA C=CCOc1ccc(Cl)cc1CN1C[C@]2(C(=O)O)C[C@]2(C(=O)O)C1 1704309403 RVXWJYLYNQXSMG-CALCHBBNSA-N 351.786 2.266 30 50 FEEA O/C(=N/CC[C@H]1COc2ccccc2O1)N1CCOC2(CCOCC2)C1 330122873 AKSIODLZXYMCOB-HNNXBMFYSA-N 362.426 2.012 30 50 FEEA Cn1cc([C@@H]2OCCC[C@H]2CNC(=O)c2ncc(C#N)cc2Cl)cn1 886079074 FFMAUTRNKRNPTR-BLLLJJGKSA-N 359.817 2.238 30 50 FEEA COc1ccc(OC)c([C@@H]2C(C(C)=O)=C(O)C(=O)N2C[C@@H]2CCCO2)c1 860923 RQOXTQMRPISMPA-SUMWQHHRSA-N 361.394 2.167 30 50 FEEA C=C(C)C[C@@H]1N(c2cccc(OC)c2)C(=O)[C@@H]2[C@@H](C(=O)O)[C@H]3C=C[C@@]12O3 1130634 NAMJXTOLLRLBNM-ZPFYTHJMSA-N 355.390 2.401 30 50 FEEA C=CCOc1c(CC=C)cc(C=C2C(=O)NC(=S)NC2=O)cc1OCC 2832962 MZVHTCFEVIUWDN-UHFFFAOYSA-N 372.446 2.293 30 50 FEEA N/C(=N\OC(=O)c1ccccc1I)c1cccnc1 4837013 ZYEWIBRBJXFAMV-UHFFFAOYSA-N 367.146 2.164 30 50 FEEA C/C(CCS(=O)(=O)c1cc(Cl)ccc1Cl)=N\NC(N)=S 4964314 IJNIAJPHTQSBGZ-VIZOYTHASA-N 354.284 2.366 30 50 FEEA COCCN1C[C@]2(CCCN(Cc3cc(C#N)n(C)c3C)C2)CCC1=O 77538233 VDSLVPBRJOOANU-HXUWFJFHSA-N 358.486 2.056 30 50 FEEA CCCn1cnnc1CNC1CCN(c2nc(C)cc(C)c2C#N)CC1 95381166 JGXZVPYEVZGXFL-UHFFFAOYSA-N 353.474 2.330 30 50 FEEA C=CCOc1cccc(CN2CC[C@H]3[C@H](CCC(=O)N3CCCO)C2)c1 217008670 ILTOEWRONDQNPO-QUCCMNQESA-N 358.482 2.447 30 50 FEEA C#CCCC1(CCC(=O)N(C)Cc2nnnn2Cc2ccccc2)N=N1 2325900157 NAJLIXGYYWFETJ-UHFFFAOYSA-N 351.414 2.036 30 50 FEEA C#CCCC1(CCNC(=O)C[C@H](c2ccccc2)N2CCNC2=O)N=N1 2325901052 RTIXVRKEXLMENK-MRXNPFEDSA-N 353.426 2.225 30 50 FEEA CC(C)=CC[C@]1(C(=O)O)CCCN(C(=O)c2cc(C#N)c(=O)[nH]c2C)C1 91707985 OGQWYALFKQYKQW-LJQANCHMSA-N 357.410 2.218 30 50 FEEA Cc1noc(C)c1CN1C(=O)[C@H]2CC[C@@H]1CN(c1ccc(C#N)cn1)C2 92078832 LFMLGVULFYOSHA-JKSUJKDBSA-N 351.410 2.186 30 50 FEEA C=CCNC(=O)CN(Cc1ccccc1)S(=O)(=O)c1ccc(OC)cc1 5006607 ZREZQKMAMHMTOP-UHFFFAOYSA-N 374.462 2.188 30 50 FEEA N#Cc1ccc(N2CCC[C@@H]2C(=O)N=[S@]2(=O)CC[C@]3(CCCN3)C2)cc1 1875405391 FPRGTMSOMBMEMO-AZZGJVAJSA-N 372.494 2.048 30 50 FEEA C#CCN1CCCC[C@@H]1C(=O)NC[C@H]1CCN(c2ccc(F)c(F)c2)C1 248168673 QDQJSSPCZBFLIG-DNVCBOLYSA-N 361.436 2.395 30 50 FEEA C#CCCC1(CCC(=O)N[C@@H]2CC(=O)N(CCOc3ccccc3)C2)N=N1 2325892671 WGXBWJCOKMZTIW-MRXNPFEDSA-N 368.437 2.138 30 50 FEEA CCOC(=O)c1cnn(-c2ccc(B3OC(C)(C)C(C)(C)O3)cn2)c1C 170004828 XLWUJTVEDZZKDK-UHFFFAOYSA-N 357.219 2.052 30 50 FEEA CO[C@@H]1C[C@@H](c2nc(C3CC3)n[nH]2)N(CCOc2ccccc2C#N)C1 284887263 RAUOINAPTQMQEU-CVEARBPZSA-N 353.426 2.395 30 50 FEEA COc1nc(N)c(S(=O)(=O)c2cccc(C(F)(F)F)c2)cc1C#N 20366058 NXGDADYPKAUBFL-UHFFFAOYSA-N 357.313 2.396 30 50 FEEA CN1CCN(/C(=N/S(=O)(=O)c2ccc(F)cc2)c2ccccc2)CC1 12560913 OCJOFNJZWHFLIT-CZIZESTLSA-N 361.442 2.209 30 50 FEEA Cc1ccc(N/C(N)=N/[N+](=O)[O-])cc1NC(=O)c1ccc([N+](=O)[O-])cc1 15835802 NHUGOIIKUCBUMP-UHFFFAOYSA-N 358.314 2.074 30 50 FEEA C[C@H]1CCN(S(=O)(=O)Cc2cc(C#N)ccc2F)C[C@@H]1n1ccnc1 164466400 BMBQIGMMMOZUJG-GUYCJALGSA-N 362.430 2.307 30 50 FEEA CC/N=C(/O)N1CCC(N(CCOc2cccc(C)c2)CC(=O)O)CC1 328607741 WWNSDMOKEULCHZ-UHFFFAOYSA-N 363.458 2.159 30 50 FEEA COCCN1C[C@]2(CCCN(c3nc(C)cc(C)c3C#N)C2)CCC1=O 77456320 DALMQXZMAMPOLI-FQEVSTJZSA-N 356.470 2.426 30 50 FEEA C[C@]12C[C@H](O)[C@@]3(F)[C@@H](CCC4=CC(=O)C=C[C@@]43C)[C@H]1CC=C2C(=O)CO 253500013 UAEUTSQWOUBCLN-AGXRBINYSA-N 360.425 2.455 30 50 FEEA biogenic Cn1cc([C@@H]2[C@@H](CNC(=O)C#CC(C)(C)C)CCC(=O)N2C2CC2)cn1 952852873 NEECIHOZLNFAHX-KUHUBIRLSA-N 356.470 2.028 30 50 FEEA CNC(=O)c1ccc([C@@H]2CCCCN2CC(O)=Nc2cc(C)no2)n1C 328622066 AZCRIEFUJFJBPS-AWEZNQCLSA-N 359.430 2.496 30 50 FEEA CCCc1cn(C[C@H]2CCCN(C(=O)C3=CC(=O)CC(C)(C)O3)C2)nn1 48428374 CQMMZUFVYXZVLG-AWEZNQCLSA-N 360.458 2.121 30 50 FEEA CC1(C)CC(=O)C(=CN2CCN(Cc3ccc4c(c3)OCO4)CC2)C(=O)C1 19642654 MKXRUPKXPNJXSL-UHFFFAOYSA-N 370.449 2.375 30 50 FEEA C=CCOc1ccc(C(F)(F)F)cc1C(=O)N1CC(NC(=O)C=C)C1 1875384081 LAUAVJYOGAJSLZ-UHFFFAOYSA-N 354.328 2.397 30 50 FEEA C#CCCC1(CCC(=O)NS(=O)(=O)CCOCc2ccccc2)N=N1 2325900992 POBGJAUFKJOJLD-UHFFFAOYSA-N 363.439 2.005 30 50 FEEA Cc1ccc(OCC(=O)O/N=C(\N)c2ccccn2)c(Br)c1 4671966 FIQSMDGNMPOLPN-UHFFFAOYSA-N 364.199 2.395 30 50 FEEA Cc1ccccc1CN1CC[C@H](Cn2ccc3[nH]c(=O)c(C#N)cc3c2=O)C1 67563024 HGEWPKDZIPKALT-INIZCTEOSA-N 374.444 2.392 30 50 FEEA Cc1oc2ncn(C)c(=O)c2c1/C(O)=N/[C@H]1CCCc2nc(O)ccc21 328865891 BUQIBPCQZIRQOJ-LBPRGKRZSA-N 354.366 2.318 30 50 FEEA CN1C[C@]2(CCN(C(=O)CC3=C(c4ccccc4)CCC3=O)C2)OC1=O 72161481 WNBYUXKKVUFWEH-FQEVSTJZSA-N 354.406 2.246 30 50 FEEA O=C(C1=C(O)C(=O)N(CCO)[C@@H]1c1ccc([N+](=O)[O-])cc1)c1ccccc1 16956714 VMXSAUBUGKWNQB-MRXNPFEDSA-N 368.345 2.165 30 50 FEEA N#Cc1cccc([C@H](O)CNC(=O)c2csc(N3CCCCC3)n2)c1 1875270434 RAMBJDDZMFQKKR-MRXNPFEDSA-N 356.451 2.468 30 50 FEEA Cc1c(NS(=O)(=O)c2ccccc2C#N)c(=O)n(-c2ccccc2)n1C 953494 IBQFSFSNHCJDDL-UHFFFAOYSA-N 368.418 2.157 30 50 FEEA O/C(=N/C1CCN(C[C@@H]2CCOC2)CC1)N1CCC[C@@H](c2ncc[nH]2)C1 329678533 QJYXLBXLRRWLLR-JKSUJKDBSA-N 361.490 2.004 30 50 FEEA Cc1cnccc1CNC(=O)N1CCN(c2cccc(F)c2C#N)CC1 188254138 FAIFTJRQHJANQW-UHFFFAOYSA-N 353.401 2.433 30 50 FEEA C=CCC(C)(C)CN1C[C@@H]2[C@H](CNC(=O)c3cncn3C)[C@H]3CC[C@]2(C1)O3 1875251026 QYALAIXTFYDYCY-LTVCHDBBSA-N 372.513 2.232 30 50 FEEA CCc1ccnc(C/N=C(/O)N2CCN(C)[C@H](c3nc(C4CC4)no3)C2)c1 329185704 ORNJZALZSNBMNJ-INIZCTEOSA-N 370.457 2.307 30 50 FEEA N#CC1(c2ccccc2)CCN(CCC(=O)N2CCC(C(=O)O)CC2)CC1 244899517 ZKZUZRZBVPOUDQ-UHFFFAOYSA-N 369.465 2.257 30 50 FEEA N#Cc1cc2n(n1)CCN(C(=O)N[C@H]1CCCN(Cc3cccs3)C1)C2 584884328 FEENLUXSHHDBAL-AWEZNQCLSA-N 370.482 2.006 30 50 FEEA C[C@@H]1O[C@H](C)Cc2c(C(=O)N3CC(Oc4cccc(C#N)c4)C3)nn(C)c21 1875403943 MFGFEHIZCAVQOE-OLZOCXBDSA-N 366.421 2.217 30 50 FEEA N#Cc1cc(F)ccc1S(=O)(=O)N1C[C@@H](CO)[C@@H](c2ccsc2)C1 249479091 UXLZVIHJSIJAHI-DZGCQCFKSA-N 366.439 2.155 30 50 FEEA C[C@H](C/N=C(/O)N1CC[C@@H](CS(C)(=O)=O)C1)c1ccc(F)cc1F 331163809 RRXZEUFGFMQGTD-VXGBXAGGSA-N 360.426 2.349 30 50 FEEA CN(c1cc(C#N)ccn1)S(=O)(=O)c1ccc2c(c1)CCCC(=O)N2 170609230 YJEJMVYOCLKCIB-UHFFFAOYSA-N 356.407 2.053 30 50 FEEA N#C[C@H]1CN(C(=O)c2ccnc3ccncc23)CCN1Cc1ccccc1 185659858 AIIJEGSZNZQQPD-KRWDZBQOSA-N 357.417 2.480 30 50 FEEA CN(CCn1cc(B2OC(C)(C)C(C)(C)O2)cn1)C(=O)OC(C)(C)C 205147881 MMZGRYUXHBBAOH-UHFFFAOYSA-N 351.256 2.049 30 50 FEEA NC1=C(c2ccccc2)C(=O)CN1NC(=O)c1cccc(Br)c1 4840058 KFCFHNLGAJKFLZ-UHFFFAOYSA-N 372.222 2.306 30 50 FEEA Cc1csc(N2CCN(/C(O)=N/Cc3cn4c(n3)CCCC4)CC2)n1 328837177 MZSALLQPWTUHPE-UHFFFAOYSA-N 360.487 2.221 30 50 FEEA CCn1c(Cn2cccn2)nnc1C1CCN(c2cc(C#N)ccn2)CC1 91691154 SMVATTQBEOEXGN-UHFFFAOYSA-N 362.441 2.193 30 50 FEEA COc1ccc(CNC[C@@H]2CC(=O)N(C)[C@H]2c2cccnc2)cc1C#N 842717672 ZFBOKQAQVPLRKH-PXNSSMCTSA-N 350.422 2.271 30 50 FEEA N#Cc1ccc(N2CCC(C(=O)N[C@@H]3CCOC4(CCC4)C3)CC2)nc1 1875263264 ZQMPWFJXRRJRFX-QGZVFWFLSA-N 354.454 2.388 30 50 FEEA N#CC1CC2(CCN(C(=O)c3ccc(N4CCC[C@H](C(N)=O)C4)cc3)C2)C1 1875310203 IOXVYZKALUDXPW-LBKMDBTOSA-N 366.465 2.154 30 50 FEEA O=C(C[n+]1cccc(C(=O)NCc2ccccc2)c1)NCc1ccccc1 1726061 IVPHSKTWNPFRMP-UHFFFAOYSA-O 360.437 2.221 30 50 FEEA CC(=O)N[C@H]1CC[C@@H](C(F)(F)F)N(C(=O)Cc2ccc(C#N)cc2)C1 330572014 NBMLLQHPSAKNKT-GJZGRUSLSA-N 353.344 2.159 30 50 FEEA C=C(C)[C@H]1OCC[C@@H]1CNC(=O)N1CCN(c2ccccc2C#N)CC1 331861464 KHYQXYIHOFBYTM-IEBWSBKVSA-N 354.454 2.371 30 50 FEEA N#Cc1c(-c2cnc(N3CCOCC3)s2)cc(-c2ccc[nH]2)nc1N 71762193 LWDHTRWSKDFYON-UHFFFAOYSA-N 352.423 2.491 30 50 FEEA Cc1ccc(C#N)c(N2CC[C@]3(CCCN(C4CCOCC4)C3=O)C2)n1 91574470 SZOJBICSIKOKOJ-HXUWFJFHSA-N 354.454 2.260 30 50 FEEA N#Cc1ccc(S(=O)(=O)N[C@@H]2C[C@@H]3OCCC[C@H]32)cc1C(F)(F)F 249955180 VPFAIJHMNKPCFD-YUTCNCBUSA-N 360.357 2.423 30 50 FEEA N#Cc1ccc(OC[C@H](O)CS(=O)(=O)c2ccc(Cl)cc2)cc1 1399243 UVSIWIUHGAEWQS-AWEZNQCLSA-N 351.811 2.425 30 50 FEEA Cc1cc(Br)cn2cc(CNCc3c(C#N)ncn3C)nc12 2325789140 WCWRCMFBPUPHCT-UHFFFAOYSA-N 359.231 2.300 30 50 FEEA COc1cccc(-c2c(C#N)c(N)nc3c2COCC3)c1O[C@H](C)C(=O)O 71762472 RRRVQRDHHYNMKJ-SNVBAGLBSA-N 369.377 2.136 30 50 FEEA Cc1cc(=O)n2c3ccccc3n(C[C@@H](O)CN3CCCCC3)c2c1C#N 2708649 GTCQGPQDRGTCKI-INIZCTEOSA-N 364.449 2.281 30 50 FEEA C=CCn1nnnc1SCC(=O)Nc1ccc(Br)cc1 8020460 IXDFRTXVTHBCDM-UHFFFAOYSA-N 354.233 2.352 30 50 FEEA CC(C)c1nc2n(n1)CCC[C@H]2NS(=O)(=O)Cc1cccc(C#N)c1 157132722 RLJNVXJLYPVWNV-OAHLLOKOSA-N 359.455 2.228 30 50 FEEA Cn1c(N[C@@H]2CC(C)(C)CCc3ccccc32)c(C#N)c(=O)n(C)c1=O 225644832 FIMKNVIKDNAKHJ-MRXNPFEDSA-N 352.438 2.471 30 50 FEEA CC(C)(O)C#Cc1ccc(C(=O)N2CCC(O)(c3ccccn3)CC2)cc1 65493957 HMEMNZZYQPNIDX-UHFFFAOYSA-N 364.445 2.328 30 50 FEEA CCOc1ccccc1CN1CCN(c2ccc(C#N)cn2)C[C@@H]1CCO 72420466 XWIJOVWRVOKBOK-IBGZPJMESA-N 366.465 2.425 30 50 FEEA CC(C)c1csc([C@H](C#N)C(=O)CN2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C2)n1 170649854 XDEBAFAETIDQNL-LZPUHMRESA-N 369.446 2.250 30 50 FEEA COc1cc(C#N)ccc1OCC(=O)N1CCN([C@H]2C[C@H]3CC[C@H]2C3)CC1 246962185 PQTXGIPJMBJEON-SZMVWBNQSA-N 369.465 2.278 30 50 FEEA COc1ncnc(N(C)C)c1N=C(O)N1Cc2ccccc2OC[C@@H]1C 329493111 ZYBCCUKPKDOCEP-LBPRGKRZSA-N 357.414 2.380 30 50 FEEA O=c1ccccn1C/C(O)=N/C[C@H]1CCc2nc(C(F)(F)F)cn2C1 328638880 WRLPHERPVTYZIF-LLVKDONJSA-N 354.332 2.283 30 50 FEEA Cc1ccc(OCC(=O)O/N=C(\N)c2cccnc2)c(Br)c1 4888420 SRQAZOKKOKUZBQ-UHFFFAOYSA-N 364.199 2.395 30 50 FEEA Cc1nc(CN2C[C@@H](F)C[C@H]2C/N=C(/O)Cn2ccccc2=O)cs1 328628808 HOBCUCQZJJQQQB-ZFWWWQNUSA-N 364.446 2.182 30 50 FEEA N/C(=N/OCCCN1CCOCC1)c1cccnc1Oc1ccccc1 170609032 BYBCHGXELVJJMI-UHFFFAOYSA-N 356.426 2.233 30 50 FEEA CO[C@@H]1C[C@@H](c2nc(C)c(C)[nH]2)N(CC(=O)NC2(C#N)CCCCC2)C1 888102843 QIIMFLGOXQMIEU-CVEARBPZSA-N 359.474 2.131 30 50 FEEA O/C(=N/C1Cc2ccccc2C1)Nc1nc(CN2CCOCC2)cs1 329635543 XSSDLTGJOHFQEB-UHFFFAOYSA-N 358.467 2.469 30 50 FEEA N#Cc1cccnc1N1CCC(NC(=O)[C@H]2COc3ccccc3C2)CC1 91326038 CPNZNVGRBOCOEW-QGZVFWFLSA-N 362.433 2.290 30 50 FEEA CS(=O)(=O)NC[C@@H]1CCC[C@@H]1/N=C(/O)c1ncccc1C(F)(F)F 330418794 YFNDQBUZJYUEMG-ONGXEEELSA-N 365.377 2.123 30 50 FEEA CC(C)[C@](C)(C#N)NC(=O)[C@H](C)N1CCN(Cc2cccc(F)c2)CC1 330568373 LVIOFCHSINQVNZ-JXFKEZNVSA-N 360.477 2.386 30 50 FEEA N#Cc1ccccc1OCCN1CCC[C@@H]1c1nc(C(=O)NC2CC2)no1 328656703 ZPADXYIDYURBTR-OAHLLOKOSA-N 367.409 2.049 30 50 FEEA O=C(c1cnn2c1C[C@H](C/N=C(/O)c1cccnc1)CC2)N1CCCCC1 328605267 MYMXCPLJBIRYMU-OAHLLOKOSA-N 367.453 2.471 30 50 FEEA C=CCNC(=O)c1ccccc1NS(=O)(=O)c1ccc(NC(C)=O)cc1 5764258 XYYGQANZYREXHG-UHFFFAOYSA-N 373.434 2.362 30 50 FEEA C#CCCC1(CCC(=O)N[C@H](C(=O)N2CCOCC2)c2ccccc2)N=N1 1875382054 PFWCNLWLPQNMSO-SFHVURJKSA-N 368.437 2.058 30 50 FEEA CC1(CCC(=O)N2C[C@@H]3[C@@H](CCC[C@H]3N=c3ccc(C#N)n[nH]3)C2)CC1 1875408493 XZQSFNVKXOAATM-USXIJHARSA-N 353.470 2.389 30 50 FEEA C=CCN1CC[C@]2(CCC1=O)CN(c1nc(C)cc(C)c1C#N)CCN2C 107410780 CCHXBGAMGSIAGE-OAQYLSRUSA-N 367.497 2.259 30 50 FEEA C=CCN1C(=O)/C(=C\c2cc(C)n(-c3ccncc3)c2C)C(=O)NC1=S 12362844 XQPCBRHKOCZGNW-WJDWOHSUSA-N 366.446 2.302 30 50 FEEA N#Cc1cnc(N2CC[C@@H](c3cc(O)nc(N4CCCC4)n3)C2)c(F)c1 864312367 VYHMSJAGRCTVMP-CYBMUJFWSA-N 354.389 2.182 30 50 FEEA Cn1c(=O)[nH]c(Nc2cccc(-c3nc4ccccc4o3)c2)c(C#N)c1=O 1458684633 RJIVWTVGWBXBFI-UHFFFAOYSA-N 359.345 2.497 30 50 FEEA C[C@@H]1CN(Cc2ccc(C#N)cc2)CCN1C(=O)CNC(=O)OC(C)(C)C 170596483 UWQVBKRZNIICER-OAHLLOKOSA-N 372.469 2.116 30 50 FEEA N#Cc1cc(C(=O)N2CC[C@H](Oc3cccnc3N3CCCC3)C2)c[nH]1 275512773 DGSPNZJYQGPUMJ-INIZCTEOSA-N 351.410 2.175 30 50 FEEA N/C(=N\O)[C@@H]1CN(S(=O)(=O)c2ccc(Cl)cc2)c2ccccc2O1 14808494 KWEUFFZCMQSANZ-AWEZNQCLSA-N 367.814 2.043 30 50 FEEA N#Cc1ccc(C(=O)N2CCC(c3n[nH]c(=O)n3-c3ccccc3)CC2)cc1 169779734 XRYULRHQLAJYMG-UHFFFAOYSA-N 373.416 2.452 30 50 FEEA C#CC[C@H]1NC(=O)N(C[C@@H](O)Cn2c3ccccc3c3ccccc32)C1=O 225437335 WBBZYXQLBJPLFD-WMLDXEAASA-N 361.401 2.099 30 50 FEEA C=CCn1cc(CN2CCC(c3nnc(CN(C)C)n3C3CC3)CC2)cn1 82160973 QMOAFHYQRFPZNO-UHFFFAOYSA-N 369.517 2.437 30 50 FEEA N#Cc1cc(Br)cnc1N[C@@H]1C[C@@H](Cn2cccn2)C[C@H]1O 1875398988 KZNHVVBTEKPBQY-LERXQTSPSA-N 362.231 2.164 30 50 FEEA C#CCCC1(CCNC(=O)CCN2C(=O)[C@H](C)Oc3ccccc32)N=N1 2325891221 YUJCAVCCBZVNAD-AWEZNQCLSA-N 354.410 2.272 30 50 FEEA COC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@H]1c1ccc(O)c([N+](=O)[O-])c1 100435227 ULRZZRMGXUQMJV-INIZCTEOSA-N 358.350 2.441 30 50 FEEA C[C@H]1CCN(S(=O)(=O)Cc2cc(C#N)ccc2F)C[C@H]1n1ccnc1 329074545 BMBQIGMMMOZUJG-SUMWQHHRSA-N 362.430 2.307 30 50 FEEA N#Cc1cccc([C@H](C#CC2(O)CCCC2)N2CCC(C(N)=O)CC2)c1 96162839 YUIFJXZQWDQWOS-IBGZPJMESA-N 351.450 2.105 30 50 FEEA C=CCNC(=O)c1cccc(S(=O)(=O)N[C@@H](CC)c2ccncc2)c1 95504065 YNPCZQZFNPRXMW-KRWDZBQOSA-N 359.451 2.427 30 50 FEEA C=CCC(O)(CC=C)CNS(=O)(=O)c1c(C)cc(C)c2nonc12 670462910 UVPSTRKWWNYAHP-UHFFFAOYSA-N 351.428 2.001 30 50 FEEA C=CCNC(=O)[C@H]1CCCN(S(=O)(=O)Cc2ccc(Cl)cc2)C1 19860664 VOHFCMVNNMMLCY-AWEZNQCLSA-N 356.875 2.184 30 50 FEEA O=S(=O)(N/N=C/c1ccc2c(c1)OCCO2)c1ccc(Cl)cc1 1062849 MYOBEBDVOCXGBI-LICLKQGHSA-N 352.799 2.424 30 50 FEEA N#C[C@H]1CCCN(c2ncnc3c2CCN(C(=O)c2ccco2)CC3)C1 72470483 SREKJFAFNNNVEM-CQSZACIVSA-N 351.410 2.051 30 50 FEEA C#CCCC1(CCC(=O)N[C@@H](c2nc(-c3nc[nH]n3)no2)C(C)(C)C)N=N1 2325886084 KNRFNCCBCZRQEB-LBPRGKRZSA-N 370.417 2.414 30 50 FEEA C=CCNc1ccccc1C(=O)NC[C@@H](c1ccccn1)N1CCOCC1 55414758 LOBHTADLWIPVKE-FQEVSTJZSA-N 366.465 2.483 30 50 FEEA C[C@H](/C(O)=N/[C@@H]1[C@@H]2CCCO[C@H]2C1(C)C)S(=O)(=O)C1CCOCC1 330104022 GRCGFSCBPJKLPS-FAAHXZRKSA-N 359.488 2.129 30 50 FEEA CC(C)(C(=O)NS(=O)(=O)c1cncc(Cl)c1)c1cccc(C#N)c1 119279569 LKCDSBBMOLIHMD-UHFFFAOYSA-N 363.826 2.389 30 50 FEEA Cc1ccc(O[C@@H]2CCN(S(=O)(=O)c3cccc(F)c3C#N)C2)cn1 328630256 PRDUTLFFOXYGHO-CQSZACIVSA-N 361.398 2.243 30 50 FEEA N#Cc1ccc(N2CCC(C(=O)N3C[C@H]4[C@H]5C=C[C@@H](O5)[C@H]4C3)CC2)c(F)c1 333845353 OERGVXNYUGRYMY-WOUAJJJCSA-N 367.424 2.326 30 50 FEEA N#Cc1c(-c2cnc(N3CCOCC3)nc2)cc(C2CCCC2)nc1N 71753819 ZFKALSWSVONWPM-UHFFFAOYSA-N 350.426 2.487 30 50 FEEA CC(C)CS(=O)(=O)CCNC(=O)c1ccc(-c2ncccc2C#N)cc1 426530556 UDJFGRYEQJFELB-UHFFFAOYSA-N 371.462 2.421 30 50 FEEA C[C@H](Oc1ccc(Br)cc1)C(=O)O/N=C(\N)c1ccncc1 5059957 MRBCUNISDLNUKE-JTQLQIEISA-N 364.199 2.475 30 50 FEEA C=CCN(CC(=O)Nc1nc(C(C)(C)C)cs1)[C@@H]1CCS(=O)(=O)C1 65466406 QEOSRKHFEYQKSH-GFCCVEGCSA-N 371.528 2.054 30 50 FEEA Cc1ccccc1CN1CC[C@@H](Cn2ccc3[nH]c(=O)c(C#N)cc3c2=O)C1 67563030 HGEWPKDZIPKALT-MRXNPFEDSA-N 374.444 2.392 30 50 FEEA CCN1CCC[C@@H](CN(C)/C(O)=N/C[C@H]2CCOC2)[C@@H]1c1cnn(C)c1 328633357 SNUZHVLTSIAQIW-SOLBZPMBSA-N 363.506 2.075 30 50 FEEA CCn1nc(C)c(NC(=O)CN2CCN(c3ccccc3C#N)CC2)c1C 244794775 QTHBDLNZLKBZJN-UHFFFAOYSA-N 366.469 2.152 30 50 FEEA COc1cc(CNC(=O)c2nn(C)c3c2C[C@H](C)O[C@@H]3C)ccc1C#N 1875404179 YFTNKAVWXIFZRJ-NWDGAFQWSA-N 354.410 2.253 30 50 FEEA CCc1cnc(C)nc1N1CCN(Cc2cc(C#CCO)cs2)CC1 65394166 KMNWJSHTXJCLKV-UHFFFAOYSA-N 356.495 2.075 30 50 FEEA O=C1/C(=N\Nc2ccc(F)cc2)c2ccccc2N1CN1CCOCC1 4084591 SGNFAGGNBZCINO-PYCFMQQDSA-N 354.385 2.278 30 50 FEEA COc1nccc(N2CCN(Cc3ccc(F)cc3)[C@H](CCO)C2)c1C#N 72470223 NRMAHBXTVZFQEF-QGZVFWFLSA-N 370.428 2.174 30 50 FEEA COCC(=O)N1CCC[C@H](C(=O)N2CCC(c3cccc(C#N)c3)CC2)C1 95389072 RNECPOFYNIIQST-IBGZPJMESA-N 369.465 2.149 30 50 FEEA C[C@@H](Oc1ccc(Br)cc1)C(=O)O/N=C(\N)c1ccncc1 5059958 MRBCUNISDLNUKE-SNVBAGLBSA-N 364.199 2.475 30 50 FEEA CC[C@@H]1CCCCN1CC(=O)N1CCCN(c2ccc(C#N)cn2)CC1 1772810234 DRKNFHRTFCVFET-GOSISDBHSA-N 355.486 2.256 30 50 FEEA O/C(=N/Cc1cscn1)N1CCO[C@@H](c2ccnc(N3CCCC3)n2)C1 328616629 BWSWWFZKBDUOFR-OAHLLOKOSA-N 374.470 2.021 30 50 FEEA N#Cc1ccc(O[C@@H]2CCOC[C@H]2NC(=O)c2cn3ccsc3n2)cc1 219138290 OERRZBYOCRIQGS-HZPDHXFCSA-N 368.418 2.234 30 50 FEEA C[C@H]1CN(C2CCOCC2)CCN1C(=O)C1(c2ccc(C#N)cc2)CC1 365113760 ATLPWEFEJPTESM-INIZCTEOSA-N 353.466 2.302 30 50 FEEA COC[C@@H]1[C@H](NC(=O)CC2=C(c3ccccc3)CCC2=O)[C@H]2CCO[C@@H]12 1565514473 KQBUKNGBJQUFMW-UAMLPYHUSA-N 355.434 2.359 30 50 FEEA COc1cc(OC)cc(C(=O)O/N=C(\N)c2ccc(OC)c(OC)c2)c1 4802586 AKJACSMVZBOXGQ-UHFFFAOYSA-N 360.366 2.198 30 50 FEEA Cn1c(Cn2cccn2)nnc1[C@H]1CCCN(Cc2cccc(C#N)c2)C1 91951226 MMKLUSRQVXQYRX-SFHVURJKSA-N 361.453 2.311 30 50 FEEA C=C1C(C)(C)[C@@H]2CC[C@@]1(C(=O)N1CCc3nc(C)n(C)c(=O)c3CC1)C2 75414013 GLFIMEDFBNZCDH-QVKFZJNVSA-N 355.482 2.398 30 50 FEEA N#Cc1ccsc1N1CC[C@H](N2CCC[C@](O)(C(F)(F)F)C2)C1=O 408403621 VWFFWCSHUZDWFF-SMDDNHRTSA-N 359.373 2.114 30 50 FEEA COc1ccc(CC(=O)O/N=C(\N)Cc2ccc(OC)c(OC)c2)cc1 4614370 QMDQEJNCFPUJPX-UHFFFAOYSA-N 358.394 2.313 30 50 FEEA CC(C)(C)OC(=O)N1CCCC(=NN=c2ccc3nncn3[nH]2)CCC1 2325701503 UDPBQWLHWAQGAS-UHFFFAOYSA-N 359.434 2.125 30 50 FEEA C#CCCC1(CCNC(=O)C[C@H](N)Cc2cc(F)c(F)cc2F)N=N1 2325900926 NTCYILAUXDWLEG-GFCCVEGCSA-N 352.360 2.446 30 50 FEEA Cc1ccc(N2CCC[C@H](/N=C(/O)c3cc(F)cc4nn[nH]c34)C2)nn1 328656120 NLUFLGGVQZBYCR-LBPRGKRZSA-N 355.377 2.169 30 50 FEEA N#Cc1cccnc1N1CCC(NC(=O)Cn2ncc3ccccc32)CC1 244882600 XUVJNNQBZMNXBJ-UHFFFAOYSA-N 360.421 2.088 30 50 FEEA COc1cc(N/C(S)=N\CCCN2CCOCC2)cc(OC)c1OC 13521115 KDYPMLNJJJBVCE-UHFFFAOYSA-N 369.487 2.132 30 50 FEEA C=CCCC(=O)NC[C@H]1[C@H]2CN(C(=O)CSC(C)C)C[C@]23CC[C@H]1O3 1857726309 LDPJHPRYOUHDKI-WFXMFSGNSA-N 366.527 2.216 30 50 FEEA Cn1cc(Oc2ccccc2C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)cn1 374537776 NTYZTZPMTYAZBU-HNNXBMFYSA-N 351.410 2.025 30 50 FEEA C=CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1cc(OC)c(OC)c(OC)c1 4113708 VHSCYUIKWCEHGJ-OAHLLOKOSA-N 362.382 2.070 30 50 FEEA C[C@@H]1C[C@H]2CN(C(=O)C(C)(C)CCC#N)C[C@H]2N1C(=O)[C@@H]1CCCOC1 2325866144 BKQSSOOOVAPIBX-WCXIOVBPSA-N 361.486 2.191 30 50 FEEA O=C(O)CN(CC1CC1)C1CC(/N=C(/O)COc2ccc(F)cc2)C1 328634027 MJRKYSIYYPLTDU-UHFFFAOYSA-N 350.390 2.489 30 50 FEEA Cc1noc(C)c1CO[C@H]1CCN(C(=O)COc2ccccc2C#N)C1 375171674 QPHNSLMUIMBVEZ-INIZCTEOSA-N 355.394 2.360 30 50 FEEA COC(=O)CSc1nc(N)c(C#N)c(-c2ccc(OC)cc2)c1C#N 19904870 CRKXXTRCPBTVHE-UHFFFAOYSA-N 354.391 2.348 30 50 FEEA N#Cc1cccc(C2(C(=O)N[C@H]3C[C@H](Cn4ccnc4)C[C@@H]3O)CCC2)c1 1857527107 WFBNRCBLLWWDIB-WDSOQIARSA-N 364.449 2.132 30 50 FEEA C=CCN(Cc1cccc(OC)c1)C(=O)c1cnc2nc(O)nc(O)c2c1 1875302798 HUDWBJQHBAIDCA-UHFFFAOYSA-N 366.377 2.273 30 50 FEEA COc1c(F)cccc1C(=O)NC1CCN(c2ncccc2C#N)CC1 67605806 UEKAGVYBZGYCGB-UHFFFAOYSA-N 354.385 2.500 30 50 FEEA Cc1cc(C#N)ccc1S(=O)(=O)N1C[C@H](CO)[C@H](c2ccsc2)C1 188881960 NPUZSJNDCSWTIV-CVEARBPZSA-N 362.476 2.325 30 50 FEEA Cc1nc(N2CC[C@H](c3cc(O)nc(N4CCCC4)n3)C2)ccc1C#N 864310987 DKISHZGOBDYNDP-HNNXBMFYSA-N 350.426 2.351 30 50 FEEA CC(C)c1noc(CCCN2CC(=O)C(c3nc4ccccc4[nH]3)=C2N)n1 218434132 NMILLNOAHAERHM-UHFFFAOYSA-N 366.425 2.214 30 50 FEEA CC(C)(C/N=C(/O)CN1CCC(O)=NC1=O)c1ccc2c(c1)OCCO2 329477841 OLKAJHWCMAPJAG-UHFFFAOYSA-N 361.398 2.474 30 50 FEEA C[C@H]1C[C@@H]2[C@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@H]3C(=O)C[C@@]2(C)[C@]1(O)C(=O)CO 253617861 PIDANAQULIKBQS-PFLJPKCCSA-N 372.461 2.012 30 50 FEEA C=CCN1CCN(C(=O)c2ccc(-c3c(COC)n[nH]c3C)cc2)CC1 534655177 OKYILLQIMNHSRE-UHFFFAOYSA-N 354.454 2.475 30 50 FEEA CC[C@H](C)n1nc(NC(=O)N2CCN(c3ncccc3C#N)CC2)cc1C 332140066 NEGDJNZJEWASMX-AWEZNQCLSA-N 367.457 2.783 30 50 FEEA COc1ccc(OC)c(/C=N/N2C(=O)[C@@H]3[C@H](C2=O)[C@H]2C=C[C@H]3C23CC3)c1 105209519 FMCNYTQYSYLTNI-UBBZRTRHSA-N 352.390 2.235 30 50 FEEA CN(C/C(O)=N/CC(F)(F)F)C[C@@H]1CCCN(C)[C@H]1c1cnn(C)c1 328652313 WILNPEQBJGNAAE-SWLSCSKDSA-N 361.412 2.254 30 50 FEEA C[C@H](NC(=O)C1CCN(c2ccc(C#N)cc2F)CC1)C(=O)N1CCCC1 286040190 SWQYUHWXSNWOTD-AWEZNQCLSA-N 372.444 2.041 30 50 FEEA CCOc1cccc([C@@H]2CC(=O)NC3=C2C(=O)[C@H](C(=O)OC)[C@@H](C)C3)c1 16606677 DQUZRLXHEYWQCK-PZSREKOKSA-N 357.406 2.341 30 50 FEEA N#Cc1cccc(N2C[C@@H]3[C@H](CNC(=O)c4ccccc4)[C@H]4CC[C@]3(C2)O4)n1 1857725800 NHRYSROKFRRDAH-JZJXAQOMSA-N 374.444 2.367 30 50 FEEA N#Cc1n[nH]c(=N[C@H]2CC[C@@H](NC(=O)C3(F)CC3)c3ccccc32)s1 1875408163 PTSDWXFOMOGLPU-OLZOCXBDSA-N 357.414 2.438 30 50 FEEA CN(C)CCOc1ccc2c(=NC(=O)c3cc(F)cc(C#N)c3)[nH][nH]c2c1 2100543162 NJUPTWDMOYGWJA-UHFFFAOYSA-N 367.384 2.188 30 50 FEEA OC(=Nc1cnn(C/C(O)=N/C2CCCC2)c1)[C@@H]1CCc2nn[nH]c2C1 328983753 YYJUDRVSLPJOTR-LLVKDONJSA-N 357.418 2.293 30 50 FEEA C[C@@H]1C[C@@H]1N1C[C@H](/N=C(/O)N2CCC(Cc3cccnc3)CC2)CC1=O 329096156 BQGMCCVIXNOCJG-OLMNPRSZSA-N 356.470 2.259 30 50 FEEA C=CCN1C[C@@]2(C(=O)O)CN(Cc3ccc4ccn(CC)c4c3)C[C@H]2C1=O 77353801 PYUXRDAMQQZZQJ-UWJYYQICSA-N 367.449 2.192 30 50 FEEA C=CCN1CC2(CCC1=O)CCN(Cc1ccc(OCCO)cc1)CC2 91365039 DITSTWBBNMXJEO-UHFFFAOYSA-N 358.482 2.448 30 50 FEEA C=CCn1cc(CN2CCCN(C(=O)c3c(C)noc3C)CC2)c(C)n1 1772814769 ARSWGBXRIHPOPC-UHFFFAOYSA-N 357.458 2.330 30 50 FEEA C=CCn1nc(C(=O)OCC)c2c1CCN(C(=O)c1csc(C)n1)C2 14750548 BIXBCNSWRGOOHR-UHFFFAOYSA-N 360.439 2.209 30 50 FEEA C#CCCC1(CCNC(=O)[C@@H](c2ccccc2)N2CCC(O)CC2)N=N1 2325890891 AHOQGKYUOHMHBD-GOSISDBHSA-N 354.454 2.266 30 50 FEEA Cc1c(C#N)c2ccccc2n1CC(=O)Nc1cnc2ccccn2c1=O 2100537506 OMDMMZDVEIIGQN-UHFFFAOYSA-N 357.373 2.468 30 50 FEEA C=CCNC(=O)C1CCN(S(=O)(=O)Cc2cccc(Cl)c2)CC1 24610300 VUCCMXKKNLQKJE-UHFFFAOYSA-N 356.875 2.184 30 50 FEEA CS(=O)(=O)N(C1CCC1)[C@@H]1CCCN(C[C@H](C#N)CCC#N)CC1 328621635 AODXYELTUSVAGE-DOTOQJQBSA-N 352.504 2.099 30 50 FEEA O=C1[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)N1/N=C/c1cc(Br)ccc1O 245226898 RBZDTQLAQDWVSS-FRQHFTANSA-N 361.195 2.296 30 50 FEEA CCC[C@H](NC(=O)OC(C)(C)C)C(=O)ON1C(=O)c2ccccc2C1=O 1772785058 ZLDJXGXCOAXJON-ZDUSSCGKSA-N 362.382 2.434 30 50 FEEA C=CCc1cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)cc(OCC)c1O 1186479 LLPWQRVSAHEOTA-UHFFFAOYSA-N 360.435 2.118 30 50 FEEA CC(C)(O)C#Cc1ccc(C(=O)NCCN2CCc3ccccc3C2)o1 218011359 WUKCCKHESKSJCW-UHFFFAOYSA-N 352.434 2.190 30 50 FEEA CN(Cc1nccc(N)n1)[C@H]1CCCN(c2cccc(F)c2C#N)CC1 328630300 JEXDBZGTHBEEKJ-AWEZNQCLSA-N 354.433 2.560 30 50 FEEA COCCCN1CCC[C@]2(CCN(C(=O)c3ccc(C#N)cc3)C2)C1=O 91691407 AEPQDPSQMWMFKI-HXUWFJFHSA-N 355.438 2.049 30 50 FEEA N/C(=N\OC(=O)c1ccc(I)cc1)c1ccccn1 4844377 RCWCGAHOCDEPGE-UHFFFAOYSA-N 367.146 2.164 30 50 FEEA COc1ccc(OC)c(/C=N/N2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C23CC3)c1 105209514 FMCNYTQYSYLTNI-JWQUYMCKSA-N 352.390 2.235 30 50 FEEA C=CCN(CC=C)Cc1cnc(S(=O)(=O)CCC)n1C[C@H]1CCCO1 20450510 JJODTXAIGBESSQ-QGZVFWFLSA-N 367.515 2.420 30 50 FEEA Cn1c(Cn2cccn2)nnc1[C@@H]1CCCN(Cc2cccc(C#N)c2)C1 91951222 MMKLUSRQVXQYRX-GOSISDBHSA-N 361.453 2.311 30 50 FEEA C#CCCC1(CCNC(=O)COc2nn(C)c3nc(C)cc(C)c23)N=N1 2325887321 GIKMQBGZQAUJAM-UHFFFAOYSA-N 354.414 2.046 30 50 FEEA C#CCCC1(CCNC(=O)[C@@H](C)N2C(=O)c3ccc(C)cc3C2=O)N=N1 2325891234 ZOSUUDDPWVCVPZ-CYBMUJFWSA-N 352.394 2.061 30 50 FEEA C=CCn1nc(C(=O)O)c2c1CC[C@@H](N(C)Cc1ccc3nonc3c1)C2 67654699 AAYZMCIFKPYRRQ-CYBMUJFWSA-N 367.409 2.293 30 50 FEEA N#Cc1cc(CN2C(=O)N[C@]3(CCOc4ccccc43)C2=O)ccc1F 157983147 REIFERFZGHXAKS-IBGZPJMESA-N 351.337 2.427 30 50 FEEA COc1cc(Br)c2c3c1O[C@@H]1CC(=O)C=C(CN(C=O)C2)[C@H]31 214473559 PJVUSCPECBNUTJ-OCCSQVGLSA-N 364.195 2.174 30 50 FEEA COC(=O)C1=C(C)N/C(=C/c2cc3c(cc2Br)OCO3)C1=O 5059763 DBEMTWGHVKDOGY-XCVCLJGOSA-N 366.167 2.138 30 50 FEEA Cc1nnc2n1C[C@H](CNC(=O)CC1=C(c3ccccc3)CCC1=O)C2 1772813682 OJTRXZVGWPBYQP-AWEZNQCLSA-N 350.422 2.082 30 50 FEEA C#CCN1C(=O)[C@](O)(CC(=O)c2ccc(OC)c(OC)c2)c2ccccc21 915179 FGERLOYWIAWTMD-NRFANRHFSA-N 365.385 2.144 30 50 FEEA C=C1[C@@H]2C[C@]3([C@@H]1O)[C@H]1C[C@@H]4[C@@]5(C)CC[C@H](O)[C@@]4([C@H]1N(CC)C5)[C@@H]3CC2=O 100472977 CBOSLVQFGANWTL-WMNRTSLWSA-N 357.494 2.000 30 50 FEEA biogenic,in-vitro C[C@H](NC(=O)CCN1CCN(c2ccc(C#N)cn2)CC1)c1ccccc1 193770038 UDSJIPWPSHPPFZ-KRWDZBQOSA-N 363.465 2.343 30 50 FEEA CC(=O)N1C[C@@H](NC(=O)c2ccc(F)c(C#N)c2)CC[C@@H]1C(F)(F)F 886065999 FBBHCCGBFSZTJD-GXTWGEPZSA-N 357.307 2.369 30 50 FEEA COC1(C/N=C(/O)N(C)C[C@@H]2CCCN(C)[C@H]2c2cnn(C)c2)CCC1 328645923 ZUSJQPSUKCUERS-DOTOQJQBSA-N 363.506 2.218 30 50 FEEA CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)N1CCN(Cc2cccc(F)c2)CC1 330568374 LVIOFCHSINQVNZ-OXJNMPFZSA-N 360.477 2.386 30 50 FEEA O=C1C(Br)=C[C@H]2[C@@H]1[C@H]1C=C[C@@]2(Br)C12OCCO2 238850828 CWLJXBQYHGTEDC-UAPOJFLHSA-N 362.017 2.157 30 50 FEEA C=CCc1cc(/C=C2/SC(=S)N(CC(=O)O)C2=O)cc(OC)c1O 1151167 STPRZCXNTFVIFQ-KPKJPENVSA-N 365.432 2.415 30 50 FEEA CCc1ccnc(C/N=C(/O)N2CCN(C)[C@@H](c3nc(C4CC4)no3)C2)c1 329185715 ORNJZALZSNBMNJ-MRXNPFEDSA-N 370.457 2.307 30 50 FEEA C#CCCC1(CCNC(=O)Cc2sc(-c3ccn(C)n3)nc2C)N=N1 2325887492 WOSRFALSXNLRMS-UHFFFAOYSA-N 356.455 2.476 30 50 FEEA C#CCCC1(CCNC(=O)[C@@H]2CC(=O)N(c3cc(C)ccc3OC)C2)N=N1 2325890980 KBQSSECUXKJWKQ-OAHLLOKOSA-N 368.437 2.438 30 50 FEEA O=C1O[C@@H]2CN(Cc3ccc(C#CCCO)cc3)C[C@@H]2N1C1CCCC1 12314776 KTWLYLVVKKMXDN-VQTJNVASSA-N 354.450 2.368 30 50 FEEA N#Cc1ccc(O[C@@H]2COCC[C@H]2NC(=O)CCc2ccccn2)cc1 222792516 HONYVNPLJOVNIG-RTBURBONSA-N 351.406 2.239 30 50 FEEA N#Cc1cc(-c2cccc(C(=O)N3C[C@@H](CO)[C@H](CO)C3)c2)ccc1F 426498565 NCKQJRXCGSGZTQ-ROUUACIJSA-N 354.381 2.037 30 50 FEEA Cc1cc(C#N)ccc1C(=O)N1CC[C@H](c2cc(O)nc(N(C)C)n2)C1 864838233 ACCWHZLXCWROBF-AWEZNQCLSA-N 351.410 2.058 30 50 FEEA Cn1cnc2cc(CN3C[C@@H](C#N)[C@]4(C3)C(=O)Nc3ccccc34)ccc21 1875256879 XPMQOQNRXJUQFQ-VFNWGFHPSA-N 357.417 2.419 30 50 FEEA CC#CCN(Cc1ccco1)C(=O)[C@@H](C)N(c1ccccc1)S(C)(=O)=O 55413854 DEEQGGINZXEYIR-MRXNPFEDSA-N 374.462 2.486 30 50 FEEA CCn1c([C@H]2CCCN(Cc3ccc(C#CC(C)(C)O)cc3)C2)n[nH]c1=O 67673693 NLNFIFBNTVIPIB-SFHVURJKSA-N 368.481 2.093 30 50 FEEA O=C([C@@H]1CC[C@H](/N=C(/O)[C@H]2COCCN2CC(F)F)C1)N1CCCCC1 329353735 VCECBHSVJYTYCI-QLFBSQMISA-N 373.444 2.090 30 50 FEEA COc1ccc(N[C@H]2CCCN(C(=O)c3cc(C#N)c(=O)[nH]c3C)C2)cc1 72168816 NFNMURSUADSKNG-INIZCTEOSA-N 366.421 2.280 30 50 FEEA O/C(=N/C[C@@H]1CCC2(CCOCC2)[C@@H]1O)C1CCN(c2cnccn2)CC1 328717018 UILAYAJLRZMRHA-FUHWJXTLSA-N 374.485 2.217 30 50 FEEA CN(C[C@@H]1CCCN(C)[C@H]1c1cnn(C)c1)/C(O)=N/CCn1cccc1 328630859 QHZVATNNYHEUQB-FUHWJXTLSA-N 358.490 2.151 30 50 FEEA C/C=C(\C)C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)C(C)(C)Oc1ccc(C#N)cc1 2325872633 HGOUZFOCUVZSLI-SYUPFQADSA-N 367.449 2.494 30 50 FEEA CC(C)(O)C#Cc1ccc(C(=O)N2CCC(N3CCCC3=O)CC2)cc1 299760752 JSHPTEROVRPUPR-UHFFFAOYSA-N 354.450 2.036 30 50 FEEA CC1(C)OB(c2ccc(OC[C@H](O)CN3CCCCC3)cc2)OC1(C)C 169746688 RFBSFMCUMYXPID-QGZVFWFLSA-N 361.291 2.211 30 50 FEEA in-vitro C[C@H]1CN(/C(O)=N/[C@H](c2cccs2)C2CC2)CCN1S(C)(=O)=O 329490080 SIQRPVXKROOPSE-FZMZJTMJSA-N 357.501 2.079 30 50 FEEA CCOc1cc(C#N)cc(I)c1OCC(=O)OC 2882934 AFCACCANCUHQOA-UHFFFAOYSA-N 361.135 2.113 30 50 FEEA C[C@@H](NC(=O)CCN1CCN(c2ccc(C#N)cn2)CC1)c1ccccc1 60481041 UDSJIPWPSHPPFZ-QGZVFWFLSA-N 363.465 2.343 30 50 FEEA N#Cc1ccc(N2CCC(c3n[nH]c(=O)n3Cc3ccccc3)CC2)nc1 71760345 SVHDHBUIFZBWCE-UHFFFAOYSA-N 360.421 2.270 30 50 FEEA CC(=O)Nc1ccc(/C(C)=N/O[C@@H]2CCCN(c3ccn(C)n3)C2=O)cc1 170642592 NUZFDVXCCAXDIQ-NEIHUHTASA-N 369.425 2.315 30 50 FEEA CC(C)Cn1c(N/N=C/c2ccc(Cl)cc2)nc2c1c(=O)[nH]c(=O)n2C 5917400 IFYWPPVOTCJXTP-UFWORHAWSA-N 374.832 2.179 30 50 FEEA COc1cc(C#N)ccc1OC[C@@H]1CCCN(C(=O)c2c[nH]c(=N)s2)C1 1857735816 BVTYOUIKKZNWQV-CYBMUJFWSA-N 372.450 2.367 30 50 FEEA C=CCC(C)(C)CN1C[C@@H]2[C@H](CNS(=O)(=O)C3CC3)[C@H]3CC[C@]2(C1)O3 1875246499 PTJGYXFYOBJGMN-DODZYUBVSA-N 368.543 2.150 30 50 FEEA C=CCn1c(=O)c2c(nc3n(C4CCCCC4)c(C)c(C)n23)n(C)c1=O 4250872 QHHRDMAXRAAYCW-UHFFFAOYSA-N 355.442 2.457 30 50 FEEA N#Cc1cc(C[C@@H]2CCN(C(=O)[C@@H]3CCCc4nn[nH]c43)C2)ccc1F 1875312894 JKYHCKMFYLCKIU-DZGCQCFKSA-N 353.401 2.327 30 50 FEEA N#Cc1ccc(CN2C(=O)N[C@@]3(CCOc4ccccc43)C2=O)cc1F 191443526 OHNWVPIXEGKZDL-LJQANCHMSA-N 351.337 2.427 30 50 FEEA C=CCc1ccccc1OCCN(C)C(=O)C[C@H]1C[C@H](C)NC(=S)N1 208482206 CPQANENHIGPOMF-GOEBONIOSA-N 361.511 2.267 30 50 FEEA C=CCSc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1cccc(C)c1 12377498 JUOHWHSMMORMEA-UHFFFAOYSA-N 356.451 2.069 30 50 FEEA CC(C)CCN1CCN(Cc2ccc(C#CCCO)cc2)C[C@@H]1CCO 19794825 NKCOFRUZBNJNAS-QFIPXVFZSA-N 358.526 2.335 30 50 FEEA CCn1nc(C(=O)N(CC#N)Cc2ccccn2)c2c1[C@H](C)O[C@H](C)C2 1875372783 MLSDQCYHFLZQKO-KGLIPLIRSA-N 353.426 2.486 30 50 FEEA N#Cc1ccccc1N1CCN(C(=O)[C@H](O)c2ccc(Cl)cc2)CC1=O 82107218 PKMSPHAQPZYHKD-GOSISDBHSA-N 369.808 2.120 30 50 FEEA COc1ccc([C@H]2C3=C(CC(C)(C)CC3=O)Nc3nnnn32)cc1OC 1235164 DUEAVDLMUVCLDV-INIZCTEOSA-N 355.398 2.348 30 50 FEEA C=CCOc1c(CC=C)cc(C=C2C(=O)NC(=O)NC2=O)cc1OCC 2832563 BZMGJEIJNPJRJA-UHFFFAOYSA-N 356.378 2.128 30 50 FEEA O=C(O)c1ccccc1N[C@@H]1C(=O)C=C[C@H]1Nc1ccccc1C(=O)O 4663742 VUEWEFGPBIWPIJ-WBVHZDCISA-N 352.346 2.483 30 50 FEEA N#CCC[C@H](C#N)CN1C(=O)N[C@]2(CCCN(Cc3ccccc3)C2)C1=O 225165035 JBYZOCSPCCQTNG-XLIONFOSSA-N 365.437 2.017 30 50 FEEA Cc1nnc(SCCCn2ccc3nc(O)c(C#N)cc3c2=O)s1 67726036 HAMAKGGJKBUVOW-UHFFFAOYSA-N 359.436 2.316 30 50 FEEA CCC#CC[C@H](C)[C@H](O)C#C[C@H]1[C@@H](O)C[C@@H]2C/C(=C\COCC(=O)O)C[C@@H]21 64857987 ARUGKOZUKWAXDS-RGBSCUPGSA-N 374.477 2.225 30 50 FEEA in-vitro Cc1cc(N/C(O)=N/C[C@@H]2C[C@H](F)CN2Cc2csc(C)n2)no1 328631975 LBOGAFCOIKYBPC-AAEUAGOBSA-N 353.423 2.686 30 50 FEEA Cc1nc(O)c(C#N)cc1C(=O)N1CCC2(CC1)CC(=O)N(CC(C)C)C2 91779832 PEAHKIKKZUUHPN-UHFFFAOYSA-N 370.453 2.078 30 50 FEEA COCCNc1nc(C)nc2c1CCN(Cc1ccccc1C#N)CC2 72411513 NIGANLUJFUKKRL-UHFFFAOYSA-N 351.454 2.316 30 50 FEEA CS(=O)(=O)N(Cc1cn2c(n1)CCCC2)Cc1ccc(C#N)cc1F 328635126 UNHJSHHEOQFJIB-UHFFFAOYSA-N 362.430 2.192 30 50 FEEA N#CC1(C(=O)N2C[C@@H]3CC[C@H](C2)N(Cc2ccccc2)C3)CCOCC1 91604310 ZJWHMIBXLSXGRK-RTBURBONSA-N 353.466 2.430 30 50 FEEA NC(=S)C(=NNc1ccc(Br)cc1)C(=O)N1CCCC1 254867671 DBHZOBZTHRHDPO-UHFFFAOYSA-N 355.261 2.126 30 50 FEEA C=CCOC(=O)NC1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 5725839 PEONFACJXOQDNG-UHFFFAOYSA-N 358.847 2.405 30 50 FEEA CCn1c(NC(=O)COc2ccc(C(N)=O)cc2)nc2cc(C#N)ccc21 131939865 UHBBCVGYRQTOKK-UHFFFAOYSA-N 363.377 2.044 30 50 FEEA CCN(CC)CCN1C(=O)C(O)=C(C(C)=O)[C@H]1c1ccc([N+](=O)[O-])cc1 19771801 QNSRRUVYLNOULJ-MRXNPFEDSA-N 361.398 2.221 30 50 FEEA Cc1c(C#N)c(N2CCC[C@@H](c3nnc(CO)n3C)C2)nc2ccccc12 1857673766 XIEVXPMWEJQGJD-CQSZACIVSA-N 362.437 2.420 30 50 FEEA Cc1n[nH]cc1C/N=C(/O)N1CC[C@H](Oc2cccnc2N2CCCC2)C1 328640123 XDYNPQOCGKXHBS-INIZCTEOSA-N 370.457 2.281 30 50 FEEA Cn1cc(C#N)cc1C(=O)N1CCC[C@H](CNC(=O)c2ccc(F)cc2)C1 95516568 YPFIWPUJYUWEIE-CQSZACIVSA-N 368.412 2.318 30 50 FEEA N#Cc1ccc(O[C@H]2COCC[C@@H]2NC(=O)CCc2ccncc2)cc1 1565512141 ACEUGTJMECOSRO-OALUTQOASA-N 351.406 2.239 30 50 FEEA CCOC(=O)[C@@H]1[C@H](C)Oc2nc(N)c(C#N)c(N)c2[C@H]1c1cccs1 1848444164 RPKBTAKFPSDZFK-AXTRIDKLSA-N 358.423 2.271 30 50 FEEA COc1ccc(C(=O)Oc2ccc(/C=N/NC(N)=S)cc2)cc1OC 2530424 CNMJZOJBRBVTEP-VXLYETTFSA-N 359.407 2.090 30 50 FEEA CNC(=O)[C@@H]1CCC[C@H]1N/C(O)=N/Cc1nc(C(F)(F)F)cs1 330569011 LZNKPULVHBNRSV-HTQZYQBOSA-N 350.366 2.080 30 50 FEEA CN1CCN(C[C@H](C#N)[C@@H](O)c2cc(-c3ccccc3Cl)on2)CC1 96316077 SPNKJTWDXPBXOO-SCLBCKFNSA-N 360.845 2.416 30 50 FEEA C#CCCC1(CCNC(=O)[C@]2(NC(C)=O)CCCc3ccccc32)N=N1 2325891166 UVNVWYBLGFNCAD-FQEVSTJZSA-N 352.438 2.436 30 50 FEEA COc1ccc(C=C[C@H]2C(C#N)(C#N)C(OC)(OC)C2(OC)OC)cc1 1857795373 IRCJBAHQWUFZST-INIZCTEOSA-N 358.394 2.350 30 50 FEEA C=CCn1c(SCC(=O)NC[C@@H]2CCCO2)nnc1-c1ccccc1O 9038895 AKVLDEAKNGTKFZ-ZDUSSCGKSA-N 374.466 2.224 30 50 FEEA COC(=O)c1cc(C(C)(C)/N=C(/O)CCn2c(C)csc2=O)no1 328594128 SRPGIFXQGHQSHP-UHFFFAOYSA-N 353.400 2.275 30 50 FEEA CC#CCN(Cc1ccco1)C(=O)c1cn(CCN2CCCCC2)nn1 12385452 FLOVXGONJIRTFL-UHFFFAOYSA-N 355.442 2.023 30 50 FEEA CC(C)(/N=C(/O)CN1CCOCC1=O)c1ccccc1Br 329861929 QROOJSCTWIDJCZ-UHFFFAOYSA-N 355.232 2.500 30 50 FEEA O=C(C#CC1CC1)N1CCCC[C@@H]1c1n[nH]cc1I 1875296428 WYMPHYIMFROESV-GFCCVEGCSA-N 369.206 2.481 30 50 FEEA O/C(CN1CCN(Cc2ccccn2)CC1)=N\c1cccc2nsnc12 22752409 DBNUJRJZHSALMV-UHFFFAOYSA-N 368.466 2.492 30 50 FEEA C[C@@H]1CN(/C(O)=N/CCc2cc(F)c(F)c(F)c2)CCN1CC(C)(C)O 331215953 DIEFEGNMMWHFDB-GFCCVEGCSA-N 373.419 2.337 30 50 FEEA C=CCN(C)C(=O)c1ccc(S(=O)(=O)NCC[C@H]2CCCCO2)cc1 91452667 SHINHPIHNGEEDA-MRXNPFEDSA-N 366.483 2.182 30 50 FEEA N/C(=N\CCNC(=O)c1ccc(Cl)cc1)NCCc1cccs1 303775408 GVJNJRALXSIVGR-UHFFFAOYSA-N 350.875 2.278 30 50 FEEA COc1ccccc1C1(C/N=C(/O)N2CC[C@@H]3OCCN(C)[C@H]3C2)CCC1 329172852 KOYFPVOEPPICKF-HKUYNNGSSA-N 373.497 2.436 30 50 FEEA Cn1cc([C@H]2OCC[C@@H]2CN2CCN(c3ccccc3C#N)CC2)cn1 952824891 JBNBPYHUMKOLNK-XLIONFOSSA-N 351.454 2.192 30 50 FEEA N#Cc1cc(C[C@@H]2CCN(C(=O)[C@H]3CCCc4nn[nH]c43)C2)ccc1F 1875312897 JKYHCKMFYLCKIU-ZFWWWQNUSA-N 353.401 2.327 30 50 FEEA Cc1nn(CCO)cc1-c1cc(-c2cc(C(=O)O)cs2)nc(N)c1C#N 71638920 HERYCVCLTKURAK-UHFFFAOYSA-N 369.406 2.126 30 50 FEEA COc1cc2c(cc1-c1c(C#N)c(N)nc3c1[C@H]1CC[C@@H](C3)N1)OCCO2 71388605 OPJUDQCWGNHBIZ-GXFFZTMASA-N 364.405 2.331 30 50 FEEA Cc1cc(C)c(C#N)c(N[C@@H]2CCN(Cc3csc(C)n3)C[C@H]2O)n1 299771461 XVZGOXIGOHYAPO-IAGOWNOFSA-N 357.483 2.382 30 50 FEEA C#CCN1CCC[C@H]1C(=O)Nc1ccn(-c2ccc(C#N)cc2Cl)n1 782834797 BRJHWZDYQNHQAF-INIZCTEOSA-N 353.813 2.433 30 50 FEEA COc1ccccc1N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 953490 ZSEQWAXDUNCSJK-UHFFFAOYSA-N 357.435 2.078 30 50 FEEA CC[C@H](Nc1cccc(OC)c1)C(=O)N1CCCn2nc(C#N)cc2C1 65365993 CVXWXCSZZYRTIA-SFHVURJKSA-N 353.426 2.386 30 50 FEEA Cc1ncccc1O[C@H]1CCN(S(=O)(=O)c2ccc(F)cc2C#N)C1 328639246 WUFLVCQEDCVOAH-HNNXBMFYSA-N 361.398 2.243 30 50 FEEA N#Cc1cccc(N2CCC(C(=O)O)(n3ccc(-c4ccco4)n3)CC2)n1 72436004 GQGISFWSTZZFRQ-UHFFFAOYSA-N 363.377 2.490 30 50 FEEA N#CCN1CCN(CCC(=O)Nc2ccc(OC(F)(F)F)cc2)CC1 19848487 FEHDIOZURVOUQQ-UHFFFAOYSA-N 356.348 2.055 30 50 FEEA Cc1nc(C)c(CC(=O)N2CC(=O)N(c3ccccc3C#N)C[C@@H]2C)s1 82091166 FQAIKJIAPJFRDS-LBPRGKRZSA-N 368.462 2.438 30 50 FEEA COCCN1CCC[C@H](C(=O)N2CCC(C#N)(c3ccccc3)CC2)C1 97772979 ZIGKJRQOUIPOMI-SFHVURJKSA-N 355.482 2.429 30 50 FEEA OCC#Cc1csc(CN2CCN3[C@@H](c4ccccc4)COC[C@H]3C2)c1 1529118632 NMXONPSZSCRDRT-TZIWHRDSSA-N 368.502 2.350 30 50 FEEA CCC[C@H](C)CC(=O)NCCN1CCN(c2nc(C)ccc2C#N)CC1 2325867322 RKLAQHCPFQYERV-INIZCTEOSA-N 357.502 2.326 30 50 FEEA C#CCCC1(CCNC(=O)c2cc(F)ccc2NC(=O)CCOC)N=N1 2325891169 VDFFOQSYOBWVAJ-UHFFFAOYSA-N 360.389 2.496 30 50 FEEA Cc1ccc2c(c1)N(CC(=O)N1CCN([C@@H](C#N)C(C)C)CC1)C[C@H](C)O2 253417618 MOIQLZNUUVRPEZ-HKUYNNGSSA-N 370.497 2.275 30 50 FEEA Cn1nc([C@@H]2CCCN(c3cc(C#N)ccn3)C2)n(-c2ccccc2)c1=O 71279038 HRQUXBRKQOJELR-MRXNPFEDSA-N 360.421 2.222 30 50 FEEA C=CCNC(=O)c1nnn(-c2ccc(I)cc2)c1C 12274011 ZJBJRMFZTQZVBS-UHFFFAOYSA-N 368.178 2.096 30 50 FEEA CC(C)c1noc([C@H](NC(=O)c2ccc(C#N)cn2)C2CCOCC2)n1 328611737 MOSAXWKGWLOUGE-OAHLLOKOSA-N 355.398 2.357 30 50 FEEA COc1ccc(/C(O)=N/[C@@H]2CC(=O)N(C(C)C)C2=O)cc1Br 331220250 UGVOTNNYTJKZNL-LLVKDONJSA-N 369.215 2.298 30 50 FEEA C#CCCC1(CCNC(=O)c2cc(C(C)(C)C)n3nc(C)nc3n2)N=N1 2325891197 XELSTDUOGHYYOS-UHFFFAOYSA-N 353.430 2.426 30 50 FEEA COc1ccccc1N1CCN(/N=C\c2ccccc2OCC(=O)O)CC1 4892935 ONGBFKZWJGUXKH-STZFKDTASA-N 369.421 2.315 30 50 FEEA Cc1cc(-n2c(SCC(=O)O)nnc2-c2cccc(C#N)c2)n(C)n1 65433390 BRODZSCRMSTWDC-UHFFFAOYSA-N 354.395 2.025 30 50 FEEA C=CCN1C[C@@H](C(=O)NCCc2c(C)[nH]c3c(F)cc(F)cc23)CC1=O 820474735 BFVSYWRFJKPQDQ-LBPRGKRZSA-N 361.392 2.448 30 50 FEEA N#Cc1ccc(CN2CC[C@H](NC(=O)c3cccc(F)c3F)C2=O)cc1 192120362 ZGZDFDFGSOWPDO-INIZCTEOSA-N 355.344 2.367 30 50 FEEA CCN1CCC[C@@H](CN(C)C(=O)c2cc(C#N)c[nH]2)[C@@H]1c1cnn(C)c1 328619291 FRDOKTDCGNDOTC-MAUKXSAKSA-N 354.458 2.165 30 50 FEEA CC(C)n1cc([C@@]2(O)CCN(CCCOc3cccc(C#N)c3)C2)nn1 375343626 XJXXFBPKVZHLHY-LJQANCHMSA-N 355.442 2.093 30 50 FEEA N#Cc1ccc(-c2ccc(C(=O)NC[C@@]3(O)CCNC3)cc2)cc1Cl 426428730 GJMPPALFICDULT-LJQANCHMSA-N 355.825 2.333 30 50 FEEA Cc1noc(C)c1CN1CCC2(CC1)CN(c1cccc(C#N)n1)CCO2 826791913 MPLCHNQVJOVRNF-UHFFFAOYSA-N 367.453 2.430 30 50 FEEA CCNS(=O)(=O)c1ccc(C)c(C(=O)N2CCCC(C)(C)[C@@H]2C#N)c1 277436540 FAELHBYAUPOKRU-INIZCTEOSA-N 363.483 2.448 30 50 FEEA Cc1cc(C#N)ccc1S(=O)(=O)N1C[C@@H](CO)[C@H](c2ccsc2)C1 188881981 NPUZSJNDCSWTIV-HOTGVXAUSA-N 362.476 2.325 30 50 FEEA COC(=O)c1cc(=O)c2cc(Cl)cc(B3OC(C)(C)C(C)(C)O3)c2[nH]1 170004836 REESXNNNTRNSGP-UHFFFAOYSA-N 363.606 2.267 30 50 FEEA CN(C)c1ccc(N[C@@H]2CCCN(/C(O)=N/CCn3ccnc3)CC2)cn1 328630146 JBNPCGPLQXDMDV-MRXNPFEDSA-N 371.489 2.225 30 50 FEEA Cc1nnc(-c2cccc(C#N)c2)n1[C@@H]1CCCN(c2cnn(C)c2)C1=O 174168138 BDSMNDXSNMYUKV-QGZVFWFLSA-N 361.409 2.227 30 50 FEEA CCOc1ccc(NC(=O)N2CCN(Cc3nccn3C)CC2)cc1C#N 96153185 QUXPSBYLYQDEJF-UHFFFAOYSA-N 368.441 2.040 30 50 FEEA C=CCN(Cc1ccccc1OC)S(=O)(=O)N1CCC[C@@H](COC)C1 952981832 WQRGKMIATBSWOS-MRXNPFEDSA-N 368.499 2.286 30 50 FEEA C#CCCC1(CCC(=O)Nc2ccc(CN3C(=O)CNC3=O)cc2)N=N1 2325894659 GMMLATYRMOJOIK-UHFFFAOYSA-N 353.382 2.033 30 50 FEEA Cn1nccc1[C@@H]1OCC[C@H]1CN1CCO[C@@H](c2cccc(C#N)c2)C1 328993406 TUFQIWWAERMXFZ-DFQSSKMNSA-N 352.438 2.443 30 50 FEEA CC1(C)CN(/C(O)=N/[C@@H]2CCCC[C@H]2S(C)(=O)=O)[C@@H]1[C@H]1CCCO1 330200265 ACLWTTZXTVVLCU-KBUPBQIOSA-N 358.504 2.146 30 50 FEEA C[C@H]1CN(c2ccc(C#N)cc2)C(=O)CN1C(=O)c1ncc(F)cc1F 82146895 CMGHQXPSBLRZEY-NSHDSACASA-N 356.332 2.109 30 50 FEEA N#Cc1ncn(CC(=O)N2CCC(c3c[nH]c4cc(F)ccc34)CC2)n1 178558206 SZCUSVRZBZYJRC-UHFFFAOYSA-N 352.373 2.176 30 50 FEEA O=C1[C@H]2[C@H]3C=C[C@H]([C@H]2C(=O)N1N=Cc1ccc(Br)o1)[C@@H]1C[C@@H]31 245226781 KWYWMVFAEKHVOI-FMTAVQCISA-N 361.195 2.429 30 50 FEEA C=CCN1C[C@@H](C(=O)N2CCC(N(C)Cc3ccccc3)CC2)CC1=O 820474719 AGKMSTGWWDRJPJ-SFHVURJKSA-N 355.482 2.144 30 50 FEEA N#Cc1ccc(S(=O)(=O)N2CCC[C@H](n3nnc4ccccc43)C2)cc1 16578127 JOGIJCLZRSCAFJ-HNNXBMFYSA-N 367.434 2.329 30 50 FEEA C=CCn1c(S[C@@H](C)C(=O)NC(C)(C)C)nnc1C1CCNCC1 426701568 GWQHIAVTGFKOTJ-LBPRGKRZSA-N 351.520 2.326 30 50 FEEA CN(C)CCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@@H]1c1ccncc1 19884322 UNZDTJNIIQYUEC-KRWDZBQOSA-N 351.406 2.222 30 50 FEEA Cc1nc(C/N=C(/O)N(C)C[C@@H]2CCc3nc(C(F)(F)F)cn3C2)no1 328637410 VYBNXBFHGWBTAX-JTQLQIEISA-N 372.351 2.202 30 50 FEEA C#CCCC1(CCNC(=O)c2ccc3c(=O)n(C(C)C)c(O)nc3c2)N=N1 2325887480 VUGKGCXYYHWCGR-UHFFFAOYSA-N 367.409 2.378 30 50 FEEA C#CCCC1(CCC(=O)N[C@H]2CCc3nnc(C(F)(F)F)n3C2)N=N1 2325900747 IBIBLEJRAWQJJK-JTQLQIEISA-N 354.336 2.084 30 50 FEEA Oc1ccc(O)c2c1[C@H](O)[C@@H]1O[C@@H]1[C@]21Oc2cccc3c(O)ccc(c23)O1 2332919364 WPTGKUTUOFNZAS-MUGJNUQGSA-N 366.325 2.395 30 50 FEEA C=C(C)[C@@H]1OCC[C@@H]1C/N=C(/O)N[C@@H]1CCCN(c2ccc(C)nn2)C1 328619446 VYOIPUQIQYQHKD-NUJGCVRESA-N 359.474 2.239 30 50 FEEA N#Cc1c(N)nc2c(c1-c1ccc(CO)o1)CN(C(=O)c1ccccc1)CC2 72152895 MAWCSCXLXRGPEU-UHFFFAOYSA-N 374.400 2.486 30 50 FEEA CO[C@H](C)c1nsc(N2C[C@H](C#N)[C@@]3(C2)C(=O)Nc2ccccc23)n1 367164246 GVRVLFBTRZZBLC-VGTOOOLASA-N 355.423 2.095 30 50 FEEA N/C(=N\OC(=O)c1cccc(I)c1)c1ccccn1 5103098 GJJSUIXYOUPZEV-UHFFFAOYSA-N 367.146 2.164 30 50 FEEA Cc1c(CN2C[C@@H]3CC[C@H](C2)C(=O)N3Cc2ccccn2)cc(C#N)n1C 219990902 XDVJOURQMRBZOZ-APWZRJJASA-N 363.465 2.223 30 50 FEEA Cn1nccc1[C@H]1[C@H](NCc2cc(C#N)ccc2F)CC(=O)N1C1CC1 499789497 APJFDEHEGLZCLZ-VQIMIIECSA-N 353.401 2.025 30 50 FEEA Cn1[nH]nnc1=NC(=O)c1ccc(C(F)(C(F)(F)F)C(F)(F)F)cc1 904191288 QNDZRIZGWNXOSJ-UHFFFAOYSA-N 371.216 2.174 30 50 FEEA N#Cc1cccc(C(=O)N[C@@H]2COCC[C@H]2Oc2ccc(CO)cc2)c1 219784985 VATSDVCRDDIEHS-RTBURBONSA-N 352.390 2.017 30 50 FEEA COc1cccc(N2CCN(C(=O)c3cc(F)cc(C#N)c3)CC2=O)c1 82108916 YOJMHQBICPFSQD-UHFFFAOYSA-N 353.353 2.195 30 50 FEEA Cc1ccc(C#N)c(N2CCN(C)[C@@]3(CCC(=O)N(CC4CC4)CC3)C2)n1 230196837 JIAZOXPXDFXEMV-OAQYLSRUSA-N 367.497 2.175 30 50 FEEA Cc1noc(C)c1C(=O)N1CCCN(C(=O)c2ccc(C#N)cc2)CC1 1772706122 XWJGQOQKJIZOMB-UHFFFAOYSA-N 352.394 2.151 30 50 FEEA CCn1cc([C@@H]2OCC[C@H]2CNC(=O)c2ncc(C#N)cc2Cl)cn1 886093341 BPZDOQJQPSDGHV-BLLLJJGKSA-N 359.817 2.331 30 50 FEEA C#CCCC1(CCNC(=O)[C@@H]2CCN(c3cc(F)cc(F)c3)C2=O)N=N1 2325891164 UUXIQCGHQVPUHW-HNNXBMFYSA-N 360.364 2.400 30 50 FEEA C#CCCC1(CCNC(=O)CCn2cnc3c(C)cccc3c2=O)N=N1 2325891233 ZKVJJXHCHJZZOZ-UHFFFAOYSA-N 351.410 2.177 30 50 FEEA C=CCn1cc(CN2CCN(Cc3cccc(OC)c3)C(=O)C2)c(C)n1 55284067 LSRWIRDJDWYSFG-UHFFFAOYSA-N 354.454 2.231 30 50 FEEA N#Cc1cc(-n2ccnc2-c2cc3n(n2)CCNC3)ccc1N1CCCC1 72412477 DEXHIEWSTXGZCA-UHFFFAOYSA-N 359.437 2.311 30 50 FEEA CN(C)C[C@@H]1OCCN(C(=O)c2ccc(C#N)nc2)[C@H]1c1ccccc1 1857718204 CNPUANMYRNKLPA-OALUTQOASA-N 350.422 2.097 30 50 FEEA C=C1[C@H]2C[C@@]3([C@@H]1O)[C@H]1C[C@H]4[C@@]5(C)CC[C@@H](O)[C@@]4([C@H]1N(CC)C5)[C@@H]3CC2=O 253369398 CBOSLVQFGANWTL-BZOYOLDFSA-N 357.494 2.000 30 50 FEEA biogenic C#CCCC1(CCC(=O)NCCN2CCN(c3ccccc3)CC2)N=N1 952880134 CIPLNLOTNWLGIR-UHFFFAOYSA-N 353.470 2.281 30 50 FEEA N#Cc1ccc(O[C@@H]2CCOC[C@H]2NC(=O)c2ncc(F)cc2F)cc1 218879186 APHFULAFEIFWCN-HZPDHXFCSA-N 359.332 2.198 30 50 FEEA CCN1C[C@@]2(CCCN(c3nc(C)c(C(=O)OC)cc3C#N)C2)CCC1=O 72439287 PLGVWFWNIXUISH-HXUWFJFHSA-N 370.453 2.277 30 50 FEEA O=S(=O)(C1CC1)N1CCC[C@@H](/N=C(/O)N[C@H]2CC23CCCCC3)C1 329201458 BWEPDGQFHPSBPT-HIFRSBDPSA-N 355.504 2.169 30 50 FEEA CCN1C(=O)C[C@@H](CNC(=O)c2cc(C#N)oc2C)[C@@H]1c1cccnc1 888079035 YPFGNBJASNUQEC-KSSFIOAISA-N 352.394 2.194 30 50 FEEA C#CCCC1(CCC(=O)NC[C@H]2C[C@@H](O)CN2Cc2ccccc2)N=N1 2325892967 XFZGTSFRRNSVQS-QZTJIDSGSA-N 354.454 2.094 30 50 FEEA COC(=O)[C@H](/C=N/OCc1ccc([N+](=O)[O-])cc1)NC(=O)c1ccccc1 5209728 RYBDGPZAUQWHPT-ZVCOJXFSSA-N 371.349 2.069 30 50 FEEA C#CCCCCNC(=O)N[C@H](c1ccc2c(c1)OCCO2)c1noc(C)n1 372163964 RZJFBDKKZZMAMU-QGZVFWFLSA-N 370.409 2.341 30 50 FEEA C=CCn1nc(C(=O)N2CCCCCC2)c2c1CC[C@H](N1CCOCC1)C2 14530573 XDNPAXKCZYWQCV-KRWDZBQOSA-N 372.513 2.275 30 50 FEEA CC(C)(C/N=C(/O)N[C@H]1CC(=O)N(C2CC2)C1)c1ccc2c(c1)OCCO2 330264463 XYXFLBLYUWEHNS-AWEZNQCLSA-N 373.453 2.002 30 50 FEEA CC1(C)OB(C2=CCN(C(=O)c3cnn4ccncc34)CC2)OC1(C)C 1875366780 VQXOQPUYNFOHBF-UHFFFAOYSA-N 354.219 2.133 30 50 FEEA C[C@@H]1O[C@H](C)Cc2c(C(=O)N(C)CCOc3cccc(C#N)c3)nn(C)c21 1875400843 ODXBDLUGYJELNK-KGLIPLIRSA-N 368.437 2.465 30 50 FEEA Cc1cc(C)n(-c2cccc(CN3CCN(c4nccnc4C#N)CC3)c2)n1 65372792 UQQOPQPSUIBHML-UHFFFAOYSA-N 373.464 2.473 30 50 FEEA C/C(=N\NS(=O)(=O)c1ccc(C(C)C)cc1)c1c(O)cc(C)oc1=O 17074884 OAGIDAMNTIUKDP-LDADJPATSA-N 364.423 2.480 30 50 FEEA C#CCCC1(CCC(=O)N2Cc3cccnc3N3C[C@H](OC)C[C@@H]3C2)N=N1 952883252 YGKSLSZJGNBJJO-IAGOWNOFSA-N 367.453 2.373 30 50 FEEA Cc1c(-c2c(C#N)c(N)nc3c2CN(C(=O)C2CC2)CC3)cc(C#N)n1C 71479420 VSWOOOREQPUJSX-UHFFFAOYSA-N 360.421 2.016 30 50 FEEA C=CC(=O)Nc1ccc(C(=O)NC2CCC(C#CC(=O)OC)CC2)cc1 1875380940 FMBIPLDBNASXEH-UHFFFAOYSA-N 354.406 2.276 30 50 FEEA C=CCc1cccc2cc(C(=O)N3[C@H]4CC[C@@H]3CC(=O)NC4)c(=O)oc12 65528288 DMJWHYSKQJCZSA-CABCVRRESA-N 352.390 2.015 30 50 FEEA N#Cc1ccnc(NCc2cc3n(n2)CCCN(C(=O)C2CCC2)C3)c1 82121154 LQBOGLYGCGHJTI-UHFFFAOYSA-N 350.426 2.294 30 50 FEEA CCCn1nnc2cc(C(=O)OCC)cc(B3OC(C)(C)C(C)(C)O3)c21 170008584 VKQFUUZWXPZCJB-UHFFFAOYSA-N 359.235 2.317 30 50 FEEA Cc1c([C@@H]2[C@H](/C(O)=N/[C@@H]3[C@@H]4CCO[C@@H]4C3(C)C)CC(=O)N2C)cnn1C 329877236 JAJSXFDJGDRJFA-GMKCAIKYSA-N 360.458 2.018 30 50 FEEA C=CCN(CC=C)C(=O)[C@H]1CCCN(C2CCN(C(=O)C3CC3)CC2)C1 12711966 IFAUPJBNCQBDFX-SFHVURJKSA-N 359.514 2.300 30 50 FEEA O/C(=N/Cc1ccco1)N1CCO[C@@H](c2ccnc(N3CCCC3)n2)C1 328642865 YOAUKBKQRDSZAI-MRXNPFEDSA-N 357.414 2.157 30 50 FEEA COc1cccc(C(=O)N2CCN(Cc3cc(C#N)n(C)c3C)CC2)c1 72156463 GLYFDADKGVUNEO-UHFFFAOYSA-N 352.438 2.172 30 50 FEEA N#Cc1ccnc(N2C[C@@H]3COC[C@H](C2)N(C(=O)CC2CCCC2)C3)c1 1772700776 HIWVWKAQEASFGZ-ROUUACIJSA-N 354.454 2.197 30 50 FEEA CC1(C)OB(c2cnc3c(c2)c(C=O)nn3[C@H]2CCCCO2)OC1(C)C 169976576 SGECEHYWAFINCS-OAHLLOKOSA-N 357.219 2.242 30 50 FEEA COc1ccc([C@@H]2C3=C(CC(C)(C)CC3=O)Nc3nnnn32)cc1OC 1235163 DUEAVDLMUVCLDV-MRXNPFEDSA-N 355.398 2.348 30 50 FEEA COCCN1C(=O)C(O)=C(C(=O)c2ccco2)[C@@H]1c1ccc([N+](=O)[O-])cc1 6786393 KZZKFVOSDPUEAZ-HNNXBMFYSA-N 372.333 2.413 30 50 FEEA Cc1ccc(C#N)cc1S(=O)(=O)NC(=O)[C@H]1Oc2ccccc2[C@@H]1C 118149000 OMHULIOQZCOHHN-SJCJKPOMSA-N 356.403 2.236 30 50 FEEA COc1cc(Br)c2c3c1O[C@H]1CC(=O)C=C(CN(C=O)C2)[C@H]31 214473506 PJVUSCPECBNUTJ-JSGCOSHPSA-N 364.195 2.174 30 50 FEEA CN1C(=O)[C@](O)(CC(=O)/C=C\c2ccc3c(c2)OCO3)c2ccccc21 13124857 HOALSGLTTQFRPG-LZVBJTEYSA-N 351.358 2.252 30 50 FEEA COc1cc(/C=N/n2c(S)nnc2-c2ccccn2)ccc1OC(C)=O 5408079 XFAJEEWZSISMCV-VXLYETTFSA-N 369.406 2.445 30 50 FEEA O/C(=N/CCn1ccnc1)NC[C@@H]1C[C@H](F)CN1Cc1cccs1 328654658 XOZZPTIRUCNIAE-KBPBESRZSA-N 351.451 2.061 30 50 FEEA C=C(C)[C@H]1OCC[C@H]1C(=O)N[C@H]1CN(C(=O)c2ccn(C(C)C)n2)C[C@H]1C 2325872956 SWAWUVQZGBFMNW-XYVMCAHJSA-N 374.485 2.022 30 50 FEEA C#CC[C@H](C)C(=O)NC1(C2CN(C(=O)C(Br)=C(C)C)C2)CC1 2325878578 VDVRWPHLVFFXDT-LBPRGKRZSA-N 367.287 2.442 30 50 FEEA C=CCNC(=O)C1CCN(c2ccc3nnc(-c4ccccc4)n3n2)CC1 61717703 NKNLSMZBBKCWDH-UHFFFAOYSA-N 362.437 2.310 30 50 FEEA CN(C)Cc1nnc(C2CCN(C(=O)Nc3cccc(C#N)c3)CC2)n1C 77337771 ABLVUWLSRIMZDO-UHFFFAOYSA-N 367.457 2.160 30 50 FEEA N#Cc1cc(F)cc(C(=O)N[C@H]2CC(=O)N(Cc3ccc(F)cc3)C2)c1 72161535 CDPDZFHKLJDCCO-KRWDZBQOSA-N 355.344 2.367 30 50 FEEA Cc1ccc([C@@H]2CN(C(=O)c3ccc(C#N)nc3)C[C@H]2NC(=O)C2CC2)cc1 82134113 XPXNNIQKSQOEBB-VQTJNVASSA-N 374.444 2.396 30 50 FEEA CCc1nc(C)c(C(=O)N[C@@H]2CCOC[C@H]2Oc2ccc(C#N)cc2)o1 223246223 VQDJAZVSCNJEIG-HZPDHXFCSA-N 355.394 2.383 30 50 FEEA C=CCn1c(N)nnc1SCCOc1ccc(/C=C/C(=O)OC)cc1 170596801 OTMIUJSVRRIGDD-RMKNXTFCSA-N 360.439 2.404 30 50 FEEA CCOC(=O)[C@H]1[C@@H](C)C=C[C@H]2CN(S(=O)(=O)c3cccc(C#N)c3)C[C@H]12 1857695613 RDRIFRYCCGQMRG-IKICRFKJSA-N 374.462 2.180 30 50 FEEA C=C1[C@H]2C[C@@]3([C@H](CC2=O)[C@@]24[C@@H](O)CC[C@@]5(C)CN(CC)[C@H]2[C@@H]3C[C@@H]54)[C@@H]1O 100784123 CBOSLVQFGANWTL-MKMRBWBWSA-N 357.494 2.000 30 50 FEEA biogenic C=CCNc1ccccc1C(=O)NC[C@H](c1ccccn1)N1CCOCC1 55414760 LOBHTADLWIPVKE-HXUWFJFHSA-N 366.465 2.483 30 50 FEEA Cc1ccccc1[C@]1(O)CCN(C(=O)c2ccc(C#CC(C)(C)O)o2)C1 65451578 QTWJRUQWLDSBQE-NRFANRHFSA-N 353.418 2.444 30 50 FEEA COc1ncnc(N(C)C)c1N=C(O)N1Cc2ccccc2OC[C@H]1C 329493110 ZYBCCUKPKDOCEP-GFCCVEGCSA-N 357.414 2.380 30 50 FEEA COc1ccc(C#N)cc1NC(=O)N1CCC[C@H](c2ccnc(N)n2)C1 331780691 DZJHLEDETBFZLN-ZDUSSCGKSA-N 352.398 2.351 30 50 FEEA CCc1noc(CC)c1CC(=O)N1CC[C@H](Oc2ccc(C#N)cn2)C1 370665407 BGJCVQFKQGHJRI-AWEZNQCLSA-N 354.410 2.288 30 50 FEEA N#CCOc1cccc(CC(=O)N2CC[C@](O)(c3ccc(F)cc3)C2)c1 375024359 WWQPKTUUGBDAEU-HXUWFJFHSA-N 354.381 2.391 30 50 FEEA N#Cc1ccc(O[C@H]2COCC[C@@H]2NC(=O)c2cnc(O)c(Cl)c2)cc1 1565514831 LCMXJFYTEJSXAL-HOTGVXAUSA-N 373.796 2.279 30 50 FEEA N#Cc1ccccc1OCc1nnc([C@H]2OCC[C@H]2Cn2cccn2)o1 886096799 PZWKLFLXEROJAE-YOEHRIQHSA-N 351.366 2.495 30 50 FEEA CO[C@@H]1C[C@@H](c2ncn[nH]2)N(Cc2ccc(C#N)cc2Br)C1 284519104 FQFLDGMXBGZHAK-OCCSQVGLSA-N 362.231 2.401 30 50 FEEA COc1ccc(-c2noc(CNC(=O)N3CCC[C@H](C#N)C3)n2)cc1OC 426589208 ZZVNQILBKARBTK-GFCCVEGCSA-N 371.397 2.199 30 50 FEEA C=CCN1CC[C@@]2(CCC1=O)CN(c1ncnc3sccc13)CCN2C 92037825 NSRCILWOGHZJAK-IBGZPJMESA-N 371.510 2.380 30 50 FEEA CC(C)(O)C#Cc1ccc(C(=O)N2CCC[C@@]3(CCc4c[nH]nc43)C2)o1 1775981738 NXEHWPNMPCNHMW-HXUWFJFHSA-N 353.422 2.245 30 50 FEEA CC1(C)Cc2c(cnn2-c2ccccn2)CN(C(=O)[C@@H](N)CCCC#N)C1 952894214 NBFOWPPAZACOCK-INIZCTEOSA-N 366.469 2.199 30 50 FEEA C#CCCC1(CCC(=O)N2CCN(Cc3c(C)nn(C)c3C)CC2)N=N1 952882587 SRLIVSYFOPCYDC-UHFFFAOYSA-N 356.474 2.037 30 50 FEEA C#CCCC1(CCNC(=O)CS(=O)(=O)c2ccccc2Cl)N=N1 1875368770 OXKOJDHECRKWCW-UHFFFAOYSA-N 353.831 2.196 30 50 FEEA CC(=O)NCc1cc(O[C@@H]2CCN(Cc3cc(C#N)cs3)C2)ccn1 886072146 WJPWLUCHLWHUGX-QGZVFWFLSA-N 356.451 2.304 30 50 FEEA CCCCn1c(N/N=C/C=C/c2ccccc2)nc2c1c(=O)[nH]c(=O)n2C 27473809 LHZKIAGLTAALJA-JOESBUEISA-N 366.425 2.335 30 50 FEEA biogenic CCN(Cc1noc(C)n1)[C@@H]1CCCN(/C(O)=N/C[C@@H]2CCCO2)CC1 328622525 BHEXVQKLTQWHAF-CVEARBPZSA-N 365.478 2.147 30 50 FEEA CCCS(=O)(=O)N1CCCC[C@@H]1C(O)=Nc1nnc(C)n1C1CC1 329076773 PWLUPMRNTHWFBY-CYBMUJFWSA-N 355.464 2.104 30 50 FEEA CCOC(=O)N1CCN([C@H]2CCCN(c3nc(C)ccc3C#N)C2)CC1 72121763 CYRNGHCEVQDBQQ-KRWDZBQOSA-N 357.458 2.005 30 50 FEEA CC(C)(O)C#Cc1ccc(CN2CCCN(c3ncccn3)CC2)s1 215995197 YGNYDQKVMPTQSR-UHFFFAOYSA-N 356.495 2.373 30 50 FEEA C[C@@H](N)[C@H]1CCCN(S(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)C1 237328581 ZDQIOAVQOFWYCB-PWSUYJOCSA-N 361.389 2.325 30 50 FEEA COCCN1C[C@]2(CCCN(C(=O)Nc3cccc(C#N)c3)C2)CCC1=O 91319796 UYPPCIBHRASTEB-FQEVSTJZSA-N 370.453 2.441 30 50 FEEA N#Cc1ccc(N2CCN(C(=O)NCC[C@H]3CCCCO3)CC2)c(F)c1 181849410 BUVPVIQLPWCKTR-MRXNPFEDSA-N 360.433 2.488 30 50 FEEA CCOc1cc(/C=N/N2C(=O)[C@@H]3[C@H]4C=C[C@@H]([C@@H]5C[C@@H]45)[C@H]3C2=O)ccc1O 252428757 YTDUBYPQQWZWGR-SSIQAXOJSA-N 352.390 2.178 30 50 FEEA Oc1cccc(/C=N/N=C(/c2ccccc2)C23CN4CN(CN(C4)C2)C3)c1 19321333 HLPOBPAAAWRLQO-NJMQAVEDSA-N 361.449 2.021 30 50 FEEA C=CCC1(C(=O)N[C@H](C)CC(=O)NC)CCN(C(=O)OC(C)(C)C)CC1 1875278661 SBJUDQGWTGRCOS-CQSZACIVSA-N 367.490 2.221 30 50 FEEA C[C@H](O[C@H]1CCC[C@@H](C)C1)C(=O)NS(=O)(=O)Cc1cccc(C#N)c1 116595090 ZUJOVQNELHMQSL-KEYYUXOJSA-N 364.467 2.488 30 50 FEEA CCn1c([C@@H]2CCCN(Cc3ccc(C#CC(C)(C)O)cc3)C2)n[nH]c1=O 67673691 NLNFIFBNTVIPIB-GOSISDBHSA-N 368.481 2.093 30 50 FEEA O=S(=O)(C1CC1)N1CCC(/N=C(/O)Cc2ccc3c[nH]nc3c2)CC1 329411347 APIXKOHTYDPPCH-UHFFFAOYSA-N 362.455 2.019 30 50 FEEA Cc1c(CN2C[C@@H]3CC[C@H](C2)N(Cc2ccccn2)C3=O)cc(C#N)n1C 91425786 XDVJOURQMRBZOZ-QFBILLFUSA-N 363.465 2.223 30 50 FEEA C#CCCC1(CCNC(=O)CCNC(=O)c2cc3ccccc3[nH]2)N=N1 2325891499 LDRDZUSBCPWKLE-UHFFFAOYSA-N 351.410 2.370 30 50 FEEA COc1cc(CN2CCC[C@](C)(C#N)C2)cc(Cl)c1OCC(N)=O 612406985 YJARZSFQNPGBCF-QGZVFWFLSA-N 351.834 2.338 30 50 FEEA C=C1[C@H]2C[C@]3([C@@H]1O)[C@H]1C[C@H]4[C@@]5([C@@H]6CC[C@@]4(C)[C@H](O6)N(CC)[C@H]15)[C@@H]3CC2=O 409444204 YSSPOBAEOOLGAT-LDYXJQFVSA-N 355.478 2.364 30 50 FEEA biogenic CS(=O)(=O)N(C1CCC1)[C@H]1CCCN(C[C@H](C#N)CCC#N)CC1 328621641 AODXYELTUSVAGE-RDJZCZTQSA-N 352.504 2.099 30 50 FEEA CN1C(=O)CC[C@H](/C(O)=N/[C@@H]2CCCS(=O)(=O)C2)[C@@H]1c1ccccc1 329694927 CVUCCXBGROZZLJ-VYDXJSESSA-N 364.467 2.130 30 50 FEEA COC(=O)c1nc(N)sc1-c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 170004691 WGLUODMAWXCLAQ-UHFFFAOYSA-N 360.244 2.478 30 50 FEEA CN(C[C@@H]1C[C@H](F)CN1Cc1cccs1)/C(O)=N/CCn1ccnc1 328622055 AXXGFIVKUZUTOE-GJZGRUSLSA-N 365.478 2.403 30 50 FEEA N#Cc1ccc(NCc2cc3n(n2)CCCN(C(=O)C2CCC2)C3)nc1 82139258 VWHDKTMPQUVALC-UHFFFAOYSA-N 350.426 2.294 30 50 FEEA CN(C[C@@H]1CCc2nc(C(F)(F)F)cn2C1)C(=O)c1c[nH]c(C#N)c1 328616110 BJGKBQMHOIJRAJ-JTQLQIEISA-N 351.332 2.436 30 50 FEEA N#CC1(c2ccc(C(=O)N[C@@H]3C[C@@H](Cn4ccnc4)C[C@H]3O)cc2)CC1 1875403052 OYWGYOJAGDZTEM-ZTFGCOKTSA-N 350.422 2.008 30 50 FEEA Oc1ccc(O)c2c1[C@H](O)[C@@H]1O[C@H]1[C@]21Oc2cccc3c(O)ccc(c23)O1 2332919363 WPTGKUTUOFNZAS-HAGHYFMRSA-N 366.325 2.395 30 50 FEEA CN(C)S(=O)(=O)N(CC(=O)Nc1ccc(CC#N)cc1)c1ccccc1 4832429 DWMHDYPSCBWGAE-UHFFFAOYSA-N 372.450 2.004 30 50 FEEA CCc1cc(C#N)ccc1NC(=O)c1cccc(CN2CCNC(=O)C2)c1 67947816 DINOZYRMXJICRN-UHFFFAOYSA-N 362.433 2.305 30 50 FEEA C=C(C)CN(CC)[C@@H]1CCc2c(c(C(=O)N3CCSCC3)nn2C)C1 14755478 LJWZWCHUPTYBKU-OAHLLOKOSA-N 362.543 2.364 30 50 FEEA CCn1nncc1C(=O)N1CCC[C@@H](C(O)=Nc2ccc(Cl)cn2)C1 328769887 QVOSOQJLZYERIV-LLVKDONJSA-N 362.821 2.487 30 50 FEEA COc1ccc(OC)c([C@H]2C(C(C)=O)=C(O)C(=O)N2C[C@@H]2CCCO2)c1 860922 RQOXTQMRPISMPA-GUYCJALGSA-N 361.394 2.167 30 50 FEEA C=CCOc1cccc(-c2nn3c(CN4CCOCC4)nnc3s2)c1 57524402 LLZWREJLYOAHLQ-UHFFFAOYSA-N 357.439 2.250 30 50 FEEA CC(C)N1CCC(N2CCN(CC#Cc3ccccc3)C[C@H]2CCO)CC1 104845795 VTBUZSCBFDQFAL-HSZRJFAPSA-N 369.553 2.280 30 50 FEEA C=CCc1ccc(OC[C@H](O)CN2C(=O)[C@@H]3CC=CC[C@H]3C2=O)c(OC)c1 247917287 MWXOMWPIJCKDRI-BRWVUGGUSA-N 371.433 2.115 30 50 FEEA Cn1nc(-c2cccnc2)c2c1NC(=O)C[C@@H]2c1cc(C#CCO)cs1 65528203 OMXXKNYHJMJDLH-CQSZACIVSA-N 364.430 2.362 30 50 FEEA O=C(c1ccccc1)N1[C@H](/C(O)=N/CCn2ncnn2)C[C@@H]2CCCC[C@H]21 329926634 KWEOSIHSPZMRIX-BBWFWOEESA-N 368.441 2.103 30 50 FEEA C[C@@H]1CN(c2ccccc2C#N)C(=O)CN1Cc1ccccc1OCCO 82087628 KDVZXKJGUSROEQ-MRXNPFEDSA-N 365.433 2.167 30 50 FEEA O=C1[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C[C@H]34)[C@H]2C(=O)N1N=Cc1ccc(Br)o1 245226784 KWYWMVFAEKHVOI-LRYQHZMXSA-N 361.195 2.429 30 50 FEEA CC#CCN1C(=O)N[C@](CCCc2ccccc2)(C2CCNCC2)C1=O 299755773 DIYQIPSGHJHBLO-OAQYLSRUSA-N 353.466 2.323 30 50 FEEA Cn1cc(C#N)cc1C(=O)N1CC[C@@]2(CCCN(CC3CCC3)C2=O)C1 91548425 SUMBJGHPUHSCNE-FQEVSTJZSA-N 354.454 2.152 30 50 FEEA C=CCn1nc(C(=O)N(C)C)c2c1CC[C@@H](NCc1cccc(OC)c1)C2 19867983 UNHRJGQWWLMNAZ-MRXNPFEDSA-N 368.481 2.427 30 50 FEEA Cn1nc(CC/N=C(/O)N2CC(/N=C(/O)C3CCC3)C2)c2ccccc21 330173129 HBJYAJLBWPLARG-UHFFFAOYSA-N 355.442 2.471 30 50 FEEA N#Cc1ccc(CS(=O)(=O)CC(=O)N[C@@H]2C[C@H]3C[C@H]2[C@H]2CCC[C@H]23)cc1 247656078 PHFLLIBTCDYGSH-HVMFNXBNSA-N 372.490 2.414 30 50 FEEA C=CCSc1nc2c(c(=O)[nH]c(=O)n2C)n1Cc1ccc(Cl)cc1 2250744 UVOIHYZRARHSQY-UHFFFAOYSA-N 362.842 2.403 30 50 FEEA COc1ccc(/C=N/NC(N)=S)cc1Cn1nc(C)c(Cl)c1C 20606836 PKSKFQFRVLQRDZ-CNHKJKLMSA-N 351.863 2.377 30 50 FEEA CN1CCN(Cc2ccc(C#N)cc2)C[C@@]12CCC(=O)N(CC1CC1)CC2 95387571 MAFWGNIMEYLDHG-QFIPXVFZSA-N 366.509 2.467 30 50 FEEA C=C(C)C[C@@H]1N(Cc2ccc(OC)cc2)C(=O)[C@@H]2[C@H](C(=O)O)[C@H]3C=C[C@@]12O3 245254873 CYOKHXZXJDYXLW-OHHNFCFSSA-N 369.417 2.397 30 50 FEEA COc1ccc2oc(N3CCC[C@@H](CC(=O)N4CC(C#N)C4)C3)nc2c1 1857727757 ZKGCFQICCGRUHF-ZDUSSCGKSA-N 354.410 2.425 30 50 FEEA Cn1cc(C#N)cc1C(=O)N1CCOC[C@H]1c1nc(-c2cccs2)no1 367017742 SAEMSUBTKBBIBI-ZDUSSCGKSA-N 369.406 2.222 30 50 FEEA N#Cc1cccnc1N1CCC(NC(=O)[C@@H]2COc3ccccc3C2)CC1 91326035 CPNZNVGRBOCOEW-KRWDZBQOSA-N 362.433 2.290 30 50 FEEA C[C@@H]1C[C@H](/N=C(/O)c2c[nH]nc2[C@@H]2CCOC2)C(=O)N1c1ccccc1 330319642 DIYWCYLONFNGNJ-IOASZLSFSA-N 354.410 2.412 30 50 FEEA C[C@@H]1COC[C@@](CO)(CNc2cccc(CC#N)n2)N1Cc1ccccc1 1875392581 JBYHICYUMUYTJP-UTKZUKDTSA-N 366.465 2.212 30 50 FEEA C=CCNC(=O)C1CCN(S(=O)(=O)c2cc(Cl)ccc2OC)CC1 6702304 ZFOHEWQNPAOPHI-UHFFFAOYSA-N 372.874 2.052 30 50 FEEA Cc1nnc(-c2cccc(C#N)c2)n1[C@H]1CCCN(c2cnn(C)c2)C1=O 174168152 BDSMNDXSNMYUKV-KRWDZBQOSA-N 361.409 2.227 30 50 FEEA COc1ccc2c(c1)CC/C(=C\Nc1ccc(S(N)(=O)=O)cc1)C2=O 84145312 BZYWNCUEDBKXSD-ACCUITESSA-N 358.419 2.468 30 50 FEEA O=C1CC[C@H]([C@H]2CCC/C2=N\Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])[C@H]1O 4795253 WNGQDXDLPCVOHD-XWOCEQEUSA-N 362.342 2.411 30 50 FEEA COC(=O)c1cc(NC(=O)c2ccc(C#N)c(Cl)n2)cc(C(=O)OC)c1 253630115 HIILGDIHAQOEAW-UHFFFAOYSA-N 373.752 2.432 30 50 FEEA Cc1ncsc1N=C(O)c1ccccc1S(=O)(=O)N1CCOCC1 329966060 VKYDWAJYUGAVQW-UHFFFAOYSA-N 367.452 2.109 30 50 FEEA COc1ccc(S(=O)(=O)N/N=C(/C)c2cccc(O)c2)c(OC)c1 17072686 ZTRLAXRFFSNCQH-BOPFTXTBSA-N 350.396 2.112 30 50 FEEA C#CCCC1(CCC(=O)Nc2ccc([C@H]3CC(=O)NC(=O)N3)cc2)N=N1 1875369056 WXKHQSAWWUUKSP-CQSZACIVSA-N 353.382 2.251 30 50 FEEA C=CCn1nc(C(=O)O)c2c1CC[C@H](NCc1ccc3c(c1)OCO3)C2 67885492 HGPZSTWPEFDOJW-ZDUSSCGKSA-N 355.394 2.143 30 50 FEEA C=CCn1c(S)nnc1[C@@H]1CCCN(S(=O)(=O)c2ccccc2)C1 17074974 VMYBEKGRMGFLOS-CYBMUJFWSA-N 364.496 2.321 30 50 FEEA CC(C)Cc1cn(C[C@H]2CCCN(C(=O)C3=CC(=O)CC(C)(C)O3)C2)nn1 48235881 SRYMCTNKJOPKOD-HNNXBMFYSA-N 374.485 2.367 30 50 FEEA CCc1nnc(N[C@@H]2CCCN(c3nccnc3O)C2)c(C#N)c1CC 275669902 VNXWXXPISREEHC-GFCCVEGCSA-N 353.430 2.050 30 50 FEEA C=C(C)COc1cccc(C(=O)N2CCC3(CC2)CN(C)CCN3C)c1 67821864 CNWGWVQJQSEFRV-UHFFFAOYSA-N 357.498 2.494 30 50 FEEA CC(C)(O)C#Cc1cccc(C(=O)N2CCC3(CC2)C[C@](C)(O)CCO3)c1 1704359650 XNFYSOLOUUVKQD-OAQYLSRUSA-N 371.477 2.345 30 50 FEEA C=CCCN1C(=O)[C@@H](CC(=O)NC2CC2)S/C1=N\CCc1ccccn1 853234593 UCGWEVYXYHIMKU-BSBNDGSWSA-N 372.494 2.169 30 50 FEEA N#Cc1cncc(N2CCC[C@]3(CCCC[C@@H]3NC(=O)[C@H]3C[C@@H]3F)C2)n1 1875408509 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374.824 2.388 30 50 FEEA C#CCN1C(=O)[C@](O)(CC(=O)c2cccc([N+](=O)[O-])c2)c2ccccc21 1165776 YYOJYKBRNPLZFP-IBGZPJMESA-N 350.330 2.035 30 50 FEEA C=C(C)C[C@@H]1N(c2cccc(OC)c2)C(=O)[C@H]2[C@H](C(=O)O)[C@H]3C=C[C@]21O3 2218247 NAMJXTOLLRLBNM-QRXRQMIZSA-N 355.390 2.401 30 50 FEEA COc1cccc(CCC(=O)N2CCN(c3ccc(C#N)cc3)C(=O)C2)c1 82138474 HDBDTYIWGJPMOK-UHFFFAOYSA-N 363.417 2.375 30 50 FEEA C=CCN1CC2(CCC1=O)CCN(S(=O)(=O)c1ccc(F)cc1)CC2 91595653 FVMDTSGYXHVBOK-UHFFFAOYSA-N 366.458 2.405 30 50 FEEA O=C1[C@H]2[C@H]3C=C[C@@H]([C@H]4C[C@H]43)[C@H]2C(=O)N1N=Cc1ccc(Br)o1 245226783 KWYWMVFAEKHVOI-GCDYTGCUSA-N 361.195 2.429 30 50 FEEA C=CCn1nc(C(=O)N(C)C)c2c1CC[C@H](NCc1cccc(OC)c1)C2 19867988 UNHRJGQWWLMNAZ-INIZCTEOSA-N 368.481 2.427 30 50 FEEA N#CCSc1n[nH]c(N/N=C/c2cc(Br)ccc2O)n1 20435670 MIEJCVDCTNJTGM-MKMNVTDBSA-N 353.205 2.334 30 50 FEEA CCNS(=O)(=O)c1ccc(C)c(C(=O)N2CCCC(C)(C)[C@H]2C#N)c1 277436545 FAELHBYAUPOKRU-MRXNPFEDSA-N 363.483 2.448 30 50 FEEA COc1ccccc1C/N=C(/S)Nc1ccc(S(N)(=O)=O)cc1 987560 QRKNYINSBXBIGH-UHFFFAOYSA-N 351.453 2.241 30 50 FEEA COc1ccc(C/N=C(\S)Nc2ccc(S(N)(=O)=O)cc2)cc1 13496801 JOXPLGCRWZUYSK-UHFFFAOYSA-N 351.453 2.241 30 50 FEEA C[C@]12[C@H]3C=C[C@@H]([C@@H]1[C@@]14CCCC[C@]12O4)n1c(=O)n(-c2ccccc2)c(=O)n13 104301989 ICMDFULXSWOZPR-PXUMCECISA-N 363.417 2.184 30 50 FEEA Cc1nc(CN2C[C@@H](F)C[C@H]2CNC(=O)c2ccc(C#N)cn2)cs1 328636932 OJPXCTJVGCXUQH-ZFWWWQNUSA-N 359.430 2.061 30 50 FEEA CN(CC(=O)N[C@@H]1COCC[C@H]1Oc1ccc(C#N)cc1)C1CCCC1 219770728 HOBBLRXKYAUQQP-RTBURBONSA-N 357.454 2.085 30 50 FEEA C[C@]12CCC[C@]3(CO3)[C@@H]1C[C@H]1[C@@H](C2)OC(=O)[C@H]1CN1CCCC[C@H]1CO 252695146 VQSWXEJDECKEJC-QPZSCLIPSA-N 363.498 2.360 30 50 FEEA biogenic Cc1noc([C@@H](NC(=O)C2CCN(c3ccc(C#N)cn3)CC2)C(C)C)n1 1875257762 RAOXYRCYNLQCHP-KRWDZBQOSA-N 368.441 2.375 30 50 FEEA Cn1c(CN2CCCCC2)nnc1[C@H]1CCCN(c2ncccc2C#N)C1 72470766 ZBDDRDCLJSLLIC-KRWDZBQOSA-N 365.485 2.452 30 50 FEEA Cc1ccc(N/N=C2\C(=O)N(CN3CCOCC3)c3ccccc32)cc1 100486459 XTDPXPKJEZLNQO-QOCHGBHMSA-N 350.422 2.448 30 50 FEEA N#Cc1c[nH]c(C(=O)N2CCC[C@@]3(CCc4c(O)nc(C5CC5)nc43)C2)c1 1857710633 IAHMJPDTBCAGBC-HXUWFJFHSA-N 363.421 2.380 30 50 FEEA CCCc1cc(N2CCN(CC#N)CC2)n2nc3nc(C)cc(C)c3c2n1 20566249 AGTCPBVTUCIUNG-UHFFFAOYSA-N 363.469 2.492 30 50 FEEA N#Cc1cc2c(=O)n(CC3CCN(Cc4ccccc4)CC3)ccc2[nH]c1=O 67655066 RZIZGLOQJPRCKZ-UHFFFAOYSA-N 374.444 2.474 30 50 FEEA C[C@H]1CN(c2ccccc2C#N)C(=O)CN1Cc1ccccc1OCCO 82087629 KDVZXKJGUSROEQ-INIZCTEOSA-N 365.433 2.167 30 50 FEEA CC(=O)Oc1ccccc1C(=O)Oc1ccc(/C=N/n2cnnc2)cc1 1184402 ATPDUAOCUJXURM-UFFVCSGVSA-N 350.334 2.305 30 50 FEEA C#CC(C)(C)C(=O)N[C@H]1CCN(C(=O)c2cncc(NCC)c2)C[C@@H]1C 2325825060 BIYKMTMSLRSXAI-YOEHRIQHSA-N 356.470 2.140 30 50 FEEA Cc1ccc(C#N)c(N2C[C@@H]3CC[C@H](C2)C(=O)N3Cc2cscn2)n1 213007426 JLBSPJJFBNBATB-ZBFHGGJFSA-N 353.451 2.346 30 50 FEEA Cc1ccc2c(C(=O)N3CCN(c4nccnc4C#N)CC3)cc(C)nc2c1 55269519 XJOUBBFGQPAIQJ-UHFFFAOYSA-N 372.432 2.476 30 50 FEEA CCOC(=O)c1c(C)[nH]c(/C=N/O)c1OS(=O)(=O)c1ccc(C)cc1 100208561 SWWPYXQLHQKRIJ-RQZCQDPDSA-N 366.395 2.384 30 50 FEEA C=CCN1C[C@H](C(=O)NCCc2c(C)[nH]c3ccc(C#N)cc23)CC1=O 67673100 RIJBYICUCKFMDW-OAHLLOKOSA-N 350.422 2.041 30 50 FEEA C=CCNC(=O)c1ccccc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1 6192507 FBPLZNGKMGMBMN-UHFFFAOYSA-N 361.379 2.311 30 50 FEEA Cc1ncccc1O[C@@H]1CCN(S(=O)(=O)c2ccc(F)c(C#N)c2)C1 328615852 BCEAXMLEWYZFFX-CQSZACIVSA-N 361.398 2.243 30 50 FEEA C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N1CCN(c2ccccc2C#N)CC1 331861449 KHYQXYIHOFBYTM-HKUYNNGSSA-N 354.454 2.371 30 50 FEEA N#Cc1ccccc1OCc1ccc(C(=O)N2CCC[C@H](OCCO)C2)o1 170681048 AGARZPFIFCYOJY-INIZCTEOSA-N 370.405 2.344 30 50 FEEA CN(C)CCN1C(=O)C(O)=C(C(=O)c2cccs2)[C@@H]1c1ccncc1 19884644 HQPHMPDOVJJLHU-HNNXBMFYSA-N 357.435 2.283 30 50 FEEA COc1ccc(CN[C@@H]2CCCC[C@@H]2Cc2nnc(O)n2C)cc1C#N 888098214 BJGKGGCEWRUCLZ-GDBMZVCRSA-N 355.442 2.292 30 50 FEEA COc1cc2c(cc1OC)[C@@H](NC(=O)C(F)(F)F)/C(=C/N(C)C)C2=O 1407109 OVMXIHPQBIAKRT-PGJNLMOESA-N 358.316 2.065 30 50 FEEA COCCN1C[C@H](c2nc(C3(/N=C(/C)O)CCCCC3)no2)CC1=O 329251166 BGZZPBQLDSRYNR-CYBMUJFWSA-N 350.419 2.168 30 50 FEEA COC(=O)CCC(=O)C1=C(NCCc2nc3ccccc3[nH]2)CCCC1=O 100168099 GIZRZQGBDLMEMA-UHFFFAOYSA-N 369.421 2.224 30 50 FEEA Cc1c(CN2CCCN(C(=O)c3ncc(F)cc3F)CC2)cc(C#N)n1C 1800410056 NUQYLMBGBKLAGG-UHFFFAOYSA-N 373.407 2.227 30 50 FEEA N#Cc1cccc(C(=O)N2CC[C@H](O)[C@@](CO)(Cc3ccc(F)cc3)C2)c1 1857710152 JUWRWLHZFNFIGO-FPOVZHCZSA-N 368.408 2.126 30 50 FEEA CC(C)/N=C(/O)c1cnn2c1C[C@H](CNC(=O)c1ccc(C#N)cc1)CC2 328607305 VIISGNFWMNNLPX-OAHLLOKOSA-N 365.437 2.460 30 50 FEEA Cc1cc(N2CC[C@H](c3cc(O)nc(N4CCCC4)n3)C2)c(C#N)cn1 864311144 DPFWUDYXVWJXLO-AWEZNQCLSA-N 350.426 2.351 30 50 FEEA O=C(O)c1ccccc1N[C@H]1C=CC(=O)[C@@H]1Nc1ccccc1C(=O)O 4663741 VUEWEFGPBIWPIJ-DOTOQJQBSA-N 352.346 2.483 30 50 FEEA O=C1Oc2ccccc2C(=O)/C1=C\Nc1ccc(CCc2nn[nH]n2)cc1 828327463 SZPFKXXTOHVGLH-RVDMUPIBSA-N 361.361 2.083 30 50 FEEA OC(=Nc1ccccn1)N1CCO[C@@H](c2ccnc(N3CCCC3)n2)C1 328615896 BDJXBVODMULPGR-OAHLLOKOSA-N 354.414 2.091 30 50 FEEA C#CCCC1(CCC(=O)Nc2ccc([C@@H]3CC(=O)NC(=O)N3)cc2)N=N1 1875369055 WXKHQSAWWUUKSP-AWEZNQCLSA-N 353.382 2.251 30 50 FEEA C=CCOc1ccc(/C=C2/SC(N3CCN(C(C)=O)CC3)=NC2=O)cc1 4573118 YBXIVXDUHSYKNC-GHRIWEEISA-N 371.462 2.386 30 50 FEEA N#Cc1ccsc1NC(=O)c1ccc(CN2CCC[C@@H]2C(N)=O)cc1 65426726 IGHAQTYBQXGVRI-OAHLLOKOSA-N 354.435 2.322 30 50 FEEA N=C(O)N1CCC[C@H]1/C(O)=N/[C@@H]1CC(=O)N([C@@H]2C[C@@H]2c2ccccc2)C1 330008903 FVTKQJQJNSGTFB-LVQVYYBASA-N 356.426 2.057 30 50 FEEA C#CCOc1cc(C(=O)NC[C@@H]2CC(=O)N(C3CCCC3)C2)ccc1OC 670466591 UELKMEZCONUYDX-HNNXBMFYSA-N 370.449 2.228 30 50 FEEA C=CCn1nc(C(=O)N2CCCC2)c2c1CC[C@@H](NCCCOCC)C2 14537071 NCRRNCGVKBHLPQ-MRXNPFEDSA-N 360.502 2.179 30 50 FEEA C=CCS(=O)(=O)N1CCC[C@](Cc2ccccc2)(C(=O)OCC)C1 15063655 GOXFFKXQLCERMQ-GOSISDBHSA-N 351.468 2.390 30 50 FEEA Cn1ccnc1N1CCC(/N=C(/O)CN2C(=O)CCc3ccccc32)CC1 328739669 IAZJDSUYCLSQET-UHFFFAOYSA-N 367.453 2.325 30 50 FEEA Cn1c(CN2CCCCC2)nnc1[C@@H]1CCCN(c2cc(C#N)ccn2)C1 72439627 FOWSKNFYGFTVGD-QGZVFWFLSA-N 365.485 2.452 30 50 FEEA C[C@H](C(=O)Nc1c(F)cc(C#N)cc1F)N1C(=O)c2ccccc2C1=O 225696633 BJLHPKRBDRWLKA-SECBINFHSA-N 355.300 2.460 30 50 FEEA C/C(O)=N/[C@]1(c2noc(C)n2)CCN(c2cc(NCC3CC3)ncn2)C1 328608952 BTUVFGSXKKLVFJ-QGZVFWFLSA-N 357.418 2.072 30 50 FEEA O=[S@@+]1(O)C[C@@H]2[C@H](C1)NC(=S)N2c1ccc(Br)cc1F 334158074 NCGLRVPAERTNRL-WCBMZHEXSA-P 366.257 2.006 30 50 FEEA Cc1nnc(-c2ccccc2C(=O)N2CCN(c3ccc(C#N)nc3)CC2)o1 170618690 OLMVPBTUCYMIHO-UHFFFAOYSA-N 374.404 2.274 30 50 FEEA C=CCN(Cc1ccc2cc(NC(C)=O)ccc2n1)[C@H]1CCS(=O)(=O)C1 1506399542 HFCDAOKFVCBFIB-SFHVURJKSA-N 373.478 2.368 30 50 FEEA COCc1ccc(C(=O)NC[C@@H]2CCn3ncc(/C(O)=N/C(C)C)c3C2)o1 328603789 HFSOOGVMAFHJPK-CYBMUJFWSA-N 374.441 2.328 30 50 FEEA N#Cc1cccc(N2CCN(CCCc3ccccc3)[C@H](CCO)C2)n1 106963944 MJRKZSAJTUKJSH-HXUWFJFHSA-N 350.466 2.459 30 50 FEEA OC1=N[C@]2(CCC[C@H]2C/N=C(/O)Cn2ccc(C(F)(F)F)n2)C(O)=N1 329296081 SSGZKIMHWFEXJX-SDBXPKJASA-N 359.308 2.281 30 50 FEEA Cc1ccccc1[C@@H]1[C@@H](C(=O)N2CCC(C)(C#N)CC2)OCC(=O)N1C 1529114988 WVOGOQVFZQJWPP-MSOLQXFVSA-N 355.438 2.046 30 50 FEEA C[C@H]1C[C@@H]1C(=O)N[C@@H]1C[C@@H](Nc2ncc(C#N)cc2F)C12CCOCC2 1875407929 KIABDTKWXILIFP-DDUYRFODSA-N 358.417 2.214 30 50 FEEA COc1ccc([C@@H]2c3c(-c4ccccc4)nc(N)n3NC(=O)[C@@H]2C#N)cc1 409417351 DYXUCRNHNCKTGL-CVEARBPZSA-N 359.389 2.496 30 50 FEEA COc1cc2c(cc1OC)[C@H](NC(=O)C(F)(F)F)/C(=C/N(C)C)C2=O 1407106 OVMXIHPQBIAKRT-SZNGSJQDSA-N 358.316 2.065 30 50 FEEA O/C(=N/CCc1cnc(C2CC2)nc1)N1CCC(O)(C(F)(F)F)CC1 329346024 CBQRNHJXYDNCEP-UHFFFAOYSA-N 358.364 2.200 30 50 FEEA COc1cc(C#N)ccc1OCC(=O)N1[C@H](C(=O)O)C[C@H]2CCCC[C@H]21 263727628 PAAXHLQUTWDZKX-KFWWJZLASA-N 358.394 2.190 30 50 FEEA N#Cc1cccc(C2(C(=O)N[C@H]3C[C@@H](Cn4ccnc4)C[C@@H]3O)CCC2)c1 1857527106 WFBNRCBLLWWDIB-NEWSRXKRSA-N 364.449 2.132 30 50 FEEA Cc1cc(N2CC[C@@H](c3cc(O)nc(N4CCCC4)n3)C2)c(C#N)cn1 864311146 DPFWUDYXVWJXLO-CQSZACIVSA-N 350.426 2.351 30 50 FEEA Cn1c(C#N)ccc1C(=O)N1C[C@H](c2n[nH]c(C3CC3)n2)[C@@H](C2CC2)C1 952848779 UKXAYKWAAPGUGS-CABCVRRESA-N 350.426 2.158 30 50 FEEA C#CCCC1(CCNC(=O)c2cnn3c(-c4cccnc4)ccnc23)N=N1 2325891642 SRXFRIBWNMNVNS-UHFFFAOYSA-N 359.393 2.487 30 50 FEEA CC1(C)CC(O)(C#CC#CC2(O)CC(C)(C)NC(C)(C)C2)CC(C)(C)N1 2491625 WLRCTITZCCZDJJ-UHFFFAOYSA-N 360.542 2.337 30 50 FEEA CCc1cccc(NC(=O)CCC(=O)N2CCCn3nc(C#N)cc3C2)c1 55211680 VPFGDCOXCHWWGQ-UHFFFAOYSA-N 365.437 2.468 30 50 FEEA COc1nccc(N2CC[C@H](C3CCN(c4ncccn4)CC3)C2)c1C#N 72147568 ABRJADDQVHTFRE-INIZCTEOSA-N 364.453 2.495 30 50 FEEA COc1ccc(/C=N/N2C(=O)[C@@H]3[C@H]4C=C[C@@H]([C@@H]5C[C@@H]45)[C@H]3C2=O)cc1OC 252428709 WMVSNTSUKSHDGJ-SSIQAXOJSA-N 352.390 2.091 30 50 FEEA N#Cc1cn(CC(F)(F)F)nc1NS(=O)(=O)c1ccc2c(c1)OCC2 1875291458 ZYAIEASSVNPTTD-UHFFFAOYSA-N 372.328 2.053 30 50 FEEA CCN1CCN(CC)CCN(c2nc3cc(Cl)ccn3c2C#N)CC1 2325764714 BGLMOZMQVFKLKW-UHFFFAOYSA-N 360.893 2.323 30 50 FEEA Cn1c(CN2CCCC2)nnc1[C@@H]1CCCN(c2ccc(C#N)cn2)C1 77322306 ARQVHMHNYYSETR-MRXNPFEDSA-N 351.458 2.062 30 50 FEEA CCC#CCN1CCC(N2CCC[C@@H](C(=O)NCc3ccccn3)C2)CC1 82138588 OPXQRSRRVCHXEX-LJQANCHMSA-N 368.525 2.288 30 50 FEEA COCCN1C[C@@]2(CCCN(C(=O)Nc3cccc(C#N)c3)C2)CCC1=O 91319794 UYPPCIBHRASTEB-HXUWFJFHSA-N 370.453 2.441 30 50 FEEA C#CCCC1(CCC(=O)N[C@@H](Cc2ccc(Cl)nc2)C(=O)OC)N=N1 2325892751 AIDDJDWWYKKBNE-ZDUSSCGKSA-N 362.817 2.291 30 50 FEEA CCn1cc([C@@H]2OCCC[C@H]2CNC(=O)c2cc(C)c(C#N)cn2)cn1 888076713 MDTFYRWCEUEQND-KBXCAEBGSA-N 353.426 2.376 30 50 FEEA N#C[C@@]1(C(=O)N2Cc3cc(Cl)ccc3C[C@H]2C(=O)O)CC12CCOCC2 2325870586 FXHDMDIYGOKATI-HNAYVOBHSA-N 374.824 2.388 30 50 FEEA C=C(C)C(=O)Nc1ccc2c(c1)OCCOCCOCCOCCO2 3896124 GUVWVPYZZWNJKF-UHFFFAOYSA-N 351.399 2.022 30 50 FEEA N#Cc1cc2c(=O)n(Cc3csc(N4CCCC4)n3)ccc2nc1O 67894430 HPPMLPDLXNKGAT-UHFFFAOYSA-N 353.407 2.079 30 50 FEEA Cn1ccnc1[C@@H](O)C1CCN(C(=O)CCc2ccc(C#N)cc2)CC1 124543017 AOCXLQFOXHETIJ-IBGZPJMESA-N 352.438 2.197 30 50 FEEA C=CCn1c(SCc2csc(NC)n2)nnc1C1CCNCC1 426635738 YJGSWAPARPDKSR-UHFFFAOYSA-N 350.517 2.722 30 50 FEEA C=CCNc1nc2ccccn2c(=O)c1/C=C1\SC(=S)N(C)C1=O 2975612 PMXBVWFNKSGTAC-LUAWRHEFSA-N 358.448 2.123 30 50 FEEA C=C(C)COc1ccccc1C(=O)N1CCN(C(=O)[C@@H]2CCCO2)CC1 55199216 WWYYNKPJWXXCIQ-SFHVURJKSA-N 358.438 2.105 30 50 FEEA N#Cc1cccc(N2CCC(N3CCC[C@H](C(=O)N4CCCC4)C3)CC2)n1 71730319 AEWFCGGPMNVFHT-KRWDZBQOSA-N 367.497 2.256 30 50 FEEA CC(=O)N1CCCN(C[C@H]2CCCN(c3nc(C)ccc3C#N)C2)CC1 450772317 KWKDGJPNQIZGGQ-GOSISDBHSA-N 355.486 2.032 30 50 FEEA CC[C@@H](C(=O)N1CCCN(Cc2ccccc2C#N)CC1)n1cccn1 1529172541 NWJJVQKLSYYYSX-IBGZPJMESA-N 351.454 2.440 30 50 FEEA C=C(C)CNCc1ccc(OC[C@H](O)CN2CCSCC2)c(OC)c1 14979911 UKPPGXQDOWGLKD-QGZVFWFLSA-N 366.527 2.149 30 50 FEEA COc1ccc(C(=O)C2=C(O)C(=O)N(CC(=O)O)[C@@H]2c2ccccc2)cc1 17249585 SLSADYNITBXPOO-QGZVFWFLSA-N 367.357 2.358 30 50 FEEA CCN1C(=O)C[C@@H](CNc2nc(C)cc(C)c2C#N)[C@@H]1c1nccn1C 886031144 VUSIANJSXHMBNB-WMLDXEAASA-N 352.442 2.325 30 50 FEEA C#CCCC1(CCNC(=O)[C@@H]2CC(=O)N(Cc3c(F)cccc3F)C2)N=N1 2325891427 GDWQCMYPCHKCLY-CYBMUJFWSA-N 374.391 2.395 30 50 FEEA C=CCn1c(N)cc(=O)nc1SCC(=O)Nc1ccc(Cl)cc1 798402 LYKWUJBHVAGTSQ-UHFFFAOYSA-N 350.831 2.396 30 50 FEEA COc1ccc(/C=N/n2c(S)nnc2C(F)F)cc1COC(C)=O 2793107 LNFWVGLDFZDPNJ-UBKPWBPPSA-N 356.354 2.458 30 50 FEEA COc1ccccc1-n1cc(-c2c(C#N)c(N)nc3c2C[C@@H](N)CC3)cn1 71762918 MLUQIPDQNBYQAC-ZDUSSCGKSA-N 360.421 2.213 30 50 FEEA CCOc1ccc(NC(=O)N2CCC[C@H](CS(C)(=O)=O)C2)cc1C#N 97797214 IGYZGJXVQDAYHD-ZDUSSCGKSA-N 365.455 2.245 30 50 FEEA CCO[C@H]1CN(C)C[C@@H]1NC(=O)c1cccc(-c2ccc(C#N)nc2)c1 534648567 VORJETASYKYQOC-OALUTQOASA-N 350.422 2.069 30 50 FEEA C#CCOC(=O)CSC(=N)/N=c1\sc2ccccc2n1CCS 5345086 ILYIGHMGVYXMEL-SGSZEMHKSA-N 365.505 2.378 30 50 FEEA C#CCCC1(CCC(=O)NCc2ccc(N3CCN(CC)CC3)nc2)N=N1 2325892196 DOUSNJPEERUHMT-UHFFFAOYSA-N 368.485 2.195 30 50 FEEA C=CC[C@@H]1CC=C[C@@H](C)N1C(=O)CSc1nc2nc(C)cc(O)n2n1 55245554 GKDGKRHAIJLQMS-CHWSQXEVSA-N 359.455 2.352 30 50 FEEA C[C@H](N)[C@@H]1CCCCN1S(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1 237458659 NKNMQSSUQGBTIT-HZMBPMFUSA-N 361.389 2.467 30 50 FEEA Cc1cc(=O)c(/C(O)=N/[C@@H]2CCN(C(=O)c3ccccn3)C2)cn1C1CC1 329317242 DCOUSJKHXKRZJW-CQSZACIVSA-N 366.421 2.106 30 50 FEEA C=CCC1(C(=O)N[C@@H](C)CC(=O)NC)CCN(C(=O)OC(C)(C)C)CC1 1875278660 SBJUDQGWTGRCOS-AWEZNQCLSA-N 367.490 2.221 30 50 FEEA CC(C)CN1CCCC[C@H]1CCn1ccc2[nH]c(=O)c(C#N)cc2c1=O 67605134 LMLNCYFVMYXDOF-INIZCTEOSA-N 354.454 2.462 30 50 FEEA COCC(=O)N1CCCN(Cc2ccc(-c3ccccc3C#N)o2)CC1 71754397 HVYXGGSMWVGZDD-UHFFFAOYSA-N 353.422 2.499 30 50 FEEA CC(C)n1cc([C@]2(O)CCCN(c3nc4c(cc3C#N)CCC4)C2)nn1 284417477 CNIBFCGAIBYTTA-IBGZPJMESA-N 352.442 2.102 30 50 FEEA N#Cc1cccnc1N1CCN(C(=O)[C@@H]2CCOc3ccccc3C2)CC1 95512474 VHXAIXDGBADTRI-QGZVFWFLSA-N 362.433 2.243 30 50 FEEA N#Cc1ccccc1S(=O)(=O)N1CCC[C@@]2(CCC(=O)N(C3CC3)C2)C1 91951321 SEGBPAPGUNNCSQ-LJQANCHMSA-N 373.478 2.114 30 50 FEEA C=CCN1CC[C@@]2(CCC1=O)CN(c1cc(C3CC3)ncn1)CCN2C 91440618 PTNDUWGCWARCKS-FQEVSTJZSA-N 355.486 2.043 30 50 FEEA N#Cc1cc2n(n1)CCN(C(=O)[C@@H](c1ccc(F)cc1)N1CCCCC1)C2 952982674 BXZLOCFQKAPYSO-LJQANCHMSA-N 367.428 2.463 30 50 FEEA COc1cc(/C=N/NS(=O)(=O)c2ccc(C)cc2)cc(OC)c1OC 1036331 GQELPZMKUNGLPC-WOJGMQOQSA-N 364.423 2.333 30 50 FEEA C=C(C)C[C@@H]1N(c2cccc(OC)c2)C(=O)[C@@H]2[C@H](C(=O)O)[C@H]3C=C[C@@]12O3 5389819 NAMJXTOLLRLBNM-QOSLBHJFSA-N 355.390 2.401 30 50 FEEA N#Cc1nccnc1N[C@@H]1C[C@@H](Cn2ccnc2-c2ccccc2)C[C@H]1O 1875398643 ZWTWYTTXRKLBDZ-QGPMSJSTSA-N 360.421 2.463 30 50 FEEA C[C@@H]1CN(c2ccccc2C#N)C(=O)CN1C(=O)Cc1ccc(O)c(F)c1 77470736 YKTVUFIOABDSFZ-CYBMUJFWSA-N 367.380 2.209 30 50 FEEA N#CC1(C(=O)N2CC[C@@]3(CCCN(C4CCCCC4)C3=O)C2)CCOCC1 91690572 BPPHRTBFXJADNX-NRFANRHFSA-N 373.497 2.481 30 50 FEEA N#Cc1ccsc1N1CC[C@H](N2CCC[C@@](O)(C(F)(F)F)C2)C1=O 408403619 VWFFWCSHUZDWFF-FZMZJTMJSA-N 359.373 2.114 30 50 FEEA C=CCNC(=O)C1CCN(S(=O)(=O)c2ccc(OCC)c(C)c2)CC1 4488076 KKFJZEJZAWWPOG-UHFFFAOYSA-N 366.483 2.097 30 50 FEEA COCC/N=C(/O)c1c[nH]nc1[C@@H]1CCCN(c2ccc([N+](=O)[O-])cn2)C1 328604807 LCTRHIRRFGXLAJ-GFCCVEGCSA-N 374.401 2.048 30 50 FEEA CCCCCCCn1c(SCC(C)=O)nc2c1c(=O)[nH]c(=O)n2C 8424478 WUQGPSKXENXRQQ-UHFFFAOYSA-N 352.460 2.075 30 50 FEEA CCOC(=O)C1=C(N)OC2=C(C(=O)CCC2)[C@H]1c1ccc([N+](=O)[O-])cc1 1386883 ZTWHJCZGQWRPMB-CQSZACIVSA-N 358.350 2.449 30 50 FEEA CN1CCN(C(O)=Nc2cnc3c(c2)CCCC3)C[C@@H]1c1nccn1C 330339711 WZJCCNWQKASGBF-QGZVFWFLSA-N 354.458 2.228 30 50 FEEA CC(C)(O)C#Cc1cccc(C(=O)NC[C@@H]2CCCN(C(=O)C3CC3)C2)c1 827928456 XPKJOXJTKKKMAX-KRWDZBQOSA-N 368.477 2.187 30 50 FEEA N#Cc1ncn(CC(=O)N2CCC(F)(Cc3ccc(Cl)cc3)CC2)n1 456142382 NGVHYDNRLGHVFG-UHFFFAOYSA-N 361.808 2.377 30 50 FEEA COc1ccc(C/C(N)=N/OC(=O)c2ccccc2[N+](=O)[O-])cc1OC 4866825 XDEYOLMUITUSPB-UHFFFAOYSA-N 359.338 2.284 30 50 FEEA C=CCn1c(-c2ccccc2F)nnc1S(=O)(=O)CCOC(C)C 225684303 MJBBIYMUFLGSRF-UHFFFAOYSA-N 353.419 2.469 30 50 FEEA C=CCN1C[C@@H](C(=O)NCCc2c(C)[nH]c3ccc(C#N)cc23)CC1=O 67673101 RIJBYICUCKFMDW-HNNXBMFYSA-N 350.422 2.041 30 50 FEEA C=CCn1c(-c2cccs2)cn2cc(C(=O)N[C@@H](C)COC)nc2c1=O 72438422 AMYZPGHXWCPKDI-LBPRGKRZSA-N 372.450 2.175 30 50 FEEA C[C@H]1CN(CC(F)(F)F)CCN(S(=O)(=O)CC2(C#N)CCCC2)C1 333755922 YNRJLDGBDYOTRS-ZDUSSCGKSA-N 367.437 2.216 30 50 FEEA N#Cc1ccc(O[C@@H]2COCC[C@H]2NC(=O)c2ncc(F)cc2F)cc1 222500184 DNGZPPIULZEJDX-HZPDHXFCSA-N 359.332 2.198 30 50 FEEA N#Cc1ccccc1OCC(=O)N1CCC[C@H]1Cn1cc(C2CC2)nn1 299745544 QZRAULAEOYDAFI-INIZCTEOSA-N 351.410 2.097 30 50 FEEA CCN(C[C@@H](C)C#N)C(=O)CN1CCC[C@@H]1c1nc2c(n1C)CCCC2 275988324 OQGQCRXPNQZKEH-MAUKXSAKSA-N 357.502 2.444 30 50 FEEA N#Cc1ccccc1S(=O)(=O)N[C@@H]1CCOC[C@H]1OCc1ccccc1 220722448 PSZOAMKPGWQARZ-QZTJIDSGSA-N 372.446 2.211 30 50 FEEA C#CCn1ccc(CN(CC)C(=O)c2ccc(N(C)C(=O)C=C)cc2)n1 1875373805 OZTXWQVXXZCVBH-UHFFFAOYSA-N 350.422 2.327 30 50 FEEA COc1ccc(/C(N)=N/OC(=O)c2ccc(OC(C)=O)cc2)cc1OC 4832864 IGKOVKBLDSXKLW-UHFFFAOYSA-N 358.350 2.106 30 50 FEEA O=C1CN(/C(O)=N/CC2CCN(Cc3ccccc3)CC2)CCN1C1CC1 328651635 BPCVTVAKUNAIBS-UHFFFAOYSA-N 370.497 2.119 30 50 FEEA N#Cc1c(NC(=O)c2ccc(Br)nc2)nc2n1CCS2 173395648 TUUZOGCDMNYXHM-UHFFFAOYSA-N 350.201 2.270 30 50 FEEA CN1C[C@@]2(CCN(C(=O)c3cccc(-c4ccc(C#N)nc4)c3)C2)OC1=O 534646017 VCASVYKIUGEBLJ-HXUWFJFHSA-N 362.389 2.287 30 50 FEEA Cc1ccc(S(=O)(=O)N/N=C/c2ccc(O[C@@H](C)C(=O)O)cc2)cc1 1170268 PEEHNTRLFXRHMA-FHXOWUIVSA-N 362.407 2.159 30 50 FEEA COc1cc(-c2nnc(S)n2/N=C/c2cccn2C)cc(OC)c1OC 5630534 OXYMTUAPHIXAGJ-VCHYOVAHSA-N 373.438 2.480 30 50 FEEA CC[C@@H](Nc1cccc(OC)c1)C(=O)N1CCCn2nc(C#N)cc2C1 65365995 CVXWXCSZZYRTIA-GOSISDBHSA-N 353.426 2.386 30 50 FEEA CCOC(=O)C1=C(N)OC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1cnn(C)c1C 2759252 IFWATFDULXGCJW-AWEZNQCLSA-N 359.426 2.219 30 50 FEEA N#Cc1cccc(N2CCC(c3n[nH]c(=O)n3Cc3ccccc3)CC2)n1 71751834 VLIHAFJPJUMKSN-UHFFFAOYSA-N 360.421 2.270 30 50 FEEA CC1(C)OB(c2ccc(OC[C@@H](O)CN3CCCCC3)cc2)OC1(C)C 169746687 RFBSFMCUMYXPID-KRWDZBQOSA-N 361.291 2.211 30 50 FEEA in-vitro C=C[C@H](O)C(=O)N1CCC(c2nccc(-c3ccccc3OC)n2)CC1 952892180 FHPBJEGATWEDJT-KRWDZBQOSA-N 353.422 2.405 30 50 FEEA C#CCCC1(CCNC(=O)COc2cccc(NC(=O)C3CC3)c2)N=N1 2325890913 CMFGZXWADWNFDK-UHFFFAOYSA-N 354.410 2.496 30 50 FEEA CC(C)CCCC(=O)CCCCCCC(=O)CCN(O)C(=O)[C@@H](N)CO 4809101 ILLOYMPJYAVZKU-SFHVURJKSA-N 372.506 2.219 30 50 FEEA biogenic,in-vitro C=CCN(C)Cc1ccc(OC[C@H](O)CN2CCSCC2)c(OC)c1 95501699 NMLLWACBHFKCNG-QGZVFWFLSA-N 366.527 2.102 30 50 FEEA Cc1ccc(/C=N/N2C(=O)[C@@H]3[C@H]4C=C[C@@H]([C@@H]5C[C@H]45)[C@H]3C2=O)cc1[N+](=O)[O-] 239403045 RLGVJTSLMWJIQA-WQAPVAGSSA-N 351.362 2.290 30 50 FEEA C#CCOc1cc(C(=O)N(C)[C@@H]2C[C@@H]3CC(=O)N(C)C[C@@H]3C2)ccc1OC 1529120838 OMHPDFCOLUJSHN-IXDOHACOSA-N 370.449 2.036 30 50 FEEA C#CCCC1(CCC(=O)N2CCCNC(=O)[C@H]2Cc2ccccc2)N=N1 952883206 XQPUOHQDIUNJCY-QGZVFWFLSA-N 352.438 2.302 30 50 FEEA C=CCSc1nc2c(c(=O)[nH]c(=O)n2C)n1Cc1ccccc1Cl 2217283 FTQUYAYDTPGLRF-UHFFFAOYSA-N 362.842 2.403 30 50 FEEA CC(=O)C1=C(O)C(=O)N(CCN(C)C)[C@@H]1c1ccc(Br)cc1 22146409 QYSZFQKBYWSUHH-CQSZACIVSA-N 367.243 2.295 30 50 FEEA CN(C)CCn1ccnc1[C@H]1CCCN(C(=O)c2cccc(C#N)c2)C1 95512176 XXESLZWKKUCJLB-SFHVURJKSA-N 351.454 2.336 30 50 FEEA CN1CCN(S(=O)(=O)c2ccc(C#N)cc2)C[C@@H]1Cc1ccccc1 328885624 OKUXBFPKFITCEI-SFHVURJKSA-N 355.463 2.106 30 50 FEEA N#CC[C@@H](NC(=O)c1cc(Br)cn2ncnc12)C(F)(F)F 830205765 ZVNSKONTFMRGJU-MRVPVSSYSA-N 362.109 2.066 30 50 FEEA C=CCn1c(SCC(N)=O)nnc1-c1cccc(Br)c1 2349229 UVMNPBQHIHVPAG-UHFFFAOYSA-N 353.245 2.471 30 50 FEEA CN(C)C(=O)N1CCC[C@H](C(=O)N2CCC(C#N)(c3ccccc3)CC2)C1 95361538 MDAIOEZDMQKCLC-KRWDZBQOSA-N 368.481 2.464 30 50 FEEA N#Cc1ccc(C(=O)N2C[C@@H]3CC[C@H]2CN(C(=O)c2ccncc2)C3)cc1 1565531430 SLLPCHGTOYXSED-APWZRJJASA-N 360.417 2.330 30 50 FEEA CC1(C)OB(c2ccc([Si](C)(C)c3ccccc3CO)cc2)OC1(C)C 169745883 XFFRLNMYZWHOLZ-UHFFFAOYSA-N 368.358 2.301 30 50 FEEA CN(C)[C@H]1CN(C(=O)c2ccc(-c3ccc(F)c(C#N)c3)cc2)C[C@@H]1O 426373873 WAOMVUBVXPIKNT-OALUTQOASA-N 353.397 2.111 30 50 FEEA N#Cc1ccc(N2CCN(C(=O)[C@H]3CCc4cn[nH]c4C3)CC2)c(Cl)c1 278377228 ITRNQHHIZOELRT-AWEZNQCLSA-N 369.856 2.388 30 50 FEEA Cc1c(/N=C(\S)SCCC(N)=O)c(=O)n(-c2ccccc2)n1C 4574789 KIWNPZCALBOJSX-UHFFFAOYSA-N 350.469 2.010 30 50 FEEA COC(=O)c1cc(C#N)c(N2CCc3[nH]nc(C4CC4)c3CC2)nc1C 1857668144 WDPMKPLROFQHSU-UHFFFAOYSA-N 351.410 2.254 30 50 FEEA O=S1(=O)CCC[C@@H]1C/N=C(/O)N1CCO[C@H](c2ccc(Cl)cc2)C1 330076617 MKMFAQBFDUIUGL-CABCVRRESA-N 372.874 2.205 30 50 FEEA C#CCCC1(CCC(=O)N2CCN(Cc3cn4ccccc4n3)CC2)N=N1 952880268 JRJCFZGHUDQVMT-UHFFFAOYSA-N 364.453 2.334 30 50 FEEA O=S(=O)(c1ccc(F)cc1)N1CCN(/C(S)=N\C2CCCC2)CC1 8830319 MGLDIKQWFFCKGY-UHFFFAOYSA-N 371.503 2.360 30 50 FEEA C[C@H](Oc1ccccc1C#N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)O 299747431 CZJNSFPNSVQNRF-GUYCJALGSA-N 350.374 2.364 30 50 FEEA COc1cc(Br)c(/C=N/N=C2/NC(=O)CS2)cc1OC 15658906 ZBLHJMCKAKMIKP-LHHJGKSTSA-N 358.217 2.019 30 50 FEEA C[C@@H]1[C@H](N2CCCC2)CCN1/C(O)=N/Cc1ccc(S(C)(=O)=O)s1 329390836 SMAPGMAKZFYYES-TZMCWYRMSA-N 371.528 2.124 30 50 FEEA C#CCCC1(CCC(=O)NC[C@@H](Cc2ccc(O)cc2)C(=O)OC)N=N1 2325894823 RLWUVBNHOJJTNA-OAHLLOKOSA-N 357.410 2.196 30 50 FEEA Cc1ccc(C#N)c(N2CCN(C3CCN(C(C)C)CC3)[C@@H](CCO)C2)n1 107006536 JWGGOOYYMQWEKB-FQEVSTJZSA-N 371.529 2.008 30 50 FEEA OCCC#Cc1ccc(CN2CCN(c3ccc(Cl)nn3)CC2)cc1 65380385 WXXGNKVTSJQIQP-UHFFFAOYSA-N 356.857 2.186 30 50 FEEA CC(=O)O[C@@H]1[C@@H]2[C@@H]3C[C@@]14C(=Nc1ccccc14)[C@@H]1C[C@H]2[C@@H](C=O)[C@H](C)N13 31997766 GDXJMOGWONJRHL-AFXVYWMKSA-N 350.418 2.252 30 50 FEEA biogenic,in-vitro CCN1CC[C@@]2(CCC1=O)CN(c1nc(C)cc(C)c1C#N)CCN2C 95375881 HIVKRZMNHDLLMA-FQEVSTJZSA-N 355.486 2.093 30 50 FEEA Cc1ccc(/C=N/N2C(=O)[C@H]3[C@H]4C=C[C@@H]([C@H]5C[C@H]54)[C@H]3C2=O)cc1[N+](=O)[O-] 253387526 RLGVJTSLMWJIQA-GLOKOYEVSA-N 351.362 2.290 30 50 FEEA N#Cc1ccc(F)c(CS(=O)(=O)N2CC(O)=N[C@@H]3CCCC[C@H]32)c1 329123749 LNLVOJJSKKPDRS-HUUCEWRRSA-N 351.403 2.110 30 50 FEEA CCOc1cccc([C@@H]2CC(=O)NC3=C2C(=O)[C@@H](C(=O)OC)[C@@H](C)C3)c1 16606671 DQUZRLXHEYWQCK-YLVFBTJISA-N 357.406 2.341 30 50 FEEA C#CCCC1(CCC(=O)N2CCN(c3cnc4ccccn34)CC2)N=N1 2325900415 XWVOSVAVRROHRA-UHFFFAOYSA-N 350.426 2.339 30 50 FEEA C=CCOC(=O)N1CCC(Cc2nn(C)c(=O)n2-c2ccccc2)CC1 67851846 YDIRISDRJFTSQC-UHFFFAOYSA-N 356.426 2.148 30 50 FEEA CCC[C@]1(C2CCN(c3nc(C)cc(C)c3C#N)CC2)NC(=O)NC1=O 71279008 MXSGWNBEHDVNKB-LJQANCHMSA-N 355.442 2.165 30 50 FEEA COc1ccccc1N1CCN(CC(=O)Nc2ccc(C#N)cc2)CC1 55565632 PHKBKXDLUZXKOM-UHFFFAOYSA-N 350.422 2.328 30 50 FEEA COc1nccc(N2CCN(Cc3ccccc3)[C@@H](CCO)C2)c1C#N 106945281 XBVHRPYQVPEVST-KRWDZBQOSA-N 352.438 2.035 30 50 FEEA CC(C)(O)C#Cc1ccc(CN2CCN([C@@H]3CN4CCC3CC4)CC2)cc1 65395831 OXUFSMCLCPTYTP-JOCHJYFZSA-N 367.537 2.021 30 50 FEEA C=CC[C@]1(CO)CCCN(Cc2ccc(OCC(N)=O)c(Cl)c2)C1 91998053 UAYILQCQUAXTHI-SFHVURJKSA-N 352.862 2.355 30 50 FEEA N#Cc1cccc(C(=O)N[C@H]2COCC[C@@H]2Oc2ccc(CO)cc2)c1 1565511680 VATSDVCRDDIEHS-OALUTQOASA-N 352.390 2.017 30 50 FEEA O=C(C[C@H]1S/C(=N\N=C\c2ccco2)NC1=O)Nc1ccccc1F 5636885 ONGRSRLVUGSGTR-AGZSBTIMSA-N 360.370 2.369 30 50 FEEA C=CCN(CC=C)C(=O)[C@@H]1CCCN(C2CCN(C(=O)C3CC3)CC2)C1 12711962 IFAUPJBNCQBDFX-GOSISDBHSA-N 359.514 2.300 30 50 FEEA CN1CCN(S(=O)(=O)c2ccc(C#N)cc2)C[C@H]1Cc1ccccc1 328885623 OKUXBFPKFITCEI-GOSISDBHSA-N 355.463 2.106 30 50 FEEA C=CCNC(=O)CN(c1cccc(OC)c1)S(=O)(=O)c1ccccc1 2967152 DSCGAVOUVXVEGZ-UHFFFAOYSA-N 360.435 2.193 30 50 FEEA C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2[C@@H]2C[C@@]3([C@@H](C(=O)CO)CC[C@@H]13)[C@H](O)O2 4172331 QUQBHBRVKLEOEI-JRYMICSMSA-N 360.450 2.003 30 50 FEEA in-vitro COC(=O)c1cc(C#N)c(N2CCC(O)(c3ccc(C)cn3)CC2)nc1C 67696330 WWOPZCBTLJRIEI-UHFFFAOYSA-N 366.421 2.240 30 50 FEEA O=C1[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C[C@@H]34)[C@H]2C(=O)N1N=Cc1cc2c(cc1Cl)OCO2 245226739 JTXWSZAFELZYOI-FDJUTITPSA-N 370.792 2.456 30 50 FEEA CN(C)[C@H](CNC(=O)N1CCO[C@H](C#N)C1)c1cccc(C(F)(F)F)c1 187468238 QYZNUZCFMQBMMP-HUUCEWRRSA-N 370.375 2.242 30 50 FEEA Oc1c(Br)cc(/C=N/n2cnnc2)c(O)c1Br 1210634 QOUCGTARHYIVJI-JLZUIIAYSA-N 361.981 2.097 30 50 FEEA CC(=O)C1=C(O)C(=O)N(CCN(C)C)[C@H]1c1ccc(Br)cc1 22146405 QYSZFQKBYWSUHH-AWEZNQCLSA-N 367.243 2.295 30 50 FEEA Cc1[nH]nc(CCC(=O)N2CC(=O)N(c3ccccc3C#N)C[C@@H]2C)c1C 77342396 YDVXCRAHLQKHKP-ZDUSSCGKSA-N 365.437 2.095 30 50 FEEA Cn1c(Cn2ccnc2)nnc1[C@@H]1CCCN(Cc2ccc(C#N)cc2)C1 91574370 CSQOFNRLOMXMNX-GOSISDBHSA-N 361.453 2.311 30 50 FEEA Cc1ccc(C#N)c(N2CCC[C@H](c3nnc(Cn4cccn4)n3C)C2)n1 95383503 OUXVSLMNKNZTBF-INIZCTEOSA-N 362.441 2.019 30 50 FEEA O=C1O[C@H]2CN(Cc3ccc(C#CCCO)cc3)C[C@H]2N1C1CCCC1 1615633197 KTWLYLVVKKMXDN-UXHICEINSA-N 354.450 2.368 30 50 FEEA COc1ccc(S(=O)(=O)/N=C2\C=CC(=O)C(Br)=C2)cc1 16134198 MYZJVSICKXOQEK-OQLLNIDSSA-N 356.197 2.243 30 50 FEEA C#C[C@@](C)(CC)NC(=O)Cn1nnc(-c2ccc(C(F)(F)F)cc2)n1 4717412 DMPUBBITUFNCFR-HNNXBMFYSA-N 351.332 2.277 30 50 FEEA CCN(Cc1cc(O)n2ncc(C#N)c2n1)Cc1cccc2c1OCO2 2325771824 SIBGSGHFKFLKMV-UHFFFAOYSA-N 351.366 2.057 30 50 FEEA C#CCCC1(CCC(=O)N2CCC(CNC(=O)c3ccccn3)CC2)N=N1 2325892193 DJTWTTKQJSPCIX-UHFFFAOYSA-N 367.453 2.406 30 50 FEEA C#CC[C@@H]1NC(=O)N(C[C@@H](O)Cn2c3ccccc3c3ccccc32)C1=O 225437292 WBBZYXQLBJPLFD-YOEHRIQHSA-N 361.401 2.099 30 50 FEEA C=CC[C@]1(CO)C[C@H](O)[C@@H]2[C@H](CC=C3CC4(CC[C@@]32C)OCCO4)[C@H]1O 253596610 UATRNPBZSKTJEY-YDRVBMSGSA-N 364.482 2.163 30 50 FEEA O=C1[C@H]2[C@H]3C=C[C@H]([C@H]2C(=O)N1/N=C/c1cc2c(cc1Cl)OCO2)[C@@H]1C[C@@H]31 253390211 JTXWSZAFELZYOI-NXYIXRPXSA-N 370.792 2.456 30 50 FEEA C=C(Cl)Cn1c(=O)c(CNCCn2cncn2)cc2ccc(F)cc21 11969603 QIXOETLHGSNCST-UHFFFAOYSA-N 361.808 2.274 30 50 FEEA C=CCN1CC[C@]2(CCC1=O)CN(Cc1ccc(C(=O)O)cc1)CCN2C 107417527 NEBMXBUBANOFGF-OAQYLSRUSA-N 371.481 2.070 30 50 FEEA C[C@H](C(=O)Nc1ccccc1C#N)N1CC[C@@H](OCCN2CCCCC2)C1 229881011 VGTPLZNXXXUSLG-IEBWSBKVSA-N 370.497 2.462 30 50 FEEA Cc1ncc2c(c1C#N)CCN(C(=O)CN1CCOc3ccccc3C1)C2 65451467 RZRIBBBXPPKUHM-UHFFFAOYSA-N 362.433 2.041 30 50 FEEA C=CCN1CC2(CCC1=O)CCN(CC(=O)NCCc1ccccc1)CC2 91908492 KKLTTYFTABZXEY-UHFFFAOYSA-N 369.509 2.236 30 50 FEEA C[C@H](Cc1ccc(F)c(Br)c1)/N=C(/O)N[C@@H]1CC(=O)N(C)C1 331139882 WSNRXHWNLRAUQL-MWLCHTKSSA-N 372.238 2.254 30 50 FEEA CC(=O)NCc1cc(O[C@H]2CCN(Cc3ccc(C#N)cc3)C2)ccn1 886056881 FNQCNWINAOXCOV-FQEVSTJZSA-N 350.422 2.243 30 50 FEEA N#C[C@H](CC1CC1)C(=O)NCC(=O)N1CCN(c2ccc(Cl)cc2)CC1 170595787 BSSJOASWDBLOJK-HNNXBMFYSA-N 374.872 2.045 30 50 FEEA CN1C(=O)CCC12CCN(C(=O)c1cccc(C#CC(C)(C)O)c1)CC2 1506397741 CGOMCLQZWHOKOB-UHFFFAOYSA-N 354.450 2.036 30 50 FEEA N#Cc1cccc(C(=O)N[C@H]2CC[C@@H](NC(=O)CCc3ccncc3)C2)c1 1857703802 RZRQHWOTTRPEIT-MOPGFXCFSA-N 362.433 2.353 30 50 FEEA OC[C@@H](O)/C=N/Nc1nc(Nc2ccccc2)nc(Nc2ccccc2)n1 1031712 ZVIWROLUXGGDNS-BKQORJHRSA-N 365.397 2.110 30 50 FEEA O=C(NCC/N=C(\O)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)F 68572243 FIYBCTKHPJMSKA-UHFFFAOYSA-N 352.128 2.454 30 50 FEEA biogenic C[C@@H]1[C@@H](N2CCCC2)CCN1/C(O)=N/Cc1ccc(S(C)(=O)=O)s1 329390835 SMAPGMAKZFYYES-OCCSQVGLSA-N 371.528 2.124 30 50 FEEA CNC(=O)[C@@H]1CCC[C@@H]1N/C(O)=N/Cc1nc(C(F)(F)F)cs1 330569012 LZNKPULVHBNRSV-SFYZADRCSA-N 350.366 2.080 30 50 FEEA C#CC[C@@H](NC(=O)c1ccc(Br)cc1OC(C)C)C(=O)O 910053049 NIPCBXHTFMBQAS-GFCCVEGCSA-N 354.200 2.443 30 50 FEEA C[C@@H]1C(=O)NCCN1Cc1ccc(C(=O)Nc2sccc2C#N)cc1 65407765 UBDJKIMUNDYRJW-GFCCVEGCSA-N 354.435 2.192 30 50 FEEA Cc1cc(CN2CCN(/C(O)=N/CCOC3CCCCC3)CC2)no1 328806330 LDIVHDPKAILZCR-UHFFFAOYSA-N 350.463 2.364 30 50 FEEA CO[C@@H]1C[C@@H](c2nc(C3CC3)n[nH]2)N(CCOc2ccc(C#N)cc2)C1 284535034 GTALPIYQJCPGOU-SJORKVTESA-N 353.426 2.395 30 50 FEEA C=C(C)Cn1c(=O)c2c(nc3n(-c4ccc(F)cc4)c(C)cn23)n(C)c1=O 12374112 YITZDCQLEWWVRZ-UHFFFAOYSA-N 367.384 2.162 30 50 FEEA Cc1c(C#N)c(N2CCC3(CC2)C(=O)N(C)C(=O)N3C)nc2ccccc12 1857678919 DFUXMHKHHRVVBS-UHFFFAOYSA-N 363.421 2.278 30 50 FEEA CC(C)Cn1cc(NC(=O)N2CCN(c3ccc(C#N)cn3)CC2)cn1 266400233 OVBGWWIWXCXIGK-UHFFFAOYSA-N 353.430 2.160 30 50 FEEA C/N=C(/O)[C@H](O)CNC(=O)C1=NN(c2ccccc2)[C@H](c2ccccc2)C1 328596229 XUVVTDHIKSYWKH-ZWKOTPCHSA-N 366.421 2.057 30 50 FEEA O/C(=N/[C@@H]1CCc2c[nH]nc2C1)N1C[C@H](O)C[C@@H]1c1ccc(F)c(F)c1 328884877 NCINXMNRMWGQFT-PBFPGSCMSA-N 362.380 2.267 30 50 FEEA Cn1cc(C#N)cc1C(=O)N1CCOC[C@@H]1c1nc(-c2cccs2)no1 367017741 SAEMSUBTKBBIBI-CYBMUJFWSA-N 369.406 2.222 30 50 FEEA O=C1[C@H]2CC[C@H](CN(Cc3ccc(C#CCO)s3)C2)N1CC1CCC1 95362187 ZBTSXLKFXHTIAM-DLBZAZTESA-N 358.507 2.315 30 50 FEEA CCSC(=S)S[C@](C)(C#N)CCC(=O)ON1C(=O)CCC1=O 146226977 YNKNGAHVZJLFGL-ZDUSSCGKSA-N 360.482 2.427 30 50 FEEA C=CCn1c(SCC(=O)O)nnc1-c1cc(OC)c(OC)c(OC)c1 856385 UPXQIEUCFQTEFK-UHFFFAOYSA-N 365.411 2.334 30 50 FEEA N#Cc1cc2c(=O)n(CC[C@@H]3CCN(Cc4ccccc4)C3)ccc2[nH]c1=O 67562080 VSNMSDHXDLMQRO-KRWDZBQOSA-N 374.444 2.474 30 50 FEEA N#C[C@@H]1CCCN(C(=O)c2ccc(-c3ccccc3S(N)(=O)=O)cc2)C1 426628308 POBOSCMDUKUSEG-AWEZNQCLSA-N 369.446 2.377 30 50 FEEA COc1cccc(F)c1C(=O)N1CCN(c2ccccc2C#N)C(=O)C1 82126355 VUMTVSOTKZSKBA-UHFFFAOYSA-N 353.353 2.195 30 50 FEEA CN1CC[C@@H](NC(=O)c2cccc(-c3nc4c(cc3C#N)CCCC4)c2)C1=O 534590714 ZDBYBENOKWREAU-LJQANCHMSA-N 374.444 2.460 30 50 FEEA CC(C)[C@H]1CN(C(=O)C2CCN(c3ccc(C#N)cn3)CC2)CCCO1 1875258991 MENHONIDPQPHSU-GOSISDBHSA-N 356.470 2.443 30 50 FEEA C#CCCC1(CCC(=O)N[C@@H](Cc2ccccc2)CN2CCOCC2)N=N1 2325892741 ZTQSGVHQBYSIKZ-IBGZPJMESA-N 368.481 2.402 30 50 FEEA Cc1cc(F)cc(C#N)c1S(=O)(=O)N(C)Cc1ncc(Cl)n1C 867069255 IGCWHXSTMADEHO-UHFFFAOYSA-N 356.810 2.213 30 50 FEEA C[C@@H]1CCCCN1S(=O)(=O)NCc1ncc(-c2cccc(C#N)c2)[nH]1 329797528 XFVQIKIYGYAQBR-CYBMUJFWSA-N 359.455 2.157 30 50 FEEA CCO[C@H]1CN(C)C[C@@H]1NC(=O)c1ccc(-c2cc(C#N)ccn2)cc1 426548889 VRZJCJNZYOAKFQ-OALUTQOASA-N 350.422 2.069 30 50 FEEA N#Cc1n[nH]c(=N[C@@H]2CC[C@@H](NC(=O)C3(F)CC3)c3ccccc32)s1 1875408162 PTSDWXFOMOGLPU-CHWSQXEVSA-N 357.414 2.438 30 50 FEEA CC(=O)NCc1cc(O[C@@H]2CCN(Cc3ccc(C#N)s3)C2)ccn1 886072093 PACHGOIDZNEZBO-MRXNPFEDSA-N 356.451 2.304 30 50 FEEA FC(F)(F)c1nnc(S)n1/N=C/c1ccc(N2CCOCC2)cc1 1170978 LUCRWGITYVYISO-GIJQJNRQSA-N 357.361 2.304 30 50 FEEA N#Cc1cccnc1N1CCC(NCc2nc(-c3ccco3)no2)CC1 65385995 NTVKWLNCTXMNHZ-UHFFFAOYSA-N 350.382 2.355 30 50 FEEA CN(C[C@H]1CCc2nc(C(F)(F)F)cn2C1)C(=O)c1cc(C#N)c[nH]1 328619741 GDVHQPBJBSMFJM-SNVBAGLBSA-N 351.332 2.436 30 50 FEEA CN(Cc1nccc(N)n1)[C@H]1CCCN(c2ncc(C#N)cc2Cl)CC1 328625436 DDNSWCFVEBKJQQ-AWEZNQCLSA-N 371.876 2.470 30 50 FEEA N#Cc1ncccc1S(=O)(=O)N1CC[C@@]2(CCc3ccccc3O2)C1 377872503 DVBNWKBBFXLNPD-SFHVURJKSA-N 355.419 2.112 30 50 FEEA N#CCN1CCc2ccc(NC(=O)c3ccccc3SCC(N)=O)cc21 1875391088 CLCWUWGHMATHHU-UHFFFAOYSA-N 366.446 2.402 30 50 FEEA CNC(=O)[C@@H]1C[C@@H](Nc2ncccc2C#N)CN1Cc1ccc2[nH]ccc2c1 96150621 LTECJPQHUHAOIA-MJGOQNOKSA-N 374.448 2.236 30 50 FEEA N#Cc1ccc(N2CCN(C(=O)[C@@H]3CCc4cn[nH]c4C3)CC2)c(Cl)c1 278377234 ITRNQHHIZOELRT-CQSZACIVSA-N 369.856 2.388 30 50 FEEA C=CCn1cc(CNCCCNS(=O)(=O)c2ccc(C)cc2)c(C)n1 55071304 ASWVKVRCNQXLDA-UHFFFAOYSA-N 362.499 2.144 30 50 FEEA CCOC(=O)C(=O)/C(=C\N(C)C)c1onc(-c2ccccc2)c1C(=O)OC 5247293 OUQPTJUZKCAVCT-ACCUITESSA-N 372.377 2.163 30 50 FEEA O=S(=O)(N/N=C/c1cc(Br)ccc1O)c1ccccc1 1215117 OEMCLQLAWYKPRK-OQLLNIDSSA-N 355.213 2.467 30 50 FEEA in-vitro N#Cc1nc2ccccc2n1CC(=O)NCc1ccc2c(c1)CCC(=O)N2 12360408 LWQKAWYHGBBJGQ-UHFFFAOYSA-N 359.389 2.109 30 50 FEEA biogenic,in-vitro Cn1c(SCC(=O)Nc2ccccc2C#N)nnc1-c1cccnc1 10231008 OLDXBIHHWRUUOI-UHFFFAOYSA-N 350.407 2.480 30 50 FEEA COc1nccc(N2CCN(Cc3ccc(F)cc3)[C@@H](CCO)C2)c1C#N 106994512 NRMAHBXTVZFQEF-KRWDZBQOSA-N 370.428 2.174 30 50 FEEA C=CCOc1ccc(-c2nn3c(CN4CCOCC4)nnc3s2)cc1 57524410 HFAKOAKPMDMGKC-UHFFFAOYSA-N 357.439 2.250 30 50 FEEA CCOC(=O)c1c(C)noc1N=C(O)Cn1c(=O)n(C)c2ccccc21 328596600 HENMOINZPHWNPO-UHFFFAOYSA-N 358.354 2.101 30 50 FEEA CN(C[C@@H]1CCc2nc(C(F)(F)F)cn2C1)C(=O)c1cc(C#N)c[nH]1 328619740 GDVHQPBJBSMFJM-JTQLQIEISA-N 351.332 2.436 30 50 FEEA OC1=N[C@@]2(CCC[C@H]2C/N=C(/O)Cn2ccc(C(F)(F)F)n2)C(O)=N1 329296079 SSGZKIMHWFEXJX-ISVAXAHUSA-N 359.308 2.281 30 50 FEEA COc1cc2c(cc1-c1c(C#N)c(N)nc3c1CNCC3)OCCCO2 72158488 WSEDXZGEODBDQJ-UHFFFAOYSA-N 352.394 2.018 30 50 FEEA C#CCCC1(CCC(=O)N[C@@]2(C(=O)OC)CCc3c(OC)cccc32)N=N1 2325894007 JJIBAJBECCBRSW-FQEVSTJZSA-N 369.421 2.482 30 50 FEEA N#Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2CCN2CCCC2=O)cc1 77438525 BQOSAJAUIHZHPQ-MRXNPFEDSA-N 361.467 2.114 30 50 FEEA N#Cc1ccc(N[C@@H]2CCO[C@H]2C2CCN(C(=O)c3ccon3)CC2)nc1 888103444 HKRHYBRXLFXFMV-QAPCUYQASA-N 367.409 2.063 30 50 FEEA N#C[C@H](OC(=O)C1=NN(c2ccccc2)[C@@H](C(N)=O)C1)C1CCCCC1 170592022 XIRGMQHLSSWHRD-SJORKVTESA-N 354.410 2.122 30 50 FEEA C#CCCC1(CCC(=O)NC[C@@H]2CCCN(Cc3cnn(C)c3)C2)N=N1 2325900161 NGIQKLPYXRRLDI-INIZCTEOSA-N 356.474 2.104 30 50 FEEA C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N[C@@H]1CCCN(c2ccc(C)nn2)C1 332694098 VYOIPUQIQYQHKD-JZXOWHBKSA-N 359.474 2.034 30 50 FEEA Cc1nn(CCC#N)c(C)c1CCC(=O)N1CCO[C@@H](COCC2CC2)C1 170600906 AMDHSMPMTBTCBE-GOSISDBHSA-N 374.485 2.000 30 50 FEEA C#CCOC(=O)O/N=c1\sc2ccccc2n1CCSCCO 5494275 RYGHDHLOLOTFKZ-PEZBUJJGSA-N 352.437 2.030 30 50 FEEA OC(=Nc1ccccn1)N1CCO[C@H](c2ccnc(N3CCCC3)n2)C1 328615894 BDJXBVODMULPGR-HNNXBMFYSA-N 354.414 2.091 30 50 FEEA C=CCNC(=O)C1CCN(S(=O)(=O)Cc2c(F)cccc2Cl)CC1 24613205 GKGJWCVGKRNWHE-UHFFFAOYSA-N 374.865 2.323 30 50 FEEA C[C@@H]1CCCC[C@@H]1OCC(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N 252511555 HYNDDHUWTOIQJI-FPCVCCKLSA-N 365.474 2.457 30 50 FEEA CCOc1cc(/C=N/N2C(=O)[C@@H]3[C@H]4C=C[C@@H]([C@@H]5C[C@H]45)[C@H]3C2=O)ccc1O 252428758 YTDUBYPQQWZWGR-VUXCTKBPSA-N 352.390 2.178 30 50 FEEA N#Cc1ccc(N2CCN(C(=O)NCCCN3CCCCC3)CC2)cc1 584904137 LFSQGVJIOJXYNL-UHFFFAOYSA-N 355.486 2.266 30 50 FEEA N#Cc1c[nH]c(C(=O)N2CC[C@H](Oc3cccnc3N3CCCC3)C2)c1 275584242 JSYLUJLTYUGDHV-HNNXBMFYSA-N 351.410 2.175 30 50 FEEA N#Cc1ccc(S(=O)(=O)NC(=O)C[C@H]2OCCc3ccccc32)cc1 115900658 PEVDQYJJPDFLFG-QGZVFWFLSA-N 356.403 2.067 30 50 FEEA Cc1cc(N/C(O)=N/[C@H](c2nc(C(C)C)no2)C2CCOCC2)nn1C 328632485 RYPVGHGGEDGDBE-AWEZNQCLSA-N 362.434 2.729 30 50 FEEA Cc1cc(C)c(C#N)c(NCc2cc3n(n2)CCCN(C(=O)N(C)C)C3)n1 82107924 RGUGRHAQMRGALZ-UHFFFAOYSA-N 367.457 2.266 30 50 FEEA Cc1ccc(C#N)c(N2CCC[C@@H](c3nnc(Cn4cccn4)n3C)C2)n1 95383504 OUXVSLMNKNZTBF-MRXNPFEDSA-N 362.441 2.019 30 50 FEEA C[C@H](N)[C@@H]1CCCN(S(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)C1 237478969 ZDQIOAVQOFWYCB-CMPLNLGQSA-N 361.389 2.325 30 50 FEEA Cc1nccn1Cc1nnc(C2CCN(c3cc(C#N)ccn3)CC2)n1C 91680514 BOXMJMUYIBCTPE-UHFFFAOYSA-N 362.441 2.019 30 50 FEEA COc1cc(/C=N/N2C(=O)[C@@H]3[C@H]4C=C[C@@H]([C@@H]5C[C@@H]45)[C@H]3C2=O)cc(Cl)c1O 245380631 DOAZLJJZTAJMSX-YUJVAMCHSA-N 372.808 2.441 30 50 FEEA CN1CCC2(CCCN2/C(O)=N/Cc2cccc(C(=O)N(C)C)c2)CC1 329084360 TYKHKHVNCXHRKD-UHFFFAOYSA-N 358.486 2.363 30 50 FEEA C#CC1CCN(C(=O)CNC(=O)N2CCCc3c(Cl)ccnc32)CC1 2325798299 HHCGQIMILFNZHU-UHFFFAOYSA-N 360.845 2.069 30 50 FEEA O=C(C/N=C(/O)C#C[C@H]1CCOC1)N1CCC(Cc2ccccc2)CC1 328589832 JFDATBRALUIPRE-IBGZPJMESA-N 354.450 2.464 30 50 FEEA Nc1nsc(N2CCN(/C(O)=N/[C@H]3CCCc4sccc43)CC2)n1 329881235 OFYMGDIPQLXEQI-NSHDSACASA-N 364.500 2.295 30 50 FEEA CNCC1CCN(S(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)CC1 237358683 XMQHIQJCSVVALV-UHFFFAOYSA-N 361.389 2.197 30 50 FEEA CC(C)Cc1cn(C[C@@H]2CCCN(C(=O)C3=CC(=O)CC(C)(C)O3)C2)nn1 48235880 SRYMCTNKJOPKOD-OAHLLOKOSA-N 374.485 2.367 30 50 FEEA Cn1ncc2c(Nc3cccc(C(=O)N4CCC(C#N)CC4)c3)ncnc21 20997884 UNTDDOKWVDMQQC-UHFFFAOYSA-N 361.409 2.483 30 50 FEEA CCOC(=O)Cn1c(=N)n(/N=C/c2ccc([N+](=O)[O-])cc2)c2ccccc21 4397660 BGKJPSBAHBMVRD-ODVUYAOUSA-N 367.365 2.276 30 50 FEEA COc1cc(C#N)ccc1OC[C@H]1CCCN(C(=O)Cc2cc[nH]n2)C1 1857724629 KUEVYERWSUYEPX-HNNXBMFYSA-N 354.410 2.150 30 50 FEEA CC(C)(C)c1ncc(I)c(N2CCO[C@H](C#N)C2)n1 2325780499 MIHYFKXPSGYNRY-SECBINFHSA-N 372.210 2.107 30 50 FEEA OC[C@@H]1CN(/C(O)=N/C[C@@H]2CCCCN2C2CC2)CC[C@H]1C(F)(F)F 329514420 CUVTYXAMKCANPN-AEGPPILISA-N 363.424 2.410 30 50 FEEA Cc1c(C(=O)N2CCN(Cc3cccc(F)c3)CC2)cnc(O)c1C#N 72422883 QZJQKGAUAKURGJ-UHFFFAOYSA-N 354.385 2.064 30 50 FEEA COc1cccc([C@H]2C[C@@H]2C(=O)NS(=O)(=O)c2cccc(F)c2C#N)c1 160031860 VAEJZPWGQVHWAO-KGLIPLIRSA-N 374.393 2.315 30 50 FEEA N#Cc1ccccc1-c1ccc(C(=O)N2C[C@H](CO)[C@@H](CCO)C2)cc1 1875308624 OUZNICPVYXGEES-RBUKOAKNSA-N 350.418 2.288 30 50 FEEA CCN1CCN(Cc2ccccc2CN=C2NC[C@@H](C3CCCC3)N2)CC1 1875332067 BEMCJAFCARLFDJ-NRFANRHFSA-N 369.557 2.432 30 50 FEEA Cc1nnc(N2CC[C@H](Oc3ccnc(CN(C)C)c3)C2)c(C#N)c1C 886089093 XFJZHLMBNIIRON-KRWDZBQOSA-N 352.442 2.079 30 50 FEEA Cc1cccc(N(CC(=O)Nc2ccc(CC#N)cc2)S(C)(=O)=O)c1 1109793 ODVPNEHJUWFZOF-UHFFFAOYSA-N 357.435 2.466 30 50 FEEA C=CCN(Cc1cccc(OC)c1)C(=O)c1cccc(OCC(N)=O)c1 55282060 WVBVDQAGMNFFKH-UHFFFAOYSA-N 354.406 2.388 30 50 FEEA Cc1cc(C)c(CN2CCN(c3nccnc3C#N)CC2)c(-n2cccn2)c1 65489164 DZTTUJCEVSFEAW-UHFFFAOYSA-N 373.464 2.473 30 50 FEEA N#Cc1ccc(C(=O)N2CCO[C@H](c3ccnc(N4CCCC4)n3)C2)cc1 328620327 GXHALIKRNOFILE-SFHVURJKSA-N 363.421 2.162 30 50 FEEA C#CCCC1(CCC(=O)NCc2ccc(CN3CCOCC3)cc2)N=N1 952882088 PEHZWFHOCXQWTN-UHFFFAOYSA-N 354.454 2.491 30 50 FEEA C=CCNC(=O)N1CC[C@]2(CCCN(Cc3cccc(OC)c3)C2=O)C1 14958059 DPBQIHVZAHYFLK-HXUWFJFHSA-N 357.454 2.405 30 50 FEEA CC(=O)C1=C(O)C(=O)N(CCCO)[C@H]1c1ccc(Br)cc1 18058962 YCUTYSUZYBZNHW-ZDUSSCGKSA-N 354.200 2.116 30 50 FEEA C#CCCC1(CCNC(=O)c2ccccc2NS(=O)(=O)C2CC2)N=N1 2325891466 ILIWEHXTYIWJBX-UHFFFAOYSA-N 360.439 2.286 30 50 FEEA C#CCN1C(=O)[C@](O)(CC(=O)c2ccc(OC)cc2OC)c2ccccc21 915202 OXSKIPBBEQFYPQ-NRFANRHFSA-N 365.385 2.144 30 50 FEEA CNS(=O)(=O)c1ccc2c(c1)nc(-c1ccc(OCC#N)cc1)n2C 154877702 GRCLEYDQOCHREC-UHFFFAOYSA-N 356.407 2.051 30 50 FEEA CN1CCN(C(=O)c2cccc(F)c2C#N)C[C@@H]1c1nc(C2CC2)no1 375369700 YIWVJQWMDLNAPV-OAHLLOKOSA-N 355.373 2.087 30 50 FEEA COCCN1C[C@@]2(CCCN(Cc3cc(C#N)n(C)c3C)C2)CCC1=O 77538231 VDSLVPBRJOOANU-FQEVSTJZSA-N 358.486 2.056 30 50 FEEA CC(=O)NCc1cc(O[C@@H]2CCN(Cc3ccc(C#N)cc3)C2)ccn1 886056882 FNQCNWINAOXCOV-HXUWFJFHSA-N 350.422 2.243 30 50 FEEA C=CCN1C(=O)/C(=C2\SC(=S)N(CCOC)C2=O)c2ccccc21 2276892 SINLJEAUJANPRU-YPKPFQOOSA-N 360.460 2.437 30 50 FEEA CCn1nc(NC(=O)N2CCN(c3ccc(C#N)cn3)CC2)cc1C1CC1 267459142 KSZICUKRAHHENH-UHFFFAOYSA-N 365.441 2.401 30 50 FEEA C#CCCC1(CCNC(=O)C2CCN(C(=O)c3ccccn3)CC2)N=N1 2325887324 GPTQKMWDHXVFRU-UHFFFAOYSA-N 353.426 2.016 30 50 FEEA O/C(=N/C[C@@H]1COc2ccccc2O1)N[C@H]1CCOC2(CCOCC2)C1 329949766 HMWMCCWVFZAMSA-LSDHHAIUSA-N 362.426 2.058 30 50 FEEA COCCCN1CCC[C@@]2(CCN(C(=O)c3ccccc3C#N)C2)C1=O 91551080 WSHZLJHYORALGZ-FQEVSTJZSA-N 355.438 2.049 30 50 FEEA COCCCN1CCC[C@]2(CCN(C(=O)c3ccccc3C#N)C2)C1=O 91551079 WSHZLJHYORALGZ-HXUWFJFHSA-N 355.438 2.049 30 50 FEEA COCCCN1CC(=O)C(c2nc(-c3ccc(OC)cc3)cs2)=C1N 13551687 QNEAZPHAFPVHIL-UHFFFAOYSA-N 359.451 2.367 30 50 FEEA NC(=O)c1ccc[n+](CC(=O)c2ccc(NC(=O)c3ccccc3)cc2)c1 1882110 XJRCJIDCFDOMNF-UHFFFAOYSA-O 360.393 2.208 30 50 FEEA Cc1cc(C/N=C(/O)[C@H]2CCO[C@@H]2c2cnn(C)c2C)nc(N(C)C)n1 328605265 MYCSNFRKGVOCHI-HOCLYGCPSA-N 358.446 2.127 30 50 FEEA COc1cc(C=NN2CCN(c3ccccn3)CC2)cc(OC)c1OC 244690992 JAQZXCXJZXIVNV-UHFFFAOYSA-N 356.426 2.264 30 50 FEEA O=C1Oc2ccccc2C(=O)/C1=C\N[C@@H](Cc1ccccc1)c1nc[nH]n1 828327377 QETMMZXGFIMNKX-SFKKXYGYSA-N 360.373 2.364 30 50 FEEA COc1ccccc1/N=C1\NC(=N)N[C@@H](c2ccc(OC)c(OC)c2)N1 3077223 OPLALQAGCPXUSD-MRXNPFEDSA-N 355.398 2.116 30 50 FEEA CC#CCN1C(=O)N[C@@](Cc2cccc(F)c2)(C2CCN(C)CC2)C1=O 12212906 MLTGMHAESAVQKF-FQEVSTJZSA-N 357.429 2.024 30 50 FEEA N#Cc1ccccc1S(=O)(=O)N[C@@H]1COCC[C@@H]1OCc1ccccc1 222597809 GGTSGJHCNPXEHE-MSOLQXFVSA-N 372.446 2.211 30 50 FEEA C=CCNS(=O)(=O)c1ccc(C(=O)Nc2ccc3nccnc3c2)cc1 47229706 FQOLAICMCRVNMQ-UHFFFAOYSA-N 368.418 2.346 30 50 FEEA C=C(C)CN(CC)c1nc(CN2CCN(C=O)CC2)nc2ccccc12 299795228 LFCAMDLFUPOGRK-UHFFFAOYSA-N 353.470 2.306 30 50 FEEA N#Cc1ccccc1CS(=O)(=O)NC(=O)C[C@@H]1OCCc2ccccc21 170628834 JMNCRFPWBBRLQK-SFHVURJKSA-N 370.430 2.208 30 50 FEEA Cn1cnnc1CC1CCN(Cc2ccc(C#CC(C)(C)O)s2)CC1 55132350 KRQKNQCXBRYGJU-UHFFFAOYSA-N 358.511 2.454 30 50 FEEA C#CCCC1(CCC(=O)N[C@H]2CCN(Cc3ccc(OC)cc3)C2=O)N=N1 2325892336 JQSXORBQNFKLCL-KRWDZBQOSA-N 368.437 2.268 30 50 FEEA CNC(=O)[C@@H](NC(=O)c1ccc(C#CC(C)(C)O)cc1)c1ccccc1 223210988 VRQKQWSAEOCGNV-SFHVURJKSA-N 350.418 2.026 30 50 FEEA N#Cc1cccc(-c2n[nH]cc2C(=O)N[C@@H](CC(N)=O)c2ccccc2)c1 1875349276 SIWSNDFKSSBNSD-KRWDZBQOSA-N 359.389 2.295 30 50 FEEA N#Cc1ccccc1C(=O)N1CCN2C(=O)OC[C@]2(Cc2ccccc2)C1 1857679895 ZTWJPOKINDVJIU-NRFANRHFSA-N 361.401 2.448 30 50 FEEA Cn1c2c(c(=O)[nH]c1=O)[C@H](c1ccccc1)C1=C(N2)c2ccccc2C1=O 18285131 BPBFYBNRQMSJHB-CQSZACIVSA-N 357.369 2.239 30 50 FEEA biogenic Cc1ccnc(-n2cccc2CN2CCN(c3nccnc3C#N)CC2)c1 65431096 IOVJCUYEHTZIMV-UHFFFAOYSA-N 359.437 2.165 30 50 FEEA N#Cc1c(F)cccc1S(=O)(=O)N1C[C@H](CO)[C@H](c2ccsc2)C1 328612575 PFTHJXLAJLWKFN-OCCSQVGLSA-N 366.439 2.155 30 50 FEEA OCCC#Cc1ccc(CN2CCC[C@@H](N3CCC(CO)CC3)C2)cc1 23360557 NCENVRKXBNYOSF-JOCHJYFZSA-N 356.510 2.089 30 50 FEEA N#Cc1ccc(F)c(C(=O)Nc2ccc(N3CCCS3(=O)=O)cc2)c1 1354657414 BKHCVOVLVMEMNC-UHFFFAOYSA-N 359.382 2.490 30 50 FEEA Cc1ccccc1[C@H]1C[C@H](/N=C(/O)N2CCO[C@H](CN(C)CC(=N)O)C2)C1 329804294 LXMWEEPPWRJPGX-BRWVUGGUSA-N 374.485 2.323 30 50 FEEA Cc1cc(N2CCC[C@@H](N(C)Cc3nccc(N)n3)CC2)c(C#N)c(C)n1 328651467 VXRKVAJOBBIXCK-MRXNPFEDSA-N 365.485 2.433 30 50 FEEA CC(C)n1cnc(C(=O)N2CC[C@H](C)[C@@H](CNc3cncc(C#N)n3)C2)c1 1875333860 OBQPUEALAHMXTB-GJZGRUSLSA-N 367.457 2.336 30 50 FEEA C=C(C)Cn1c(=O)c2c(nc3n2CCCN3c2cccc(C)c2)n(C)c1=O 12374016 ODZZHNOGQXQCHG-UHFFFAOYSA-N 365.437 2.323 30 50 FEEA CN1CCN(CCCOc2ccccc2CN2CCC[C@@H](C#N)C2)CC1 216196290 JTDASDURFMOAMZ-IBGZPJMESA-N 356.514 2.438 30 50 FEEA Cn1c(=O)c2c(nc(/N=C/c3ccccc3)n2Cc2ccccc2)n(C)c1=O 6025436 OVFASYWMPJPDPB-LPYMAVHISA-N 373.416 2.233 30 50 FEEA C=C1C(C)(C)[C@H]2CC[C@@]1(C(=O)N1CCC[C@H](C(=O)N3CCOCC3)C1)C2 102336874 XWHMXDOSTXIJGB-XGHQBKJUSA-N 360.498 2.466 30 50 FEEA CC(C)Oc1ccccc1C(=O)N1CCN(c2nccnc2C#N)C[C@H]1C 155623175 LVFMAFXTNBPTIN-OAHLLOKOSA-N 365.437 2.486 30 50 FEEA Cc1cc(N2CCCN(C(=O)c3ccc(C#CC(C)(C)O)o3)CC2)ccn1 952965519 PWJSFBFTIOOGOX-UHFFFAOYSA-N 367.449 2.458 30 50 FEEA CN(C)[C@@H](CNC(=O)N1CCO[C@H](C#N)C1)c1cccc(C(F)(F)F)c1 187468220 QYZNUZCFMQBMMP-CABCVRRESA-N 370.375 2.242 30 50 FEEA Cc1ccc(CCN2C(=O)CC[C@@H]3CN(C(=O)C4(C#N)CC4)CC[C@@H]32)o1 216934040 KPXZYEJIUIBTJD-WBVHZDCISA-N 355.438 2.274 30 50 FEEA O=C(O)Cn1cc(/C=C2/COc3c(Cl)cc(Cl)cc3C2=O)nn1 134388046 MSYVYAPOQPNJKX-XFSBKJJWSA-N 354.149 2.328 30 50 FEEA N#Cc1ccc(S(=O)(=O)N2C[C@H](CO)[C@H](c3ccsc3)C2)c(F)c1 328610142 GPBKQGMAYJMDIF-KGLIPLIRSA-N 366.439 2.155 30 50 FEEA CCN(Cc1noc(C)n1)[C@H]1CCCN(C(=O)c2cc(C#N)c[nH]2)CC1 328624538 CMFNBZVRAMHGPA-HNNXBMFYSA-N 356.430 2.095 30 50 FEEA N#Cc1c(-c2ccc(C#CCCO)cc2)cc(-c2cc(C(=O)O)[nH]n2)nc1N 72142957 MVMAIMZJLLWXIS-UHFFFAOYSA-N 373.372 2.025 30 50 FEEA Cc1cc(N2CCC3(CCC(=O)N(CCCO)C3)CC2)nc(C)c1C#N 91382181 ZYMZDFKQGBLBEZ-UHFFFAOYSA-N 356.470 2.162 30 50 FEEA Cc1cccc(N2CCN(CC[C@@H](C)NCc3c(C#N)ncn3C)CC2)c1 2325788966 WHLAVWKDAQCXQZ-GOSISDBHSA-N 366.513 2.291 30 50 FEEA Cc1cc(C#N)ccc1S(=O)(=O)Nc1nncn1Cc1ccccc1 170637624 DUHFYDFBDZRSCW-UHFFFAOYSA-N 353.407 2.307 30 50 FEEA C#CCCC1(CCNC(=O)[C@H]2CC(=O)N(Cc3ccc(OC)cc3)C2)N=N1 2325891003 LJGYPWXZWFWPDH-INIZCTEOSA-N 368.437 2.126 30 50 FEEA C#CCCC1(CCC(=O)N2CCN(C(=O)c3cccc(OC)c3)CC2)N=N1 2325891997 VTMVIKNCSOVDGC-UHFFFAOYSA-N 368.437 2.335 30 50 FEEA CCn1ccnc(N2CCC(/N=C(/O)CCCn3cccc3)CC2)c1=O 328649345 VAAPGLSNHRIZJU-UHFFFAOYSA-N 357.458 2.470 30 50 FEEA N#Cc1ccc(N2CCCN(C(=O)c3ccc4c(c3)OCO4)CC2)nc1 1149163633 HVUAMEVSHACLSI-UHFFFAOYSA-N 350.378 2.034 30 50 FEEA Cn1c([C@@H]2CCCN2CC(=O)N[C@](C)(C#N)C2CC2)nc2c1CCCC2 275569602 FFRUBXQRFZIFLJ-FXAWDEMLSA-N 355.486 2.244 30 50 FEEA C=CCn1nc(C(=O)N2CCOCC2)c2c1CC[C@@H](N1CCC(C)CC1)C2 14741888 NPQQPLQTDSAVAP-QGZVFWFLSA-N 372.513 2.131 30 50 FEEA N#C[C@@H]1CN(C(=O)C2CCN(Cc3ccccc3)CC2)CCN1C1CC1 377666186 CZMHXQXLTHALBP-HXUWFJFHSA-N 352.482 2.097 30 50 FEEA N#Cc1ccc(O[C@@H]2CCOC[C@H]2NC(=O)CCc2cccnc2)cc1 219167988 GKQIOGWMRYKLKX-RTBURBONSA-N 351.406 2.239 30 50 FEEA N#Cc1cccnc1N1CCc2ncnc(NCc3cccnc3)c2CC1 72432223 KMEYJRODPAXGGP-UHFFFAOYSA-N 357.421 2.356 30 50 FEEA CC1(C)CC(N2CC(=O)C(c3nc4ccccc4[nH]3)=C2N)CC(C)(C)N1 218613147 UTJIIYUNOXZEHI-UHFFFAOYSA-N 353.470 2.384 30 50 FEEA CCOC(=O)[C@H](C#N)C(c1cccc(OC)c1OC)[C@@H](C#N)C(=O)OCC 44126270 HUCHRDYOUXHDTF-ZIAGYGMSSA-N 374.393 2.193 30 50 FEEA C=CCn1cc(CN2CCCn3nc(CNC(=O)C4CCC4)cc3C2)cn1 91474088 PZIMMXJBYPWIMN-UHFFFAOYSA-N 368.485 2.088 30 50 FEEA C[C@H](C(=O)O)N1CC2(CCC1=O)CCN(Cc1ccc(C#N)cc1)CC2 91986327 LDGIZVIHURVTPC-OAHLLOKOSA-N 355.438 2.236 30 50 FEEA CC1=NO[C@H](C(=O)N[C@]23CCC[C@H]2N(c2snc(C)c2C#N)CC3)C1 1875407567 CTULZSMCQFUIAY-VBQJREDUSA-N 359.455 2.106 30 50 FEEA C=CCOc1ccc(C(=O)NCCN2CCCC[C@H]2CO)cc1OCC 55168675 CMNZRMBURVMPKE-KRWDZBQOSA-N 362.470 2.227 30 50 FEEA C#CCOc1c(OC)cccc1[C@H]1CC(=O)NCc2nc(N(C)C)sc21 65454519 OCYAJSGHCZEMFI-CYBMUJFWSA-N 371.462 2.382 30 50 FEEA COc1cc(F)c(S(=O)(=O)Nc2ccc(C#N)cc2)cc1[N+](=O)[O-] 328596077 QYJLVKSZHISGPH-UHFFFAOYSA-N 351.315 2.415 30 50 FEEA N#Cc1ccc(O[C@@H]2COCC[C@H]2NC(=O)c2nc3ccccc3[nH]2)cc1 220000181 CSQBNOUPVQYZCF-QZTJIDSGSA-N 362.389 2.401 30 50 FEEA N#Cc1cccc(CN2CCN([C@@H]3CCOC4(CCOCC4)C3)CC2)c1 82099228 XPDQEEXVZQBLQI-HXUWFJFHSA-N 355.482 2.404 30 50 FEEA COc1cccc(NC(=O)[C@H](C#N)C(=O)c2cnc(C(F)(F)F)nc2)c1 123839506 IYFQGCRWGSUXMD-GFCCVEGCSA-N 364.283 2.465 30 50 FEEA CN(Cc1cn2c(n1)CCCC2)S(=O)(=O)c1c(F)cc(C#N)cc1F 328644844 ZLNFJVKBOMDGEB-UHFFFAOYSA-N 366.393 2.190 30 50 FEEA CCn1cc(CN2CCN(C(=O)c3ccc(OC)cc3)CC2)cc1C#N 72149236 CGQIGXYZFOSXKP-UHFFFAOYSA-N 352.438 2.346 30 50 FEEA N#Cc1ccc(OC[C@@H](O)CN2CCN(c3ccccc3F)CC2)cc1 20218630 PXTOUAJBYNFTGD-KRWDZBQOSA-N 355.413 2.259 30 50 FEEA N#Cc1ccccc1N1CCN(C(=O)[C@H]2CCc3ccccc3O2)CC1=O 82086997 FQLIPZYAPWCDRY-LJQANCHMSA-N 361.401 2.127 30 50 FEEA Cn1cnc2cc(CN3C[C@H](C#N)[C@]4(C3)C(=O)Nc3ccccc34)ccc21 1875256877 XPMQOQNRXJUQFQ-BTYIYWSLSA-N 357.417 2.419 30 50 FEEA CC(=O)NCc1cc(O[C@H]2CCN(Cc3ccccc3C#N)C2)ccn1 886027463 YRPFUBGKOOFSCV-FQEVSTJZSA-N 350.422 2.243 30 50 FEEA C=CCN(Cc1ccc(C)s1)S(=O)(=O)N1CCC[C@@H](C(=O)O)C1 1506417022 JWFGVEJKSDGCSC-CYBMUJFWSA-N 358.485 2.086 30 50 FEEA Cn1cc(C#N)cc1C(=O)N1CC[C@H](Oc2cccnc2N2CCCC2)C1 328631667 RGGUHKHPNGQVNP-INIZCTEOSA-N 365.437 2.185 30 50 FEEA OC(=Nc1ccc(N2CCOCC2)cn1)c1coc(C2CCOCC2)n1 329928193 XQYDHTWVSVAOCA-UHFFFAOYSA-N 358.398 2.437 30 50 FEEA C=C(C)C[C@@H]1N(c2cccc(OC)c2)C(=O)[C@H]2[C@@H](C(=O)O)[C@H]3C=C[C@]21O3 2218250 NAMJXTOLLRLBNM-YNIGFRRXSA-N 355.390 2.401 30 50 FEEA C#CCN(CC=C)Cc1cnc(S(=O)(=O)CC)n1Cc1ccccc1 20914614 IMCUHBSORHAOHX-UHFFFAOYSA-N 357.479 2.346 30 50 FEEA O=C([C@@H]1CC12CCN(C/C(O)=N/C[C@H]1CCCO1)CC2)N1CCCCC1 329115896 NBEBWFWGOFQCQN-SJORKVTESA-N 363.502 2.237 30 50 FEEA C[C@@H]1CCC[C@H](O[C@H](C)C(=O)NS(=O)(=O)Cc2cccc(C#N)c2)C1 230213270 ZUJOVQNELHMQSL-CPUCHLNUSA-N 364.467 2.488 30 50 FEEA CC[C@H](/N=C(/O)[C@@H]1CCC(=O)N1C)[C@H]1CN(Cc2ccccc2)CCO1 329585961 YHUJQQVHVGEWFX-OKZBNKHCSA-N 359.470 2.243 30 50 FEEA Cc1cc(C)c(C#N)c(N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)n1 20405359 QDJLMBBNIKPDFP-UHFFFAOYSA-N 374.441 2.220 30 50 FEEA Cc1ccc(/C=N/N2C(=O)[C@@H]3[C@H]4C=C[C@@H]([C@@H]5C[C@@H]45)[C@H]3C2=O)cc1[N+](=O)[O-] 253387525 RLGVJTSLMWJIQA-FIPHRYKZSA-N 351.362 2.290 30 50 FEEA CN(Cc1nccs1)[C@@H]1CC12CCN(C(=O)c1c[nH]c(C#N)c1)CC2 275518869 CDFXIOMTIBWPTN-OAHLLOKOSA-N 355.467 2.470 30 50 FEEA Cc1cc(C#N)ccc1S(=O)(=O)Nc1ccccc1SCC(N)=O 170617454 PYAZVMNCFZKJRX-UHFFFAOYSA-N 361.448 2.245 30 50 FEEA C#CCCC1(CCC(=O)N2CCCC[C@@H]2CCn2cc(C(=O)O)nn2)N=N1 2325901108 UKBJKSXLNJSDCX-CQSZACIVSA-N 372.429 2.103 30 50 FEEA C=CCNC(=O)c1cccc(S(=O)(=O)N2CCC[C@H](OCCC)C2)c1 67435413 XAYKZSWKLFGNFY-INIZCTEOSA-N 366.483 2.182 30 50 FEEA O=[N+]([O-])c1ccc(O)c(/C=N/[C@@H]2CCO[C@H](OCc3ccccc3)[C@H]2O)c1 34133076 ZMSXHIFFAZWZHY-HYRJMWSUSA-N 372.377 2.412 30 50 FEEA N#Cc1ccc(O[C@H]2CCN(C(=O)COc3ccc(F)cc3F)C2)nc1 368639763 XOUFVOJOGQNSJM-AWEZNQCLSA-N 359.332 2.290 30 50 FEEA CN(C[C@@H]1CCCN(C)[C@H]1c1ccnn1C)C(=O)c1ccc(C#N)cc1 284633934 QPKPKLWZJLCPEC-PKOBYXMFSA-N 351.454 2.447 30 50 FEEA COc1cc(/C=N/N2C(=O)[C@@H]3[C@H]4C=C[C@@H]([C@@H]5C[C@H]45)[C@H]3C2=O)cc(Cl)c1O 245380629 DOAZLJJZTAJMSX-OHSJQEKOSA-N 372.808 2.441 30 50 FEEA Cn1cnc2cc(CN3C[C@H](C#N)[C@@]4(C3)C(=O)Nc3ccccc34)ccc21 1875256880 XPMQOQNRXJUQFQ-YCRPNKLZSA-N 357.417 2.419 30 50 FEEA Cn1c([C@@H]2CCCN2CC(=O)N[C@@](C)(C#N)C2CC2)nc2c1CCCC2 275569605 FFRUBXQRFZIFLJ-PXNSSMCTSA-N 355.486 2.244 30 50 FEEA CC(=O)Nc1ccc(/C(C)=N/O[C@H]2CCCN(c3cnn(C)c3)C2=O)cc1 170642598 ZZHISRYBUDCTHV-ZFJBLLOBSA-N 369.425 2.315 30 50 FEEA CCOC(=O)CN1C(=O)[C@](O)(CC(=O)/C=C/c2ccco2)c2ccccc21 990089 ALKBHSNXLUVBQJ-XTXLJPNXSA-N 369.373 2.050 30 50 FEEA CCCCCNS(=O)(=O)c1cccc(B2OC(C)(C)C(C)(C)O2)c1 170006282 TVZOONQCBYMASY-UHFFFAOYSA-N 353.293 2.454 30 50 FEEA COCCC[C@@]1(CO)CN(c2nc3ccccc3c(C)c2C#N)CC[C@H]1O 1875250852 MKZXBDFJYYNCTB-CTNGQTDRSA-N 369.465 2.391 30 50 FEEA COC[C@@H](NCc1cc(O)n2ncc(C#N)c2n1)c1ccccc1Cl 2325849981 HXVGLISNMGWAMM-OAHLLOKOSA-N 357.801 2.437 30 50 FEEA C#CCn1c(C(=O)NCCN2C(=O)COc3ccccc32)cc2ccccc21 2325854040 LPRFCIMHWKCCFI-UHFFFAOYSA-N 373.412 2.430 30 50 FEEA COc1nccc(N2CCN(Cc3ccccc3F)[C@@H](CCO)C2)c1C#N 107012758 QYPYAPMKISAPRK-INIZCTEOSA-N 370.428 2.174 30 50 FEEA CCN(C[C@H](C)C#N)C(=O)CN1CCC[C@@H]1c1nc2c(n1C)CCCC2 275988318 OQGQCRXPNQZKEH-CRAIPNDOSA-N 357.502 2.444 30 50 FEEA C=CCNC(=O)c1cc(OC)ccc1OC1CCN(C(=O)C2CC2)CC1 12204966 VTUOJLQLIZITMJ-UHFFFAOYSA-N 358.438 2.391 30 50 FEEA N#Cc1cnn2cc(CCN3CCOCC3)c(-c3ccc(F)cc3)nc12 20218639 IRMARSGHUWGXFG-UHFFFAOYSA-N 351.385 2.282 30 50 FEEA Cc1ccc(C#N)c(N2CCN(C)[C@]3(CCC(=O)N(CC4CC4)CC3)C2)n1 91665805 JIAZOXPXDFXEMV-NRFANRHFSA-N 367.497 2.175 30 50 FEEA C#CCCC1(CCC(=O)N(C)[C@@H]2CC(=O)N(Cc3ccccc3)C2=O)N=N1 1875382074 PTSJHLTXASIEEV-MRXNPFEDSA-N 366.421 2.128 30 50 FEEA CN(CCc1ccccn1)[C@H]1CCCN(C(=O)C2=CC(=O)CC(C)(C)O2)C1 11668046 SQOZSCFOIFMDTQ-KRWDZBQOSA-N 371.481 2.199 30 50 FEEA CC(C)(C)OC(=O)N1CC(c2cc(B3OC(C)(C)C(C)(C)O3)on2)C1 710044201 CRCMTFREBAJNDE-UHFFFAOYSA-N 350.224 2.308 30 50 FEEA C=CCNc1nc2c(C)cccn2c(=O)c1/C=C1\SC(=S)N(C)C1=O 13777531 XFENFKZJYQCHDE-XFXZXTDPSA-N 372.475 2.432 30 50 FEEA C[C@@H]1CN2C[C@H](NC(=O)CC3=C(c4ccccc4)CCC3=O)C[C@H]2CO1 1857727088 KKYOGZCAYWARHF-OIISXLGYSA-N 354.450 2.171 30 50 FEEA COC[C@](C)(C#N)NC(=O)c1csc(I)c1 137178475 JQMCSDDBEBUCQM-JTQLQIEISA-N 350.181 2.011 30 50 FEEA CCn1c(C2CCN(Cc3ccc(C#CC(C)(C)O)cc3)CC2)n[nH]c1=O 65488404 CJYHYAVOKULFMJ-UHFFFAOYSA-N 368.481 2.093 30 50 FEEA CCCCCNS(=O)(=O)c1ccccc1B1OC(C)(C)C(C)(C)O1 170005312 GGUHDCRMZXCPKE-UHFFFAOYSA-N 353.293 2.454 30 50 FEEA COc1cc(/C=N/NC(N)=S)ccc1OCc1ccc(Cl)nc1 4089626 BJPNNELALOCMFI-UFWORHAWSA-N 350.831 2.490 30 50 FEEA C=CCNc1ncnc2c1CCN(C(=O)c1ccc3c(c1)OCO3)CC2 72475678 AMVDZGYYTGGWAT-UHFFFAOYSA-N 352.394 2.044 30 50 FEEA N#Cc1ccc(N2CCC(C(=O)N3C[C@@H]4[C@@H](C3)[C@H]3C=C[C@H]4O3)CC2)c(F)c1 333845369 OERGVXNYUGRYMY-XNFNUYLZSA-N 367.424 2.326 30 50 FEEA CCC(=O)N1CCC2(CC1)CN(c1nc3c(cc1C#N)CCCC3)CCO2 952972797 JEZBQBTUULQBAP-UHFFFAOYSA-N 368.481 2.440 30 50 FEEA C=C(Cl)CCC(=O)N(C)C[C@H]1CN(c2cc(CC)ncn2)CCO1 2325867550 ZTJCIDGQQKFZNR-HNNXBMFYSA-N 352.866 2.235 30 50 FEEA COc1ccccc1[C@H](O)Cn1ccc2nc(OC)c(C#N)cc2c1=O 67787274 SQKNWDKHFUQJGJ-MRXNPFEDSA-N 351.362 2.019 30 50 FEEA Cc1ccc(S(=O)(=O)OCCOCCNC(=O)OC(C)(C)C)cc1 147204156 JVGNPGXHRHJTFJ-UHFFFAOYSA-N 359.444 2.242 30 50 FEEA O/C(=N/Cc1cccc(-c2ccccn2)c1)N1CCN2CCOC[C@H]2C1 329792709 VFGFLEQSOIAKOW-GOSISDBHSA-N 352.438 2.179 30 50 FEEA COc1ccc(C(=O)/C=C/Nc2ccc(S(N)(=O)=O)cc2)cc1OC 18099428 ATRMMZPTDQVPTC-MDZDMXLPSA-N 362.407 2.160 30 50 FEEA CC(C)(O)C#Cc1ccc(CN2CCN([C@H]3CN4CCC3CC4)CC2)cc1 65395832 OXUFSMCLCPTYTP-QFIPXVFZSA-N 367.537 2.021 30 50 FEEA CCCc1cc(C(=O)N2CCN(Cc3ccccc3C#N)CC2)n(C)n1 82127587 HSRRDGVXNJXIRW-UHFFFAOYSA-N 351.454 2.202 30 50 FEEA N#Cc1cccc(CS(=O)(=O)NC(=O)C[C@@H]2OCCc3ccccc32)c1 115911171 PDHKUGFBNUBIJG-SFHVURJKSA-N 370.430 2.208 30 50 FEEA CCN1CCC[C@@H](CN(C)C(=O)C2(/C(O)=N/C)CC2)[C@@H]1c1cnn(C)c1 328626165 LLAOMJQUUGHLQL-GOEBONIOSA-N 361.490 2.018 30 50 FEEA COc1cnc(N(C)C(=O)C[C@@H]2CCCN(/C(O)=N/CC(C)C)C2)nc1 330848483 PAPJKRWFVZVXNU-AWEZNQCLSA-N 363.462 2.120 30 50 FEEA CCOc1ccc2nc(N3C[C@H](C(=O)N4CC(C#N)C4)CC3=O)sc2c1 1857728479 CTYRCAIQZJUXJD-GFCCVEGCSA-N 370.434 2.030 30 50 FEEA O=C(C[C@@H]1S/C(=N/N=C/c2cccnc2)NC1=O)Nc1ccccc1 5650077 ZFKXGXYATMMFQR-YRIIZNAFSA-N 353.407 2.032 30 50 FEEA CC1(C)OB(c2ccc(N3C(=O)[C@H]4[C@H]5C=C[C@@H](C5)[C@H]4C3=O)cc2)OC1(C)C 169979855 RMWHXARBVKENMV-MGBSGCIJSA-N 365.238 2.297 30 50 FEEA C=CC(C)(C)c1[nH]c2cc(O)ccc2c1C[C@H]1NC(=O)C2=CCCN2C1=O 2332918176 KMHDZIDQBDJJCJ-MRXNPFEDSA-N 365.433 2.494 30 50 FEEA Cn1c(N[C@H]2CC(C)(C)CCc3ccccc32)c(C#N)c(=O)n(C)c1=O 225644862 FIMKNVIKDNAKHJ-INIZCTEOSA-N 352.438 2.471 30 50 FEEA N#Cc1cc2c(=O)n(CC[C@H]3CCN(Cc4ccccc4)C3)ccc2[nH]c1=O 67562078 VSNMSDHXDLMQRO-QGZVFWFLSA-N 374.444 2.474 30 50 FEEA Cc1ccc(OCc2nc(C#N)c(NCCN3CCOCC3)o2)c(C)c1 28251210 DRPQQRXIABDPOU-UHFFFAOYSA-N 356.426 2.486 30 50 FEEA CCOc1ccc(S(=O)(=O)N/N=C(/C)c2cc(O)ccc2O)cc1 17072687 YDFFJUOUUJGKFP-BOPFTXTBSA-N 350.396 2.199 30 50 FEEA CC(C)(O)C#Cc1ccc(C(=O)N2CCN(c3ccc(Cl)cn3)CC2)o1 952980970 LROBUYHPUONUFJ-UHFFFAOYSA-N 373.840 2.413 30 50 FEEA N#Cc1cc(CN2C(=O)N[C@@]3(CCOc4ccccc43)C2=O)ccc1F 157983277 REIFERFZGHXAKS-LJQANCHMSA-N 351.337 2.427 30 50 FEEA CC(C)Oc1ccc(CCNC(=O)N2CCn3nc(C#N)cc3C2)cc1 426550649 PUEDKNXILJQNLU-UHFFFAOYSA-N 353.426 2.310 30 50 FEEA CC(C)c1cc(C(=O)N2CCN(c3ccccc3C#N)CC2)nc(N)n1 952861010 WHMWPBFMUKYHBG-UHFFFAOYSA-N 350.426 2.016 30 50 FEEA Cc1nc(C#N)cc(=NC[C@@H]2CC(C)(C)CC[C@@H]2NC(=O)[C@@H]2C[C@@H]2C)[nH]1 1875408026 MRAJFIXHYKLHKP-SDNTUTLCSA-N 355.486 2.458 30 50 FEEA Cc1cc(C#N)ccc1S(=O)(=O)N1C[C@@H](CO)[C@@H](c2ccsc2)C1 249456245 NPUZSJNDCSWTIV-JKSUJKDBSA-N 362.476 2.325 30 50 FEEA COC[C@H](/N=C(/O)N(C)C[C@@H]1CCCN(C)[C@H]1c1cnn(C)c1)C1CC1 328625967 LFZMKYQFTLMYOK-RYQLBKOJSA-N 363.506 2.074 30 50 FEEA O=C1CCC(c2ccccc2)=C1CC(=O)N1C[C@@H]2CCOC[C@]2(CO)C1 1857669575 BGOVCNULZISKBN-HRAATJIYSA-N 355.434 2.051 30 50 FEEA COCc1noc(CN2CCC[C@H](COc3ccc(C#N)cc3OC)C2)n1 1875248277 HSCBCABLDGTEBX-HNNXBMFYSA-N 372.425 2.387 30 50 FEEA C#CCN1C(=O)[C@](O)(CC(=O)c2ccc([N+](=O)[O-])cc2)c2ccccc21 915181 NJUDMHGTDMDXHM-IBGZPJMESA-N 350.330 2.035 30 50 FEEA Cc1ccccc1[C@@H]1[C@@H](C(=O)NCc2cccc(C#N)c2)OCC(=O)N1C 2356169316 PPQFVQIKDRZNGK-UXHICEINSA-N 363.417 2.081 30 50 FEEA C[C@H](Cc1ccc(F)c(Br)c1)/N=C(/O)N[C@H]1CC(=O)N(C)C1 331139879 WSNRXHWNLRAUQL-KOLCDFICSA-N 372.238 2.254 30 50 FEEA O=C1C=CC(=Cc2sc(=S)n([C@H]3CCS(=O)(=O)C3)c2O)C=C1 334158357 IWQXLCNXFUTLIC-JTQLQIEISA-N 355.462 2.423 30 50 FEEA COC(=O)[C@H]1CCN2C(=O)N(c3ccc(OC(C)C)c(C#N)c3)C(=O)[C@@H]2C1 278203352 SFGSNABOHFRMLB-WFASDCNBSA-N 371.393 2.066 30 50 FEEA CN1C[C@@H]2CC[C@H](CC1=O)N2C(=O)CC1=C(c2cccs2)CCC1=O 67727538 ACDANHWPZCLXHW-OLZOCXBDSA-N 358.463 2.476 30 50 FEEA C[C@@H]1CCCC[C@@H]1OCC(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N 252511557 HYNDDHUWTOIQJI-WCVJEAGWSA-N 365.474 2.457 30 50 FEEA COc1cc(CN2CCC[C@@](C)(C#N)C2)cc(Cl)c1OCC(N)=O 612406981 YJARZSFQNPGBCF-KRWDZBQOSA-N 351.834 2.338 30 50 FEEA CC1=C(C(=O)N[C@H]2C[C@@H]3CN(c4snc(C)c4C#N)C[C@@H]3C2)CCO1 1875406125 XPJSXICFPOAFIJ-WDNDVIMCSA-N 358.467 2.349 30 50 FEEA COc1cc(Cl)cc(C(=O)NS(=O)(=O)c2sccc2C#N)c1 2325827692 NJZYZQLYHLKVFE-UHFFFAOYSA-N 356.812 2.400 30 50 FEEA C=CC[C@@]1(C(=O)O)CCCN(S(=O)(=O)N(C)Cc2ccccc2)C1 91551569 NUTYHLVCEFUYBE-QGZVFWFLSA-N 352.456 2.106 30 50 FEEA COc1ccc(/C=N/N2C(=O)[C@H]3[C@H]4C=C[C@@H]([C@H]5C[C@H]54)[C@H]3C2=O)cc1OC 239235688 WMVSNTSUKSHDGJ-UQBFBZJBSA-N 352.390 2.091 30 50 FEEA C=CCN(CC=C)[C@H]1CCc2c(c(C(=O)N3CCOCC3)nn2CC=C)C1 14539228 HSDQMHRCRUWDTF-KRWDZBQOSA-N 370.497 2.073 30 50 FEEA N#Cc1cccnc1N1C[C@@H]2[C@H](CNC(=O)c3ccccc3)[C@H]3CC[C@]2(C1)O3 1857739417 SLDDHUQQQWNFBG-JZJXAQOMSA-N 374.444 2.367 30 50 FEEA Cn1cc(Oc2ccccc2C(=O)N2CCN(C3CC3)[C@H](C#N)C2)cn1 374537777 NTYZTZPMTYAZBU-OAHLLOKOSA-N 351.410 2.025 30 50 FEEA CN(C)c1ccc(N[C@H]2CCCN(C(=O)c3cc(C#N)cn3C)CC2)cn1 328638505 PBUVWSBYXDAGLQ-INIZCTEOSA-N 366.469 2.465 30 50 FEEA CC(C)Cc1nc(C(=O)NS(=O)(=O)c2cccc(F)c2C#N)cs1 160081909 RMYRYLTXEUTXHQ-UHFFFAOYSA-N 367.427 2.471 30 50 FEEA Cc1nccn1Cc1nnc([C@H]2CCCN(c3cc(C#N)ccn3)C2)n1C 95383732 HTFAGESUINFLQC-INIZCTEOSA-N 362.441 2.019 30 50 FEEA CCSc1ncc(CN2CCN(c3ccc(C#N)cc3)C(=O)C2)cn1 82107834 WDNVFRVLFDORST-UHFFFAOYSA-N 353.451 2.309 30 50 FEEA CO[C@H](C(=O)NC1CCN(c2ncccc2C#N)CC1)c1ccccc1 299762323 UFPNFDHYQWJRDZ-SFHVURJKSA-N 350.422 2.426 30 50 FEEA CC(=O)Nc1ccc(/C(C)=N/O[C@H]2CCCN(c3ccn(C)n3)C2=O)cc1 170642594 NUZFDVXCCAXDIQ-KOWBDXASSA-N 369.425 2.315 30 50 FEEA CNS(=O)(=O)c1cc(C(=O)OCCCC(C)(C)C#N)ccc1OC 170615755 KASPARWAPLJQLY-UHFFFAOYSA-N 354.428 2.090 30 50 FEEA C=CCn1c(CN2CCOCC2)nnc1SCC(=O)c1ccccc1 19852498 PINIIPPDVLMULI-UHFFFAOYSA-N 358.467 2.271 30 50 FEEA CN1C(=O)CC[C@H](/C(O)=N/[C@@H]2CCCS(=O)(=O)C2)[C@H]1c1ccccc1 329694924 CVUCCXBGROZZLJ-HLLBOEOZSA-N 364.467 2.130 30 50 FEEA C=CCN1CC2(CCC1=O)CCN(C(=O)C[C@@H](N)c1ccccc1)CC2 91486966 AFYMSNHPXUFVAS-GOSISDBHSA-N 355.482 2.494 30 50 FEEA C=CCOc1cccc(C(=O)N2CCC(C(N)=O)(N3CCCCC3)CC2)c1 820494566 NMUQYVHGCHHFTC-UHFFFAOYSA-N 371.481 2.197 30 50 FEEA C#CCN(C)CCCNC(=O)N1CC(C)(C)[C@H]1c1nccn1CC1CC1 952894363 ZSYBNDGTJZMKFV-QGZVFWFLSA-N 357.502 2.341 30 50 FEEA C=CCc1ccccc1OCCN(C)C(=O)C[C@@H]1C[C@@H](C)NC(=S)N1 55385871 CPQANENHIGPOMF-ZBFHGGJFSA-N 361.511 2.267 30 50 FEEA N#Cc1cccnc1NCc1cc2n(n1)CCCN(C(=O)C1CCC1)C2 82136730 DEEVZCFAQYFHAG-UHFFFAOYSA-N 350.426 2.294 30 50 FEEA N#Cc1ccccc1N1CCN(C(=O)[C@@H](O)c2ccc(Cl)cc2)CC1=O 82107219 PKMSPHAQPZYHKD-SFHVURJKSA-N 369.808 2.120 30 50 FEEA C[C@H](C(=O)NC1(C#N)CCCCC1)N1CCN(c2cncc(F)c2)CC1 271002787 YZFFCMYFZFDGRO-OAHLLOKOSA-N 359.449 2.074 30 50 FEEA Cn1c(SCC(=O)Nc2ccc(C#N)cc2)nnc1-c1cccnc1 9095991 PFRGPKOAYURRCZ-UHFFFAOYSA-N 350.407 2.480 30 50 FEEA C[C@H](CNC(=O)N1CCO[C@H](C#N)C1)Oc1ccccc1Br 175977921 NHGVJUCQKZHGQG-VXGBXAGGSA-N 368.231 2.150 30 50 FEEA COC(=O)c1ccc(CSC(=S)N[C@H]2CC[S@@+](=O)(O)C2)cc1 334158548 ULGNXXZCZMVHNU-LBPRGKRZSA-P 360.502 2.326 30 50 FEEA C=CCCCS(=O)(=O)N1CCC(c2nccc(-c3cncnc3)n2)CC1 952891914 ASKQURGTZDHRSS-UHFFFAOYSA-N 373.482 2.409 30 50 FEEA N#Cc1c[nH]c2c(F)ccc(F)c2c1=N[C@@H]1C[C@@H](Cn2ccnc2)C[C@H]1O 1875398345 MDTPOCLFNGXZPI-HFBAOOFYSA-N 369.375 2.255 30 50 FEEA CC(C)(C(=O)Nc1cc(N2CCNCC2)ccn1)c1cc(F)cc(C#N)c1 1875405211 AFWMUHSILXZDIJ-UHFFFAOYSA-N 367.428 2.418 30 50 FEEA C=C(C)CN(CC)C(=O)C[C@H]1C(=O)NCCN1Cc1ccc(OC)c(C)c1 15064767 FAKFFYKLSUQLCA-SFHVURJKSA-N 373.497 2.119 30 50 FEEA COc1cc(/C=N/n2c(S)nnc2C(F)(F)F)cc(OC)c1OC 8227938 BVXJUZARXFRZHU-UBKPWBPPSA-N 362.333 2.494 30 50 FEEA COCCS(=O)(=O)c1ccc(C/N=C(/O)N2CC3(CCCC3)C2)cc1 330265676 ZNMOEWIQVPYUAR-UHFFFAOYSA-N 366.483 2.397 30 50 FEEA N#Cc1ccc(C[C@@H](NS(=O)(=O)c2ccc(Cl)cc2)C(=O)O)cc1 4085154 XCWGEDGWRDSTIR-OAHLLOKOSA-N 364.810 2.186 30 50 FEEA 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(Br)o1 253390216 KWYWMVFAEKHVOI-SIDVWHHWSA-N 361.195 2.429 30 50 FEEA C#CCCC1(CCC(=O)N2CCN(C(=O)c3cccnc3Cl)CC2)N=N1 1875288823 FOVKCBARPLKJQY-UHFFFAOYSA-N 373.844 2.375 30 50 FEEA N#C[C@@]1(CO)CC12CCN(C[C@@H](O)COc1cccc(Cl)c1)CC2 1875281746 UOXXLNAYMGYBRU-CRAIPNDOSA-N 350.846 2.068 30 50 FEEA N#Cc1nccnc1N[C@@H]1C[C@H](Cn2ccnc2-c2ccccc2)C[C@H]1O 1875398644 ZWTWYTTXRKLBDZ-YXJHDRRASA-N 360.421 2.463 30 50 FEEA C=CCn1c(SCCCc2ccccc2)nc2c1c(=O)[nH]c(=O)n2C 12647926 BYDCIBXURIFARK-UHFFFAOYSA-N 356.451 2.334 30 50 FEEA Cc1nc(CN2C[C@@H](F)C[C@H]2C/N=C(/O)Nc2ccnn2C)cs1 328639041 PJBRCSSUXLAQKP-AAEUAGOBSA-N 352.439 2.124 30 50 FEEA OC(=Nc1cnn(C/C(O)=N/C2CCCC2)c1)[C@H]1CCc2nn[nH]c2C1 328983754 YYJUDRVSLPJOTR-NSHDSACASA-N 357.418 2.293 30 50 FEEA C=CCn1c(S)nc2cc(C(=O)N[C@H]3CC[C@H](CO)CC3)ccc2c1=O 245963313 SVSINDPYDDVHEU-MQMHXKEQSA-N 373.478 2.152 30 50 FEEA C=CCOc1ccccc1NC(=O)N1CCC[C@@H](c2nnc(CO)n2C)C1 299788484 PUOPADNQHKQFAT-CQSZACIVSA-N 371.441 2.284 30 50 FEEA Cc1ccc(S(=O)(=O)OCCOS(=O)(=O)c2ccc(C)cc2)cc1 1577346 LZIPBJBQQPZLOR-UHFFFAOYSA-N 370.448 2.414 30 50 FEEA biogenic,in-vitro C[C@H]1CN(C[C@@H]2CCCN2C(=O)[C@H](C)Oc2ccc(C#N)cc2)C[C@@H](C)O1 229687655 RHPHOYVYFLXRPW-ZMMAXQRCSA-N 371.481 2.426 30 50 FEEA C=CCN(C)C(=O)[C@@H]1[C@@H]2C=C[C@@]3(CN(Cc4ccc(C)c(C)c4)C(=O)[C@@H]13)O2 77423807 SOPFNTKEHBCJOT-JYLXEMOASA-N 366.461 2.230 30 50 FEEA CN(C)C(=O)COC[C@H]1CN(c2ccc(C#N)c(Cl)c2)CC(C)(C)O1 285007135 MCYPIHFPKHQWCN-OAHLLOKOSA-N 365.861 2.300 30 50 FEEA Cc1cc(C#N)ccc1C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O 192120844 XMIJKMBCHACQFF-LJQANCHMSA-N 358.401 2.269 30 50 FEEA COCCN1CN(/C(O)=N/[C@H]2CCCOc3cc(Cl)ccc32)CC1=O 328741229 NISNHZXSMIXATA-AWEZNQCLSA-N 367.833 2.216 30 50 FEEA Cn1c(Cn2ccnc2)nnc1C1CCN(Cc2ccc(C#N)cc2)CC1 91830181 BDIZAKBXWHLPGZ-UHFFFAOYSA-N 361.453 2.311 30 50 FEEA C=CCc1cc(CN2CC[C@H]3[C@H](CCC(=O)N3CCN)C2)ccc1OC 215320009 YGCZITJAXVNVOC-MOPGFXCFSA-N 357.498 2.195 30 50 FEEA C[C@H]1CN2C[C@@H](NC(=O)CC3=C(c4ccccc4)CCC3=O)C[C@H]2CO1 1857715287 KKYOGZCAYWARHF-XIRDDKMYSA-N 354.450 2.171 30 50 FEEA C=CCn1cc(CNCc2noc(-c3ccc4c(c3)OCO4)n2)c(C)n1 55167138 KYIAEXOKINZCJX-UHFFFAOYSA-N 353.382 2.446 30 50 FEEA C=CCn1c(COc2cccc3cccnc23)nnc1SCC(N)=O 1068730 QPEKJXCZIYDSND-UHFFFAOYSA-N 355.423 2.169 30 50 FEEA CN(Cc1nccc(N)n1)[C@H]1CCCN(/C(O)=N/Cc2ccccc2)CC1 328640868 QHFZRSDQARZNHQ-KRWDZBQOSA-N 368.485 2.459 30 50 FEEA N#Cc1cccnc1N1CCC(c2n[nH]c(=O)n2Cc2ccccc2)CC1 71416367 SDCUUTVMUFJUOG-UHFFFAOYSA-N 360.421 2.270 30 50 FEEA Cc1cc(N2C[C@H](C(C)C)[C@@H](NC(=O)C3(C#N)CCOCC3)C2)ccn1 91965508 PKJCTVAAQHKFNV-MSOLQXFVSA-N 356.470 2.287 30 50 FEEA Cc1nn2cc(CNC(=O)c3ccc(C#CC(C)(C)O)cc3)nc2s1 952987413 NMSVOQFGRAEFHB-UHFFFAOYSA-N 354.435 2.152 30 50 FEEA CN(C)CCCN1C(=O)C(O)=C(C(=O)c2ccco2)[C@@H]1c1cccnc1 19884725 OBPKEJISUCALMU-INIZCTEOSA-N 355.394 2.205 30 50 FEEA Cn1cc(C#N)cc1C(=O)N1CCC[C@@H](CNC(=O)Cc2cccs2)C1 952874128 WYOURZRKOJJUEK-AWEZNQCLSA-N 370.478 2.169 30 50 FEEA COC(=O)C1=C(N)OC2=C(C(=O)CCC2)[C@H]1c1cc(OC)ccc1OC 1139890 BAKHJTQCBHPITR-OAHLLOKOSA-N 359.378 2.168 30 50 FEEA CN1CCc2ccc(N[C@H]3CCN(c4sccc4C#N)C3=O)cc2C1=O 150810200 MKEWYSNBHGKJLL-INIZCTEOSA-N 366.446 2.465 30 50 FEEA CC(=O)N1C[C@H](NC(=O)c2ccc(F)c(C#N)c2)CC[C@H]1C(F)(F)F 886066001 FBBHCCGBFSZTJD-OCCSQVGLSA-N 357.307 2.369 30 50 FEEA CNC(=O)CN1c2ccccc2C(=O)N(C)[C@@H]1c1ccc(C#N)cc1F 448100880 JSNHGNUALNYIRA-SFHVURJKSA-N 352.369 2.034 30 50 FEEA CC(C)NC(=O)[C@H](C#N)C(=O)[C@H]1COc2ccc(Br)cc21 136666142 SIVJEYQYHJSOGJ-NEPJUHHUSA-N 351.200 2.159 30 50 FEEA C#CCCC1(CCC(=O)N(C)C[C@@H]2C[C@H](F)CN2c2ccncn2)N=N1 952880089 IZWOLOOBBDPJOB-GJZGRUSLSA-N 358.421 2.208 30 50 FEEA Cn1nccc1[C@@]1(O)C[C@@H]2CC[C@H](C1)N2c1c(C#N)cnc2cnccc12 1875395033 HNFJHRVSXBQHIL-QVDMIQRCSA-N 360.421 2.254 30 50 FEEA C=CCn1nc(C(=O)N2CCCCCC2)c2c1CC[C@@H](N1CCOCC1)C2 14530574 XDNPAXKCZYWQCV-QGZVFWFLSA-N 372.513 2.275 30 50 FEEA COc1cc(/C=N/NC(N)=S)ccc1OC(=O)/C=C/c1ccccc1 2521220 IJQNXDWCEMMTHR-NTPQCHGPSA-N 355.419 2.481 30 50 FEEA C#CCCC1(CCNC(=O)[C@]2(Cc3ccccc3)CCN(C)C2=O)N=N1 2325891526 MTIHYMPSPFSWQH-LJQANCHMSA-N 352.438 2.159 30 50 FEEA Cc1ccc(N=C(O)N2CCC[C@H](N(C)Cc3nccc(N)n3)CC2)cn1 328629004 HTFKOUFCCNRXFV-INIZCTEOSA-N 369.473 2.294 30 50 FEEA COC(=O)c1n[nH]cc1-c1c(C#N)c(N)nc2c1CCc1cc(O)ccc1-2 71738518 SHSKTVPICKTGIV-UHFFFAOYSA-N 361.361 2.183 30 50 FEEA CC(=O)c1cc(C#N)c(SCC(=O)Nc2ccc(C(N)=O)cc2)nc1C 2863411 PRBDBRWDELOYFY-UHFFFAOYSA-N 368.418 2.294 30 50 FEEA N#Cc1cc(NC(=O)c2cccnc2S)ccc1N1CCC(O)CC1 150828100 KXCSNOUELBDDRA-UHFFFAOYSA-N 354.435 2.455 30 50 FEEA CN1CCN(C/C(O)=N/CCc2nc(C3CCCCC3)cs2)CC1=O 329609409 CXBXODRMPULVDV-UHFFFAOYSA-N 364.515 2.464 30 50 FEEA COCCn1cc([C@H]2OCC[C@@H]2NCc2ccc(C#N)cc2OC)cn1 888076693 JBPGTSZYBLCZLE-PKOBYXMFSA-N 356.426 2.030 30 50 FEEA CCn1cc([C@H]2OCC[C@@H]2/C(O)=N/C2CCN(c3nccn3C)CC2)cn1 328720360 GRXGJJPKUBYNCK-DLBZAZTESA-N 372.473 2.340 30 50 FEEA COC(=O)c1n[nH]cc1-c1cc(-c2ccc(C(=O)O)cc2)nc(N)c1C#N 71416198 SSBIWQOGHLLKHJ-UHFFFAOYSA-N 363.333 2.077 30 50 FEEA CNC(=O)c1ccc([C@@H]2CCCCN2C/C(O)=N/C2CCOCC2)n1C 328651961 WFHABHQVIWVFEB-INIZCTEOSA-N 362.474 2.047 30 50 FEEA C#CCCC1(CCC(=O)NCc2ccc(N3CCN(C)CC3)cc2)N=N1 2325886340 OMRGKRRJTPMAFU-UHFFFAOYSA-N 353.470 2.410 30 50 FEEA COc1ccccc1-n1cc(Cn2ccc3nc(O)c(C#N)cc3c2=O)cn1 67909030 CXZVDCBMKODRLZ-UHFFFAOYSA-N 373.372 2.216 30 50 FEEA N#Cc1c(N)nc2c(c1-c1cnc(NCc3ccccc3)nc1)CNCC2 72137010 VXSLCKAJCSAPHC-UHFFFAOYSA-N 357.421 2.250 30 50 FEEA C#CCCC1(CCNC(=O)c2c(C)nn(C)c2OC[C@H]2CCCCO2)N=N1 2325891225 YZUIDACYMHEGOD-OAHLLOKOSA-N 373.457 2.372 30 50 FEEA Cc1n[nH]c(SCC(=O)Nc2sc3c(c2C#N)CCCC3)nc1=O 18094124 ZISBQMGLRRXYKE-UHFFFAOYSA-N 361.452 2.016 30 50 FEEA aggregator Cc1noc(CCCC(=O)N2CCN(Cc3ccc(C#N)cc3)C[C@H]2C)n1 170596490 QDUYNVARPVNCJH-OAHLLOKOSA-N 367.453 2.305 30 50 FEEA COc1ccc2c(c1)[C@@]1(CCO2)C[C@@H]1C(O)=Nc1c(C(N)=O)n[nH]c1C 328608561 ZPUSZBBEXFETMU-KZULUSFZSA-N 356.382 2.154 30 50 FEEA COc1ccc(N[C@@H]2CCCN(C(=O)c3cc(C#N)c(=O)[nH]c3C)C2)cc1 72168817 NFNMURSUADSKNG-MRXNPFEDSA-N 366.421 2.280 30 50 FEEA Cn1c(Cn2ccnc2)nnc1C1CCN(Cc2ccccc2C#N)CC1 91680331 GYPRIMSFFBZBAZ-UHFFFAOYSA-N 361.453 2.311 30 50 FEEA COCCN1CN(/C(O)=N/[C@@H]2CCCOc3cc(Cl)ccc32)CC1=O 328741230 NISNHZXSMIXATA-CQSZACIVSA-N 367.833 2.216 30 50 FEEA Cc1cc(C)c(C#N)c(N2CCC[C@](O)(Cc3nc(C4CC4)no3)C2)n1 818144135 COWWKZJEXWZSSV-IBGZPJMESA-N 353.426 2.405 30 50 FEEA CC1(C)OB(C2CCN(C(=O)[C@@H]3CC(=O)N(C4CC4)C3)CC2)OC1(C)C 864235495 ZWQJOASLRFAKQF-CYBMUJFWSA-N 362.279 2.082 30 50 FEEA C#C[C@@](C)(CC)NC(=O)[C@H](C)n1nc([N+](=O)[O-])c(Br)c1C 1073223 LUDDUTYTPRRTAB-ZANVPECISA-N 357.208 2.341 30 50 FEEA CCn1c([C@H]2OCC[C@H]2C)nn(CCOc2ccc(C#N)cc2OC)c1=O 328648069 UJOZPICJSJUBHT-DYVFJYSZSA-N 372.425 2.121 30 50 FEEA Cn1cc(/C(O)=N/CC2CCN(C(=O)[C@H]3CCc4cccnc43)CC2)cn1 329385960 PMVPRQPUKZSDDH-KRWDZBQOSA-N 367.453 2.088 30 50 FEEA O=C1[C@H]2[C@H]3C=C[C@@H]([C@H]4C[C@H]43)[C@H]2C(=O)N1/N=C/c1cc2c(cc1Cl)OCO2 253390210 JTXWSZAFELZYOI-NOMPFNKBSA-N 370.792 2.456 30 50 FEEA N#Cc1cc2n(n1)CCN(C(=O)[C@H](c1ccc(F)cc1)N1CCCCC1)C2 952982669 BXZLOCFQKAPYSO-IBGZPJMESA-N 367.428 2.463 30 50 FEEA COc1cc(C(=O)NC[C@@H]2CCCN(c3cccc(C#N)n3)C2)ccn1 824852106 VBWTUJNQWDHQNR-AWEZNQCLSA-N 351.410 2.003 30 50 FEEA N#Cc1ccc(CN(C(=O)CNC(=O)Cc2ccc(O)cc2)C2CC2)cc1 274267105 YTTWCZAHHHFABO-UHFFFAOYSA-N 363.417 2.114 30 50 FEEA COc1cc(OC)c(OC)cc1/C=N/NS(=O)(=O)c1ccc(C)cc1 1215278 JQBVPXYDPMLIKK-WOJGMQOQSA-N 364.423 2.333 30 50 FEEA C=C(C)Cn1c(=O)c2c(nc3n(-c4cccc(C)c4)c(C)cn23)n(C)c1=O 12374090 IYZUBSFVPXDDKI-UHFFFAOYSA-N 363.421 2.332 30 50 FEEA N#Cc1cccnc1N1CCC(N2CCC[C@H](C(=O)N3CCCC3)C2)CC1 71730437 LQUBFTKTVGVWIF-SFHVURJKSA-N 367.497 2.256 30 50 FEEA CCNc1nc(C)c(C(=O)N2CCN(c3ccc(C#N)cc3)C(=O)C2)s1 77379548 XQSKRRKOEVGHSV-UHFFFAOYSA-N 369.450 2.244 30 50 FEEA C=C(C)COc1ccc(NC(=O)CN2CCN(c3ncccn3)CC2)cc1 952989145 QRZRWDPMDVXNNM-UHFFFAOYSA-N 367.453 2.192 30 50 FEEA CC(=O)Nc1cccc(/C(C)=N/O[C@H]2CCCN(c3cnn(C)c3)C2=O)c1 170642608 CSFSAVHIHYQXSN-ZFJBLLOBSA-N 369.425 2.315 30 50 FEEA Cc1nn(C)c(C)c1C[C@@H](C)C(=O)N1CC(Oc2ccc(C#N)cc2)C1 130835462 UVZLABSIZKSQLS-CYBMUJFWSA-N 352.438 2.377 30 50 FEEA C#CCCCS(=O)(=O)Nc1nc2n(c1C(=O)OC(C)(C)C)CCCC2 864097085 ZEPAPGUSCCTDCW-UHFFFAOYSA-N 367.471 2.330 30 50 FEEA CS(=O)(=O)c1ccc(C/N=C(/O)N2CCOCC3(CC3)C2)cc1Cl 330234441 GKNZVIYXBOGFCM-UHFFFAOYSA-N 372.874 2.270 30 50 FEEA C#CCCC1(CCC(=O)N2CCC3(CC2)NC(=O)C2(CCCCC2)N3)N=N1 2325892168 CNKLAHQMNGWJOP-UHFFFAOYSA-N 371.485 2.083 30 50 FEEA CCCS(=O)(=O)N1CCCC[C@H]1/C(O)=N/Cc1nc2cccnc2[nH]1 328714430 DBXFJPRUNWWFEQ-ZDUSSCGKSA-N 365.459 2.009 30 50 FEEA C=CCC1(CC=C)CCCN1C(=O)C[C@@H]1C(=O)NCCN1Cc1ccoc1 59429733 SJTZZYLDJKUYOM-GOSISDBHSA-N 371.481 2.484 30 50 FEEA COCc1nc([C@H]2CN(C(=O)c3ccc(C#N)cc3)C[C@@H]2C2CC2)n[nH]1 952849141 YXSPTNWEJULWLE-CVEARBPZSA-N 351.410 2.089 30 50 FEEA C=CCC(=O)N1CCC[C@H](N2CCN(Cc3ccc4c(c3)OCO4)CC2)C1 19745861 LSQAANTXMAFLQP-SFHVURJKSA-N 371.481 2.100 30 50 FEEA N#C[C@@H]1CNCC12CC(c1nc(-c3ccc(N4CCOCC4)cc3)no1)C2 904088862 POEBVTIFKOQRQE-LFDOHDQPSA-N 365.437 2.180 30 50 FEEA C=CCn1c(C)nnc1SCC(=O)Nc1ccc(N2CCOCC2)cc1 6129000 CTWCHYIJGCUNCV-UHFFFAOYSA-N 373.482 2.340 30 50 FEEA C=CCN(CC=C)Cc1cnc(S(=O)(=O)CCC)n1C[C@@H]1CCCO1 20450508 JJODTXAIGBESSQ-KRWDZBQOSA-N 367.515 2.420 30 50 FEEA Cc1nn(C(F)F)c(C)c1CC(=O)N1CCN(c2ncccc2C#N)CC1 299244719 QCGGDEAJHDVGQN-UHFFFAOYSA-N 374.395 2.053 30 50 FEEA CC1=NO[C@H](C(=O)N[C@@]23CCC[C@H]2N(c2snc(C)c2C#N)CC3)C1 1875407566 CTULZSMCQFUIAY-JJRVBVJISA-N 359.455 2.106 30 50 FEEA COC(=O)CCC(=O)C1=C(NCc2nc3ccccc3[nH]2)CCCC1=O 100168122 WKPHCWPHSFJYEK-UHFFFAOYSA-N 355.394 2.182 30 50 FEEA Cn1c(CN2CCCC2)nnc1[C@H]1CCCN(c2cccc(C#N)n2)C1 72447269 NCWUOPPTURVOMV-HNNXBMFYSA-N 351.458 2.062 30 50 FEEA CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)N1CCN(Cc2cccc(F)c2)CC1 330568376 LVIOFCHSINQVNZ-UZLBHIALSA-N 360.477 2.386 30 50 FEEA CN(C)Cc1nnc(C2CCN(c3cc(C#N)ccn3)CC2)n1C1CC1 82106353 VPVNYYWQXVYECY-UHFFFAOYSA-N 351.458 2.325 30 50 FEEA C=CCC(=O)N1[C@H]2CC[C@H]1CN(C(=O)c1cc3ccccc3c(O)n1)C2 2325878627 WJZZGEFMHGVYLH-GJZGRUSLSA-N 351.406 2.332 30 50 FEEA CCCN1CCC[C@]2(CCCN2S(=O)(=O)c2cccc(C#N)c2)C1=O 2356166968 FMWRPTPMQWAUIF-SFHVURJKSA-N 361.467 2.114 30 50 FEEA CN(C[C@@H]1CCCN(C)[C@H]1c1cnn(C)c1)/C(O)=N/CC[C@H]1CCCO1 328631692 RICFJTWNBWOJRB-CGTJXYLNSA-N 363.506 2.218 30 50 FEEA C[C@@H](C1CC1)n1cc(NC(=O)N2CCN(c3ccc(C#N)cn3)CC2)cn1 189640925 RUHRFMHTEXONCS-AWEZNQCLSA-N 365.441 2.475 30 50 FEEA C#CCCC1(CCC(=O)Nc2ccc(F)c(N3C(=O)CNC3=O)c2C)N=N1 1875387513 LOHVIVWSBMTLJX-UHFFFAOYSA-N 371.372 2.485 30 50 FEEA Cc1noc(C)c1CN1C(=O)[C@@H]2CC[C@H]1CN(c1cccc(C#N)n1)C2 220122542 GSXVTXSREIGCJS-ZBFHGGJFSA-N 351.410 2.186 30 50 FEEA C=CCNC(=O)N1CC[C@@]2(CCCN(Cc3cccc(OC)c3)C2=O)C1 14958055 DPBQIHVZAHYFLK-FQEVSTJZSA-N 357.454 2.405 30 50 FEEA CCc1nnc(NCc2cc(O[C@H]3CCNC3)ccn2)c(C#N)c1CC 818629564 YIRPPEVKFPOZNL-HNNXBMFYSA-N 352.442 2.221 30 50 FEEA Cn1c(=O)c2cc(/C(O)=N/[C@H]3CCCCC34CCCC4)cnc2n(C)c1=O 329755581 YCXBGDQEXGYJAR-HNNXBMFYSA-N 370.453 2.440 30 50 FEEA COc1nccc(N2CCN(Cc3ccccc3)[C@H](CCO)C2)c1C#N 72419465 XBVHRPYQVPEVST-QGZVFWFLSA-N 352.438 2.035 30 50 FEEA CCc1cc(-c2c(C#N)c(N)nc3c2CN(C(=O)c2cccnc2)CC3)on1 72166147 VBAOJOIVDKQZEA-UHFFFAOYSA-N 374.404 2.346 30 50 FEEA C=CCN1CC2(CCC1=O)CCN(C(=O)c1cc(C(F)(F)F)n[nH]1)CC2 91745519 TZNAGAQINZJLEJ-UHFFFAOYSA-N 370.375 2.459 30 50 FEEA CC1(C)CCCN(C(=O)CCC(=O)N2CC(=O)Nc3ccccc32)[C@H]1C#N 278054999 VWJZETWDFSEXAA-INIZCTEOSA-N 368.437 2.293 30 50 FEEA COCCOC(=O)C1=C(N)OC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1cccnc1 17440250 NUYXXLBQLZMIPW-HNNXBMFYSA-N 372.421 2.199 30 50 FEEA biogenic,in-vitro O=C(O)CN(CC1CC1)C1CC(/N=C(/O)Cc2c[nH]c3ncccc23)C1 328648401 ULJNABKJKVMPLX-UHFFFAOYSA-N 356.426 2.390 30 50 FEEA O=C1[C@H]2[C@H]3C=C[C@H]([C@H]2C(=O)N1/N=C/c1ccc(Br)o1)[C@@H]1C[C@@H]31 253390214 KWYWMVFAEKHVOI-GVNQPNQCSA-N 361.195 2.429 30 50 FEEA Cc1cc(C(F)(F)F)nc(CNC(=O)c2ccc(C#CC(C)(C)O)o2)n1 952975121 YCPBTOOEORWTTL-UHFFFAOYSA-N 367.327 2.449 30 50 FEEA COc1cc(Cl)cc([C@H]2NC(=O)NC(C)=C2C(C)=O)c1OCC(=O)O 5027745 HVNPHYHZISOELB-CQSZACIVSA-N 368.773 2.029 30 50 FEEA CC(=O)C1=C(O)C(=O)N(CCCO)[C@@H]1c1ccc(Br)cc1 17952909 YCUTYSUZYBZNHW-CYBMUJFWSA-N 354.200 2.116 30 50 FEEA N#Cc1cccc(C(=O)N[C@@H]2CCOC[C@H]2Oc2ccc(CO)cc2)c1 220297650 YVIMNWBNADXSFS-RTBURBONSA-N 352.390 2.017 30 50 FEEA C#CCCC1(CCC(=O)N[C@@H](C(=O)N2CCOCC2)c2ccccc2)N=N1 1875382053 PFWCNLWLPQNMSO-GOSISDBHSA-N 368.437 2.058 30 50 FEEA N#Cc1ccc(CSCC(=O)N[C@H]2C(=O)NCc3ccccc32)cc1 1875347134 IHHFGEQGIMSWJL-GOSISDBHSA-N 351.431 2.279 30 50 FEEA CC(C)(O)C#Cc1cccc(C(=O)N2CCC3(CC2)C[C@@](C)(O)CCO3)c1 1704359649 XNFYSOLOUUVKQD-NRFANRHFSA-N 371.477 2.345 30 50 FEEA C#CCCC1(CCC(=O)N[C@H]2CCCn3cc(C(=O)OCC)nc32)N=N1 2325891755 FEGFVYSCDXIQJX-ZDUSSCGKSA-N 357.414 2.367 30 50 FEEA COCC(=O)N1CCC[C@@H](C(=O)N(CC#Cc2ccccc2)CC(C)C)C1 55166608 KBUPSVMXDJTMRK-HXUWFJFHSA-N 370.493 2.408 30 50 FEEA CCn1cc(CN2CCN(c3ccc(C(=O)OC)cc3)CC2)cc1C#N 72458386 BOGQZVOSKKLXGK-UHFFFAOYSA-N 352.438 2.488 30 50 FEEA C=CCn1c(S)nc2cc(C(=O)N[C@H]3CCC[C@H]3OC)ccc2c1=O 163429697 FYSRJDLVONNIDR-DZGCQCFKSA-N 359.451 2.169 30 50 FEEA Cc1cc(C#N)ccc1C(=O)N1CC[C@@H](c2cc(O)nc(N(C)C)n2)C1 864838234 ACCWHZLXCWROBF-CQSZACIVSA-N 351.410 2.058 30 50 FEEA COc1ccc(C#N)cc1NC(=O)N1CCN(C2CCN(C)CC2)[C@H](C)C1 408081096 URBDAAHOBVFERA-OAHLLOKOSA-N 371.485 2.199 30 50 FEEA O=C1N/C(=N/N=C/c2ccc(O)cc2)S[C@@H]1Cc1ccccc1[N+](=O)[O-] 18209311 BHWOVSCSVYBXKV-BFERYNQYSA-N 370.390 2.465 30 50 FEEA C#CCCC1(CCNC(=O)c2ccc(C3(OC)CCOCC3)nc2)N=N1 2325891645 SXTWHTSLZIEDES-UHFFFAOYSA-N 356.426 2.429 30 50 FEEA CN(Cc1nccs1)[C@H]1CC12CCN(C(=O)c1cc(C#N)cn1C)CC2 328627416 GBVPZIBCBBTFJN-INIZCTEOSA-N 369.494 2.480 30 50 FEEA C=CC[C@@]1(CO)CCCN(C(=O)C2(N3CCOCC3)CCCCC2)C1 91593397 WPFJDMCTXCZZFL-LJQANCHMSA-N 350.503 2.199 30 50 FEEA N#Cc1cccnc1N1CCC(Nc2cc([C@H]3C[C@@H](O)C3)ncn2)CC1 244626805 FTCFCVVEPVDBKP-FZNQNYSPSA-N 350.426 2.062 30 50 FEEA C#CCCC1(CCC(=O)N2C[C@@H](C#N)[C@@]3(C2)C(=O)Nc2ccccc23)N=N1 1875368903 DRNAAQMFHMHWAZ-JLTOFOAXSA-N 361.405 2.214 30 50 FEEA C#CCOCCC(=O)N1C[C@@H](C)[C@H](CNC(=O)CCCc2ccccc2)C1 2325825273 KNVKPINTOIRBPJ-UYAOXDASSA-N 370.493 2.260 30 50 FEEA CCCN1CCc2nc(N)c(C#N)c(-c3cc(C#CCO)cs3)c2C1 72161782 CFHWNAASDQLYAH-UHFFFAOYSA-N 352.463 2.376 30 50 FEEA Cc1ccc(C#N)c(N2CCN(C3CCN(C(C)C)CC3)[C@H](CCO)C2)n1 72478059 JWGGOOYYMQWEKB-HXUWFJFHSA-N 371.529 2.008 30 50 FEEA N#Cc1ccc(NC(=O)CCCN2CCN(C(=O)c3ccc[nH]3)CC2)cc1 243885540 AABAILDCZPZGCQ-UHFFFAOYSA-N 365.437 2.063 30 50 FEEA CN(C)c1ccc(N[C@@H]2CCCN(C(=O)c3cc(C#N)cn3C)CC2)cn1 328638506 PBUVWSBYXDAGLQ-MRXNPFEDSA-N 366.469 2.465 30 50 FEEA N#Cc1ccc(N2CCC[C@@]3(CCC(=O)N(CCc4c[nH]cn4)C3)C2)nc1 77489030 MFMHDDFNVQWMKI-HXUWFJFHSA-N 364.453 2.128 30 50 FEEA CN1CCN(C(=O)c2ccc(F)c(C#N)c2)C[C@@H]1c1nc(C2CC2)no1 284821070 BYIMSIRAZMIPGP-OAHLLOKOSA-N 355.373 2.087 30 50 FEEA CC(=O)C1=C(O)C(=O)N(Cc2cccnc2)[C@H]1c1ccccc1[N+](=O)[O-] 870989 FKNFEEUMRHTSQF-INIZCTEOSA-N 353.334 2.474 30 50 FEEA C=CCN1CC2(CCC1=O)CCN(C(=O)CCc1n[nH]c(C)c1C)CC2 91662983 RSFZYQXFDWUWPS-UHFFFAOYSA-N 358.486 2.376 30 50 FEEA COc1cccc(/C=C/c2nc(C#N)c(NCCN3CCOCC3)o2)c1 20512879 NDHTWAAHVBHHLT-AATRIKPKSA-N 354.410 2.469 30 50 FEEA Cc1ccc(O[C@@H]2CCN(S(=O)(=O)c3cc(C#N)ccc3C)C2)cn1 328628535 NUUFCYXHJUZLNG-QGZVFWFLSA-N 357.435 2.412 30 50 FEEA O/C(=N/CCN1CCCOCC1)NC1[C@H]2CC[C@H]1Cc1ccccc1C2 329702377 IBFVLKFWNKZCLO-OALUTQOASA-N 357.498 2.406 30 50 FEEA CC1CCN(c2nnc(SC[C@H](O)CC#N)n2C[C@@H]2CCCO2)CC1 253425436 BZMKEEOYXZJVHN-CABCVRRESA-N 365.503 2.060 30 50 FEEA C=CCN1CC2(CCC1=O)CCN(C(=O)[C@@H](O)Cc1ccccc1)CC2 91679489 XGEXLJDHBVUJLV-SFHVURJKSA-N 356.466 2.007 30 50 FEEA C=CCOc1ccc(/C=C2/C(=O)NC(=S)N(CC=C)C2=O)cc1OCC 15012983 JYSNZXSXYDXLII-KAMYIIQDSA-N 372.446 2.463 30 50 FEEA N#Cc1ccc(O[C@H]2CCOC[C@@H]2NC(=O)c2cnc(O)c(Cl)c2)cc1 1565511809 RHWPATKNZBWOLY-HOTGVXAUSA-N 373.796 2.279 30 50 FEEA N#Cc1cccnc1N1CCN(C2CCN(Cc3ccco3)CC2)CC1 65452229 PLCLWQATBDHXDR-UHFFFAOYSA-N 351.454 2.333 30 50 FEEA CCC[C@@]1(C2CCN(c3nc(C)cc(C)c3C#N)CC2)NC(=O)NC1=O 71279007 MXSGWNBEHDVNKB-IBGZPJMESA-N 355.442 2.165 30 50 FEEA COc1ccc(OC)c(S(=O)(=O)N/N=C\c2c[nH]c3ccccc23)c1 17074098 GPHKFILHCIUMLK-ODLFYWEKSA-N 359.407 2.498 30 50 FEEA Cn1c([C@H]2CCCN2CC(=O)N(CCC#N)CCC#N)nc2c1CCCC2 275928226 KLVXVGAYDNUOPR-GOSISDBHSA-N 368.485 2.092 30 50 FEEA C=CCn1c(SCC(=O)N2CCOCC2)nnc1-c1cccc(OC)c1 783972 KLXWQJFYKPGVSH-UHFFFAOYSA-N 374.466 2.091 30 50 FEEA C=CCOc1ccc(NC(=O)C2CCN(S(=O)(=O)CC)CC2)cc1 67604834 YFMXMBUEBHTDSP-UHFFFAOYSA-N 352.456 2.252 30 50 FEEA CC(C)(O)C#Cc1cccc(C(=O)N2CCC(c3ccnc(N)n3)CC2)c1 215718799 VKDDPETWPXTQHR-UHFFFAOYSA-N 364.449 2.201 30 50 FEEA CC(=O)NCc1cc(O[C@@H]2CCN(c3ncc(C#N)cc3Cl)C2)ccn1 886048147 YYUYEXJXVKYGOD-MRXNPFEDSA-N 371.828 2.295 30 50 FEEA CCN(CC)[C@@H]1CCN(/C(O)=N/Cc2ccc(C)c(S(C)(=O)=O)c2)C1 331290159 PEIZHGVLSFKYFF-MRXNPFEDSA-N 367.515 2.229 30 50 FEEA Cc1cc(N2CCN(CC#Cc3ccc(Cl)cc3)CC2)n2ncnc2n1 177021128 AHLHVOMBYHYJCY-UHFFFAOYSA-N 366.856 2.260 30 50 FEEA CCCCCCCCOCCOCCOCCOCCOCCO 16051619 MJELOWOAIAAUJT-UHFFFAOYSA-N 350.496 2.422 30 50 FEEA in-vivo C[C@@H]1C=CC[C@]2(COS(C)(=O)=O)CCCC[C@]12COS(C)(=O)=O 101138257 YKJDYPVPSHJLEO-ILXRZTDVSA-N 366.501 2.082 30 50 FEEA N#C[C@H]1CCCN(C(=O)c2ccc(-c3ccccc3S(N)(=O)=O)cc2)C1 426628309 POBOSCMDUKUSEG-CQSZACIVSA-N 369.446 2.377 30 50 FEEA C#CCCC1(CCC(=O)N2C[C@H](C#N)[C@]3(C2)C(=O)Nc2ccccc23)N=N1 1875368906 DRNAAQMFHMHWAZ-XOBRGWDASA-N 361.405 2.214 30 50 FEEA C=C[C@@H](CC(=O)N1CC[C@@H](N(C)Cc2nccc(N)n2)C1)c1ccccc1 276647963 YANBNHMVBNKZOK-FUHWJXTLSA-N 365.481 2.451 30 50 FEEA N#Cc1ccc(CN2CCCN(C(=O)c3cccc(O)c3O)CC2)cc1 186812310 HAAJUDVWWLZCTK-UHFFFAOYSA-N 351.406 2.318 30 50 FEEA C[C@@H]1O[C@H](C)Cc2c(C(=O)N3CCN(c4ccccc4C#N)CC3)n[nH]c21 1857529038 CFUIYXZPZNCRSV-KGLIPLIRSA-N 365.437 2.266 30 50 FEEA COc1ccc2oc(N3CCC[C@H](CC(=O)N4CC(C#N)C4)C3)nc2c1 1857727755 ZKGCFQICCGRUHF-CYBMUJFWSA-N 354.410 2.425 30 50 FEEA C#CCCC1(CCNC(=O)C2(NCc3ccccc3)CCOCC2)N=N1 2325891485 KDSVVJWVMJKAIS-UHFFFAOYSA-N 354.454 2.407 30 50 FEEA C=CCOc1ccc(C(=O)NCCN2CCCC[C@@H]2CO)cc1OCC 55168673 CMNZRMBURVMPKE-QGZVFWFLSA-N 362.470 2.227 30 50 FEEA CCn1cc(CN2CCC[C@]3(CCC(=O)N(CCOC)C3)C2)cc1C#N 77319079 UUXAKTMAWKCAHA-FQEVSTJZSA-N 358.486 2.231 30 50 FEEA Cn1c(CN2CCCC2)nnc1[C@@H]1CCCN(c2cccc(C#N)n2)C1 72447268 NCWUOPPTURVOMV-OAHLLOKOSA-N 351.458 2.062 30 50 FEEA C[C@@H]1Oc2ccccc2N(CC(=O)NCc2cc(C#N)ccc2F)C1=O 174400129 COSJICNTDCHCAQ-LBPRGKRZSA-N 353.353 2.128 30 50 FEEA COc1ccccc1[C@H](C/N=C(/O)N1CC[C@](F)(CO)C1)N1CCCC1 328721528 WWOJMYLXSLFTSY-QFBILLFUSA-N 365.449 2.152 30 50 FEEA OCC#Cc1ccc(CN2CCN(CCOc3ccccc3)CC2)cc1 216118986 DTEJRSKXOBYTKL-UHFFFAOYSA-N 350.462 2.227 30 50 FEEA CCC#CCN1CCC(N2CCC[C@H](C(=O)NCc3ccccn3)C2)CC1 82138587 OPXQRSRRVCHXEX-IBGZPJMESA-N 368.525 2.288 30 50 FEEA Cn1cnc2c(c1=O)CCN(/C(O)=N/CCc1ccc(Cl)s1)C2 330117826 XNDKBMIIRDVSPO-UHFFFAOYSA-N 352.847 2.010 30 50 FEEA C=C(C)Cn1c(SCc2ccccc2)nc2c1c(=O)n(C)c(=O)n2C 623413 UWQRIMMXDLNIIK-UHFFFAOYSA-N 356.451 2.302 30 50 FEEA C=CC[C@]1(C(=O)O)CCCN(S(=O)(=O)N(C)Cc2ccccc2)C1 107658334 NUTYHLVCEFUYBE-KRWDZBQOSA-N 352.456 2.106 30 50 FEEA O=[S@+]1(O)C[C@@H]2NC(=S)N(c3ccc(Br)cc3F)[C@H]2C1 334158075 NCGLRVPAERTNRL-WPRPVWTQSA-P 366.257 2.006 30 50 FEEA C=C[C@@H](CC(=O)N1CC[C@H](N(C)Cc2nccc(N)n2)C1)c1ccccc1 276647969 YANBNHMVBNKZOK-WMZOPIPTSA-N 365.481 2.451 30 50 FEEA C=CCS(=O)(=O)N1CCC[C@@](Cc2ccccc2)(C(=O)OCC)C1 15063656 GOXFFKXQLCERMQ-SFHVURJKSA-N 351.468 2.390 30 50 FEEA Cc1nc(C#N)c(N2CCN(S(=O)(=O)c3ccc(C(C)C)cc3)CC2)o1 227154616 XEPKQQSPBODYFP-UHFFFAOYSA-N 374.466 2.489 30 50 FEEA Cc1oc(C#N)cc1C(=O)N[C@@H]1CC(=O)N(C2CC2)[C@H]1c1cccnc1 497513200 YVAQQOQJZGPKCP-AEFFLSMTSA-N 350.378 2.089 30 50 FEEA CO[C@@H]1C[C@@H](c2nc[nH]n2)N(/C(O)=N/[C@@H]2[C@@H]3CCc4ccccc4[C@@H]32)C1 328975316 CPZISXQIHWLNOP-FMPTWSOUSA-N 353.426 2.209 30 50 FEEA N#Cc1cccc(N2CCC(N3CCC[C@@H](C(=O)N4CCCC4)C3)CC2)n1 71730320 AEWFCGGPMNVFHT-QGZVFWFLSA-N 367.497 2.256 30 50 FEEA O=C1[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C[C@H]34)[C@H]2C(=O)N1/N=C/c1cc2c(cc1Cl)OCO2 253390209 JTXWSZAFELZYOI-DCTBLLQASA-N 370.792 2.456 30 50 FEEA C#CCCC1(CCC(=O)NCc2ccc(CN3CCN(C)CC3)cc2)N=N1 952882328 PKPNPOQWQCXYCM-UHFFFAOYSA-N 367.497 2.406 30 50 FEEA Cc1cc(C)nc(SCC(=O)OCC(=O)Nc2ccccc2C#N)n1 1060593 PRBRTUGMBNKGGA-UHFFFAOYSA-N 356.407 2.239 30 50 FEEA C[C@](C#N)(NC(=O)CN1CCC[C@H]1c1ccc2c(c1)OCCO2)C1CC1 252444169 ICTRXFNTLTUTGI-OXJNMPFZSA-N 355.438 2.403 30 50 FEEA CN(C[C@@H]1C[C@H](F)CN1Cc1nccs1)C(O)=Nc1cnns1 329962060 RXTYFWMGBNQVQS-UWVGGRQHSA-N 356.452 2.085 30 50 FEEA CC1(C)OB(c2ccc(C3CCN(S(C)(=O)=O)CC3)cc2)OC1(C)C 221865667 DTGDCKYWMHHVHA-UHFFFAOYSA-N 365.304 2.125 30 50 FEEA C=CCN1C[C@@H](C(=O)NCCCc2nc3cc(Cl)ccc3[nH]2)CC1=O 299798901 WILKQVMCJQDEAY-LBPRGKRZSA-N 360.845 2.300 30 50 FEEA C/C(=N\NS(=O)(=O)c1ccc(Cl)cc1)c1c(O)cc(C)oc1=O 5612095 IUPKTDRWAHQACU-CXUHLZMHSA-N 356.787 2.010 30 50 FEEA CN(C)CCN1C(=O)C(O)=C(C(=O)c2cccs2)[C@H]1c1ccncc1 19884646 HQPHMPDOVJJLHU-OAHLLOKOSA-N 357.435 2.283 30 50 FEEA C=CC[C@@H]1CC=C[C@@H](c2ccccc2)N1C(=O)Cn1[nH]c(=O)ccc1=O 55342795 FVWGCQJDUIEPGW-SJORKVTESA-N 351.406 2.011 30 50 FEEA CC(C)(O)C#Cc1cccc(C(=O)N2CCC(Nc3ncccn3)CC2)c1 65371862 LIZXPJWPMFHGEN-UHFFFAOYSA-N 364.449 2.316 30 50 FEEA C=C[C@H](CC(=O)N1CC[C@H](N(C)Cc2nccc(N)n2)C1)c1ccccc1 276647959 YANBNHMVBNKZOK-AEFFLSMTSA-N 365.481 2.451 30 50 FEEA C=CCc1cc(C(=O)N2CCC3(CC2)CN[C@@H](C(=O)O)C3)ccc1OC 91474643 HIQOUHJVAMMYIN-MRXNPFEDSA-N 358.438 2.093 30 50 FEEA CCCc1nnc(N2C[C@@H](C(=O)NCc3ccc(C#N)cc3)CC2=O)s1 1857716438 MLUCDCWXRUEFBX-AWEZNQCLSA-N 369.450 2.032 30 50 FEEA CC(C)NC(=O)[C@H](C#N)C(=O)[C@@H]1COc2ccc(Br)cc21 136666090 SIVJEYQYHJSOGJ-VXGBXAGGSA-N 351.200 2.159 30 50 FEEA COC(=O)C(C)(C)NC(O)=Nc1nnc(-c2ccc(OC)cc2)s1 328596643 KOQFSHNTFBMMTD-UHFFFAOYSA-N 350.400 2.300 30 50 FEEA CN(C)c1ccc(N[C@@H]2CCCN(C(O)=Nc3cnn(C)c3)CC2)cn1 328626862 FNUSLOVBDDAUOA-CQSZACIVSA-N 357.462 2.393 30 50 FEEA COc1ccc(/C=N/N2C(=O)[C@@H]3[C@H]4C=C[C@@H]([C@@H]5C[C@H]45)[C@H]3C2=O)c(OC)c1 244659426 HCKZNPLHWXTKAE-PXQICXGYSA-N 352.390 2.091 30 50 FEEA C=C[C@H](C)ONC(=O)N1CCC(c2nccc(-c3cncnc3)n2)CC1 952892156 FGPDGZGDSZWWPM-ZDUSSCGKSA-N 354.414 2.329 30 50 FEEA CO[C@@H]1C[C@@H](c2nc(C)c(C)[nH]2)N(C(=O)COc2ccccc2C#N)C1 888103307 VADFTXUKZUNHQJ-CVEARBPZSA-N 354.410 2.266 30 50 FEEA COc1ccc(C(=O)O/N=C2/C(=O)N(C)c3ccccc32)cc1[N+](=O)[O-] 4568019 JFNXBXUSFVHLAU-OBGWFSINSA-N 355.306 2.141 30 50 FEEA CC1(C)OB(c2ccccc2S(=O)(=O)NCc2ccco2)OC1(C)C 170005295 QJUKGZGTLGZRIH-UHFFFAOYSA-N 363.244 2.057 30 50 FEEA Cc1ccc(C#N)c(N2CCC(N3CCC[C@@H](C(=O)NC4CC4)C3)CC2)n1 71405881 BBCWEGDHUIWMSB-QGZVFWFLSA-N 367.497 2.221 30 50 FEEA CCOC(=O)/C(O)=N/c1nnc(Cc2ccc(OC)c(OC)c2)s1 4460447 VMFLGJQFTVYYBV-UHFFFAOYSA-N 351.384 2.297 30 50 FEEA C=CCC(C)(C)CN1C[C@@H]2[C@H](CNC(=O)c3ccon3)[C@H]3CC[C@]2(C1)O3 1857723243 ZGCOYMXKTFZDJQ-DKYLXPRQSA-N 359.470 2.486 30 50 FEEA CN(C[C@H]1CCc2nc(C(F)(F)F)cn2C1)C(O)=Nc1cnn(C)c1 328627788 NCQHFLVGWWDONW-SNVBAGLBSA-N 356.352 2.375 30 50 FEEA CN(C)CCn1ccnc1[C@H]1CCCN(C(=O)c2ccc(C#N)cc2)C1 95390215 CWPVQWWOOUDPJJ-SFHVURJKSA-N 351.454 2.336 30 50 FEEA COc1ccc(/C=N/N2C(=O)[C@H]3[C@H]4C=C[C@@H]([C@H]5C[C@H]54)[C@H]3C2=O)cc1OC 252428708 WMVSNTSUKSHDGJ-AADSSDBPSA-N 352.390 2.091 30 50 FEEA C[C@@H]1O[C@H](C)Cc2c(C(=O)N(C)CCOc3cccc(C#N)c3)n[nH]c21 1875394244 ALGYVVMPIVOPKH-OLZOCXBDSA-N 354.410 2.455 30 50 FEEA COc1nccc(N[C@H]2CCOC[C@@H]2OCc2c(C)noc2C)c1C#N 1565507789 JCSJQIGKWDTTJI-IRXDYDNUSA-N 358.398 2.353 30 50 FEEA Cc1c(CN2CCCN(C(=O)[C@@H]3CC(C(C)C)=NO3)CC2)cc(C#N)n1C 1800415063 ZVAZOMKZVGRTIA-IBGZPJMESA-N 371.485 2.040 30 50 FEEA CN(C)C[C@H]1[C@H]2CN(c3nc4c(cc3C#N)CCCC4)C[C@]23CC[C@H]1O3 1857739683 NZXFPJXBUYAWPX-GMLUQMLDSA-N 352.482 2.377 30 50 FEEA CC(C)n1cc([C@]2(O)CCCN(CCOc3cccc(C#N)c3)C2)nn1 284490205 CKMREFWBJUBMAY-IBGZPJMESA-N 355.442 2.093 30 50 FEEA C#CCCC1(CCC(=O)Nc2ccc(C(=O)N3CCN(C)CC3)cc2)N=N1 952881944 ONZWTIXIVUZSFK-UHFFFAOYSA-N 367.453 2.368 30 50 FEEA C=CCC(=O)N1CCC[C@@H](N2CCN(Cc3ccc4c(c3)OCO4)CC2)C1 19745859 LSQAANTXMAFLQP-GOSISDBHSA-N 371.481 2.100 30 50 FEEA C=CCNC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(OCC)c(C)c2)C1 6703582 WDFPAXMLKVTOGK-HNNXBMFYSA-N 366.483 2.097 30 50 FEEA C=CCn1cc(CNCCNS(=O)(=O)c2ccc(Cl)cc2)c(C)n1 55307285 IHJWAQOXHXZVJO-UHFFFAOYSA-N 368.890 2.099 30 50 FEEA C=CCNC(=O)[C@@H](C#N)C(=O)c1ccc(-c2noc(C(F)(F)F)n2)cc1 253397384 YJOUHQUFUAUMKF-NSHDSACASA-N 364.283 2.380 30 50 FEEA O=[S@+]1(O)C[C@H]2NC(=S)N(c3ccc(Br)cc3F)[C@H]2C1 334158073 NCGLRVPAERTNRL-SCZZXKLOSA-P 366.257 2.006 30 50 FEEA C=CC[C@@]1(CO)CCCN(S(=O)(=O)CCOc2ccc(F)cc2)C1 91663038 DLCPTDQDZMYYQI-QGZVFWFLSA-N 357.447 2.185 30 50 FEEA CCc1ccc(S(=O)(=O)N/N=C\c2cc(OC)c(O)c(OC)c2)cc1 32575563 CPLWNAPUTDVBGI-WQRHYEAKSA-N 364.423 2.284 30 50 FEEA C=CCn1cc(C(=O)N(Cc2ccsc2)[C@@H]2CC23CCNCC3)nn1 952887997 XWCUOIXXXSJDSK-MRXNPFEDSA-N 357.483 2.310 30 50 FEEA C#CCCC1(CCC(=O)N2CCC(Nc3nccc(OC)n3)CC2)N=N1 2325892609 UEOVHOVQIRHEOR-UHFFFAOYSA-N 356.430 2.244 30 50 FEEA N#CCNC(=O)c1cc(-c2cccnc2)nc2c1cnn2Cc1cccnc1 474568113 WOLBFDWDZASMKA-UHFFFAOYSA-N 369.388 2.190 30 50 FEEA NC(=O)CN1CCC[C@@H](C(=O)N(CC#Cc2ccccc2)C2CCCC2)C1 952978569 QXXJYVFWGPUBIM-LJQANCHMSA-N 367.493 2.007 30 50 FEEA COc1ccc(CC(=O)O/N=C(\N)c2ccc([N+](=O)[O-])cc2)cc1OC 5102233 PBBWYRHTNVKVFW-UHFFFAOYSA-N 359.338 2.018 30 50 FEEA COc1cc(C#N)ccc1OC[C@@H]1CCCN(CC2COCCOC2)C1 1875244476 RXVRCFNOATWALY-QGZVFWFLSA-N 360.454 2.321 30 50 FEEA CN(C[C@@H]1CCN(C(=O)c2ccc(C#N)[nH]2)C1)C(=O)[C@@H]1Cc2ccccc21 2325824964 XMAYUHFXSQFESK-KBXCAEBGSA-N 362.433 2.147 30 50 FEEA O=C1[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)N1/N=C/c1cc(Br)ccc1O 101021152 RBZDTQLAQDWVSS-QREYSOIOSA-N 361.195 2.296 30 50 FEEA Cc1ccc(C#N)c(N2CCC(N3CCC[C@H](C(=O)NC4CC4)C3)CC2)n1 71405880 BBCWEGDHUIWMSB-KRWDZBQOSA-N 367.497 2.221 30 50 FEEA Cc1cc(C(F)(F)F)nc(N2CCN(Cc3cc(C#N)n(C)c3)CC2)n1 72165591 BVSYDMVMMISMAM-UHFFFAOYSA-N 364.375 2.336 30 50 FEEA COCCCN1CCC[C@@]2(CCN(C(=O)c3ccc(C#N)cc3)C2)C1=O 91691409 AEPQDPSQMWMFKI-FQEVSTJZSA-N 355.438 2.049 30 50 FEEA C#CCCC1(CCC(=O)Nc2cc(CN3CCN(C)CC3)ccc2O)N=N1 1875387375 FGGWNDBDDHZELX-UHFFFAOYSA-N 369.469 2.434 30 50 FEEA N#Cc1ccc(O[C@H]2COCC[C@@H]2NC(=O)CCc2cccnc2)cc1 1565517071 AQLGXJWEZGBCSB-OALUTQOASA-N 351.406 2.239 30 50 FEEA Cc1ccc2c(C)nc(/N=C(\N)NS(=O)(=O)c3ccccc3)nc2c1 15974683 FHQDVRQNTVLEDM-UHFFFAOYSA-N 355.423 2.171 30 50 FEEA Cc1nc(-c2ccc(C(=O)N3CCn4nc(C#N)cc4C3)cc2)ccc1O 2356166116 PAHUDBYEESSODO-UHFFFAOYSA-N 359.389 2.487 30 50 FEEA N#Cc1ccc(S(=O)(=O)N[C@@H]2COCC[C@@H]2OCC2CC2)c(Cl)c1 222723804 ZKGCIERJUNFWGI-CABCVRRESA-N 370.858 2.074 30 50 FEEA N#C[C@@H](OC(=O)C1=NN(c2ccccc2)[C@@H](C(N)=O)C1)C1CCCCC1 170592024 XIRGMQHLSSWHRD-IAGOWNOFSA-N 354.410 2.122 30 50 FEEA C=CCn1nc(C(=O)N2CCSCC2)c2c1CC[C@@H](N(CC)CC)C2 14733314 KFUAXWHBFLYVNM-OAHLLOKOSA-N 362.543 2.457 30 50 FEEA COc1ccc(CN2CCN(C)[C@@H](c3nc(C4CC4)no3)C2)cc1C#N 285544921 QFYVYGFHCKOVQM-MRXNPFEDSA-N 353.426 2.316 30 50 FEEA Cn1ccnc1[C@H]1OCC[C@@H]1/N=C(/O)c1cnc(O)c(Br)c1 328931768 BHDKHUGCCLFXAP-QWRGUYRKSA-N 367.203 2.118 30 50 FEEA N#Cc1ccc(S(=O)(=O)N2CC3(CCOCC3)[C@H]2c2ccccc2)cn1 333927962 WVZINDRKNQGSLO-GOSISDBHSA-N 369.446 2.496 30 50 FEEA Cc1nnc([C@H]2CC23CCN(C(=O)COc2ccccc2C#N)CC3)o1 370860449 KIFJVZIGKHFJKV-OAHLLOKOSA-N 352.394 2.425 30 50 FEEA N#Cc1cnc(N2CCC[C@](O)(Cc3nc(C4CC4)no3)C2)c(Cl)c1 818145574 ONKNAVSHONEVQR-KRWDZBQOSA-N 359.817 2.441 30 50 FEEA Cc1c2c(n3c(nc4ccccc43)c1C#N)N(CCN1CCOCC1)CC2 20029234 IVPXCZPECLZCAZ-UHFFFAOYSA-N 361.449 2.362 30 50 FEEA C=CCN1C[C@@]2(C(=O)O)CN(Cc3cc(F)ccc3Cl)C[C@H]2C1=O 77489857 IGBGUCVETHTSSL-GUYCJALGSA-N 352.793 2.010 30 50 FEEA N/C(=N\OC(=O)c1ccc(I)cc1)c1cccnc1 5103066 FXAJYGVGIITWHE-UHFFFAOYSA-N 367.146 2.164 30 50 FEEA CN(C[C@H]1CCN(C(=O)c2ccc(C#N)[nH]2)C1)C(=O)[C@H]1Cc2ccccc21 2325824965 XMAYUHFXSQFESK-KDOFPFPSSA-N 362.433 2.147 30 50 FEEA C=CCNc1ccccc1C(=O)N1CCC(C(=O)N[C@H](C)COC)CC1 65459464 HROZIAWZWFZTOU-OAHLLOKOSA-N 359.470 2.288 30 50 FEEA N#C[C@@H]1CCCN(Cc2cc(-c3cnccn3)ccc2OCC(=O)O)C1 97604104 YBPDDWAUOJQZRM-AWEZNQCLSA-N 352.394 2.343 30 50 FEEA C#CCCC1(CCC(=O)Nc2ccc(N3N=C(COC)CC3=O)nc2)N=N1 1875368660 IRRQCVCXDXIUMD-UHFFFAOYSA-N 368.397 2.115 30 50 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CN1CCC[C@@H](CNC(=O)Cc2ccc(C#N)cc2)[C@@H]1c1cncn1C 886046142 KMQOWHXVCRBANB-FXAWDEMLSA-N 351.454 2.034 30 50 FEEA Cc1ccc2c(c1)CC[C@H]2NC(=O)C(=O)Nc1cc(C)n(CCC#N)n1 271094432 VYTBFMVHKIEUDH-MRXNPFEDSA-N 351.410 2.156 30 50 FEEA C=CCC(=O)N(CC1CCN(CCOC)CC1)C[C@@H]1CCCN1CC 12757538 YDNGAKYDJJFZOQ-IBGZPJMESA-N 351.535 2.234 30 50 FEEA Cc1c(CNC(=O)C(=O)N2CCC[C@@](C)(C#N)C2)noc1-c1ccccc1 2325818013 PNLRAOIOVWXNND-FQEVSTJZSA-N 366.421 2.419 30 50 FEEA CCO[C@H]1CN(C)C[C@@H]1NC(=O)c1cccc(-c2cccc(C#N)n2)c1 426479717 JPOHPUWCUPMQMP-OALUTQOASA-N 350.422 2.069 30 50 FEEA O=C1Oc2ccccc2C(=O)/C1=C\N[C@H](Cc1ccccc1)c1nc[nH]n1 828327368 QETMMZXGFIMNKX-RBFDBLARSA-N 360.373 2.364 30 50 FEEA C=CCCC(=O)N1CCC2(CC1)CN(Cc1cccc(O)c1)C[C@@H]2C(=O)O 1857683392 RRCUFQFEFXEFFH-GOSISDBHSA-N 372.465 2.484 30 50 FEEA N#Cc1ccc(C(=O)N2CCO[C@@H](CO)[C@@H]2c2ccccc2Cl)cn1 1875245837 UAZYLNHCFAHVSS-IRXDYDNUSA-N 357.797 2.181 30 50 FEEA CC(C)=CCN1CCN(Cc2ccc(C#CCCO)cc2)C[C@@H]1CCO 20234009 DVPNCROACUDKKC-QFIPXVFZSA-N 356.510 2.255 30 50 FEEA CCc1c(C(=O)N2CCN(c3nccnc3C#N)CC2)[nH]c2ccccc12 67675357 LRFNDHBWFGMLLT-UHFFFAOYSA-N 360.421 2.354 30 50 FEEA Cc1ncccc1O[C@@H]1CCN(S(=O)(=O)c2ccc(F)cc2C#N)C1 328639247 WUFLVCQEDCVOAH-OAHLLOKOSA-N 361.398 2.243 30 50 FEEA CC(=O)N[C@@H]1CC[C@H](C(F)(F)F)N(C(=O)Cc2ccc(C#N)cc2)C1 330572016 NBMLLQHPSAKNKT-HUUCEWRRSA-N 353.344 2.159 30 50 FEEA CC[C@H](NC1CCN(c2cc(C)nc(-c3ccccc3)n2)CC1)C(=O)NO 96131372 HCUYPEPTHCZRAD-KRWDZBQOSA-N 369.469 2.294 30 50 FEEA N#Cc1ccc(S(=O)(=O)N2CCC[C@@H](n3nnc4ccccc43)C2)cc1 16578124 JOGIJCLZRSCAFJ-OAHLLOKOSA-N 367.434 2.329 30 50 FEEA CCOc1ccc([C@@H]2CC(=O)NC3=C2C(=O)[C@H](C(=O)OC)[C@@H](C)C3)cc1 16606623 CVMLNRLIEXHGDU-PZSREKOKSA-N 357.406 2.341 30 50 FEEA CCOC(=O)C1=C(COc2c(C)cc(Cl)cc2C#N)NC(=O)N[C@@H]1C 817584009 QFICTEXWJVMFOP-SNVBAGLBSA-N 363.801 2.417 30 50 FEEA N#CC1(C[C@@H](O)CN2CCC(c3ccccc3CO)CC2)CCOCC1 2325758346 MLCKXITXXROXJY-LJQANCHMSA-N 358.482 2.430 30 50 FEEA N/C(=N\OC(=O)c1ccc(I)cc1)c1ccncc1 4682053 TVHGNQRFXITFPC-UHFFFAOYSA-N 367.146 2.164 30 50 FEEA N#Cc1cccnc1N1CCN(C(=O)c2cc(-c3ccc(O)cc3)n[nH]2)CC1 92078655 GZTHRAFUQXQGPV-UHFFFAOYSA-N 374.404 2.011 30 50 FEEA CCc1nc(SCC(=O)N2CCCc3ccccc32)[nH]c(=O)c1C#N 5238908 ZEFJTBDVJIREQM-UHFFFAOYSA-N 354.435 2.275 30 50 FEEA Cc1ccc(N=C(O)N2CCC[C@@H](N(C)Cc3nccc(N)n3)CC2)cn1 328629005 HTFKOUFCCNRXFV-MRXNPFEDSA-N 369.473 2.294 30 50 FEEA O=C1[C@H](N/C(O)=N/[C@H]2CCc3c[nH]nc3C2)CCCN1c1ccccc1F 328865953 BVNCDFQIGUXQRA-DZGCQCFKSA-N 371.416 2.105 30 50 FEEA C[C@@H]1O[C@H](C)[C@H](C(=O)N[C@@H]2C[C@H](N=c3ccc(C#N)c[nH]3)C2(C)C)[C@H]1C 1875405312 COGIHWODIIYVNW-DDMNYJTGSA-N 356.470 2.130 30 50 FEEA O=C1CC[C@H](/C(O)=N/[C@@H]2C=C[C@H](CO)C2)[C@@H](c2ccncc2)N1C1CC1 328986383 UGOFOAOHPOXIPZ-OIWLHUINSA-N 355.438 2.417 30 50 FEEA CN(C)c1ccc(N[C@H]2CCCN(C(O)=Nc3cnn(C)c3)CC2)cn1 328626861 FNUSLOVBDDAUOA-AWEZNQCLSA-N 357.462 2.393 30 50 FEEA N#Cc1ccc(O[C@@H]2CCOC[C@H]2NC(=O)c2cc(C3CC3)no2)cc1 218142047 YTDWCFMIHMFKAD-IAGOWNOFSA-N 353.378 2.390 30 50 FEEA CNS(=O)(=O)[C@H]1CCN(Cc2ccc(-c3ccccc3C#N)cc2)C1 156062627 YYPOWQPUHVSELS-SFHVURJKSA-N 355.463 2.349 30 50 FEEA CC[C@H](C(=O)N1CCCN(Cc2ccccc2C#N)CC1)n1cccn1 1529172545 NWJJVQKLSYYYSX-LJQANCHMSA-N 351.454 2.440 30 50 FEEA COc1ccccc1[C@@H]1C2=C(CC(C)(C)CC2=O)Nc2[nH]c(=O)[nH]c(=O)c21 1431727 YGZZOJWGYGJUBA-CQSZACIVSA-N 367.405 2.272 30 50 FEEA C=CCn1nc(C(=O)N2CCOCC2)c2c1CC[C@@H](NCCC(C)C)C2 14541874 CHCZFTCBIDNEOY-MRXNPFEDSA-N 360.502 2.035 30 50 FEEA C=CCOc1c(Cl)cc(CNCCS(=O)(=O)NC)cc1Cl 55166766 ZBTMUULUZAOCIU-UHFFFAOYSA-N 353.271 2.197 30 50 FEEA O/C(=N/[C@H](Cc1ccccn1)c1ccccc1)N1CCN2CCOC[C@H]2C1 330143025 YQKXEJSXZHZEDH-WOJBJXKFSA-N 366.465 2.296 30 50 FEEA O=C(C#Cc1ccccc1)N1CC[C@@]2(CCCN(Cc3cccnc3)C2=O)C1 39551313 FHUKQSJZAZHPKJ-QHCPKHFHSA-N 373.456 2.474 30 50 FEEA C=CCN(C(=O)C[C@H]1COc2ccc(C(=O)N(C)C)cc2N1C)C(C)C 71759424 QFKAKJGDWZGNPC-INIZCTEOSA-N 359.470 2.399 30 50 FEEA C=CCN(C)C(=O)[C@@H]1[C@@H]2C=C[C@@]3(CN(Cc4ccc(C)c(C)c4)C(=O)[C@H]13)O2 77423811 SOPFNTKEHBCJOT-WEMPKCCASA-N 366.461 2.230 30 50 FEEA C=CCn1c(-c2ccc(OC)cc2)cn2cc(C(=O)N(C)C)nc2c1=O 72474913 BQBMHUXVGRKJAW-UHFFFAOYSA-N 352.394 2.059 30 50 FEEA CC(=O)N1CCCN(C[C@@H]2CCCN(c3nc(C)ccc3C#N)C2)CC1 450772319 KWKDGJPNQIZGGQ-SFHVURJKSA-N 355.486 2.032 30 50 FEEA Cc1ccc(/C=N/N2C(=O)[C@@H]3[C@H]4C=C[C@@H]([C@@H]5C[C@H]45)[C@H]3C2=O)cc1[N+](=O)[O-] 253387527 RLGVJTSLMWJIQA-LBESNKSESA-N 351.362 2.290 30 50 FEEA C=C(C)CCC(=O)NS(=O)(=O)c1cc(Br)cc(C#N)c1 1875350326 IMYMGPMQNKUWGH-UHFFFAOYSA-N 357.229 2.482 30 50 FEEA COc1cc(C#N)ccc1OC[C@@H]1CCCN(C(=O)Cc2cc[nH]n2)C1 1857724630 KUEVYERWSUYEPX-OAHLLOKOSA-N 354.410 2.150 30 50 FEEA CC(C)c1noc([C@@H](NC(=O)c2ccc(C#N)cn2)C2CCOCC2)n1 328611736 MOSAXWKGWLOUGE-HNNXBMFYSA-N 355.398 2.357 30 50 FEEA Cc1csc([C@@H]2CSCCN2Cc2cc(O)n3ncc(C#N)c3n2)n1 2325803835 FKASBHRBKDHQFH-ZDUSSCGKSA-N 372.479 2.362 30 50 FEEA COc1ccc(OC)c([C@H]2C(C(C)=O)=C(O)C(=O)N2C[C@H]2CCCO2)c1 860920 RQOXTQMRPISMPA-DYVFJYSZSA-N 361.394 2.167 30 50 FEEA COC(=O)c1cc(C#N)c(N2CCC[C@H](Cn3ccnc3C)C2)nc1C 77554486 HSQXHEZCEWFJGB-OAHLLOKOSA-N 353.426 2.470 30 50 FEEA Cn1c([C@H]2CCCN2CC(=O)N[C@@](C)(C#N)C2CC2)nc2c1CCCC2 275569608 FFRUBXQRFZIFLJ-XLIONFOSSA-N 355.486 2.244 30 50 FEEA Cc1cc(C#N)ccc1C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O 192120853 XMIJKMBCHACQFF-IBGZPJMESA-N 358.401 2.269 30 50 FEEA COc1ccc(C(=O)Oc2ccc(/C=N/NC(N)=S)cc2OC)cc1 4282358 BSIAQZRBVVEAMJ-VXLYETTFSA-N 359.407 2.090 30 50 FEEA Cc1c(C#N)c2ccccc2n1CC(=O)N1C[C@@H](O)[C@H](Cc2ccncc2)C1 1857716371 JFBYSAYNEWABPE-DYESRHJHSA-N 374.444 2.278 30 50 FEEA Cn1ccnc(N2CCC[C@@H](/N=C(/O)c3cccc4c3CCC4)C2)c1=O 328631982 LBSUKYMAYHJCHF-OAHLLOKOSA-N 352.438 2.243 30 50 FEEA CC(C)=CC[C@@]1(C(=O)O)CCCN(C(=O)c2cc(C#N)c(=O)[nH]c2C)C1 91707983 OGQWYALFKQYKQW-IBGZPJMESA-N 357.410 2.218 30 50 FEEA N#Cc1cccnc1N1CCN(C(=O)[C@H]2CCOc3ccccc3C2)CC1 95512475 VHXAIXDGBADTRI-KRWDZBQOSA-N 362.433 2.243 30 50 FEEA CC(C)(O)C#Cc1cccc(C(=O)NCc2ccc(-n3cncn3)cc2)c1 217650449 SJAJUEUVFHPINO-UHFFFAOYSA-N 360.417 2.320 30 50 FEEA CC(=O)N1CCC[C@H](C(=O)NCCc2c(C)[nH]c3ccc(C#N)cc23)C1 91664523 OCAFXNNDAJBQEE-INIZCTEOSA-N 352.438 2.265 30 50 FEEA N#Cc1cn(-c2ccc(NC(=O)[C@H]3CCC(=O)c4cccn43)cc2)nc1N 886054682 GOMIBMLPOFXJBS-MRXNPFEDSA-N 360.377 2.284 30 50 FEEA CC(C)c1ccc(C#N)c(N[C@H]2CCN(C(=O)c3ccccn3)C[C@@H]2O)n1 1565509259 MTBFQKAKZIIECZ-WMZOPIPTSA-N 365.437 2.159 30 50 FEEA C=CCc1cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)cc(OC)c1OC 1172944 NSZYIDVFNGIDFR-UHFFFAOYSA-N 360.435 2.031 30 50 FEEA C=C(C)COc1ccc(C(=O)NCCC(=O)N2CCN(C(C)C)CC2)cc1 55343581 FKHQGSNDHMYCES-UHFFFAOYSA-N 373.497 2.314 30 50 FEEA CC(=O)N[C@H]1CC[C@H](C(F)(F)F)N(C(=O)Cc2ccc(C#N)cc2)C1 330572018 NBMLLQHPSAKNKT-LSDHHAIUSA-N 353.344 2.159 30 50 FEEA Cc1nc[nH]c1CN1C[C@@H]2CC[C@H](C1)CN2Cc1cc(C#N)n(C)c1C 1565513283 HKBKOPAJWSTNIK-AEFFLSMTSA-N 352.486 2.333 30 50 FEEA C#CCN(CC=C)C(=O)[C@H]1CCC(=O)N(CCc2ccc(OC)cc2)C1 15063509 VDHPMVWIPAGLGA-SFHVURJKSA-N 354.450 2.124 30 50 FEEA C[C@@H]1CN(C(=O)COc2ccc(Br)cc2C#N)C[C@@H](C)O1 123139737 FVIQXCOVDGTZTJ-GHMZBOCLSA-N 353.216 2.335 30 50 FEEA C=CCNC(=O)c1cccnc1N1CCN(Cc2ccncc2Cl)CC1 65394257 DCVGUAFNEYTTPZ-UHFFFAOYSA-N 371.872 2.368 30 50 FEEA COc1ccccc1C(=O)N1CCN(Cc2cc(C#N)n(C)c2C)CC1 72158239 HRFGHUSIKDMAAC-UHFFFAOYSA-N 352.438 2.172 30 50 FEEA Cc1cccc2nc(C(=O)N3CCN(c4ncccc4C#N)CC3)c(F)n12 97805752 FMOHUPDUALWDKM-UHFFFAOYSA-N 364.384 2.011 30 50 FEEA C=CC[C@]1(C(=O)O)CCCN(C(=O)CCN2Cc3ccccc3C2=O)C1 91536648 ZYJRVDWLZXRBJP-FQEVSTJZSA-N 356.422 2.302 30 50 FEEA Nc1n[nH]c(C2CCN(C(=O)CC3=C(c4ccccc4)CCC3=O)CC2)n1 952964878 AGDXAKBCXMHZCH-UHFFFAOYSA-N 365.437 2.300 30 50 FEEA COC(=O)c1cnn(-c2ccc(B3OC(C)(C)C(C)(C)O3)cn2)c1C1CC1 170004805 UPVMZOKLTNUUSP-UHFFFAOYSA-N 369.230 2.231 30 50 FEEA CCN(Cc1noc(C)n1)[C@@H]1CCCN(/C(O)=N/C[C@H]2CCCO2)CC1 328622526 BHEXVQKLTQWHAF-HZPDHXFCSA-N 365.478 2.147 30 50 FEEA N/C(=N/CCNC(=O)c1ccc(Br)cc1)NC1CCCCC1 261973992 FFQKEJFXQRTGPG-UHFFFAOYSA-N 367.291 2.416 30 50 FEEA O/C(=N/Cc1ccco1)N1CCO[C@H](c2ccnc(N3CCCC3)n2)C1 328642863 YOAUKBKQRDSZAI-INIZCTEOSA-N 357.414 2.157 30 50 FEEA CCS(=O)(=O)N1CCC[C@H](C(=O)Nc2sc3c(c2C#N)CCC3)C1 6746354 RTLNUESAKDOTND-NSHDSACASA-N 367.496 2.109 30 50 FEEA CN(CC1CCC(/N=C(/O)c2csnn2)CC1)C(=O)c1csnn1 329316051 SDPWLDHQYOWOSD-UHFFFAOYSA-N 366.472 2.025 30 50 FEEA N#Cc1cn(-c2ccc(NC(=O)[C@@H]3CCC(=O)c4cccn43)cc2)nc1N 886054675 GOMIBMLPOFXJBS-INIZCTEOSA-N 360.377 2.284 30 50 FEEA O=C(O/N=C(/c1ccc([N+](=O)[O-])cc1)N1CCOCC1)c1ccccc1 1228497 KGCYWKKDAFEFMV-ZPHPHTNESA-N 355.350 2.446 30 50 FEEA COc1ccc(CN2CC(=O)C(c3nc4ccccc4[nH]3)=C2N)cc1OC 5012154 YURGIRILHNDOOK-UHFFFAOYSA-N 364.405 2.292 30 50 FEEA C#CCOc1ccc(/C=C2/C(=O)NN(c3ccc(F)cc3)C2=O)cc1OC 13426466 AVFPULRYFFKWPI-WJDWOHSUSA-N 366.348 2.308 30 50 FEEA N#Cc1ccc(S(=O)(=O)N2C[C@@H](CO)[C@@H](c3ccsc3)C2)c(F)c1 328610143 GPBKQGMAYJMDIF-UONOGXRCSA-N 366.439 2.155 30 50 FEEA Cc1c(C(=O)N2CCCN(Cc3cccs3)CC2)cnc(O)c1C#N 72478363 TXWGFAKCVRSYEB-UHFFFAOYSA-N 356.451 2.377 30 50 FEEA COc1ccccc1N1CCN(C(=O)c2cc(C#N)c(O)nc2C)[C@@H](C)C1 72409199 WLJFOTLBUJILDZ-ZDUSSCGKSA-N 366.421 2.327 30 50 FEEA CCCOC(=O)NCCO/C(O)=N/S(=O)(=O)c1ccc(Cl)cc1 3149745 LGRUVTUKUKOXEE-UHFFFAOYSA-N 364.807 2.096 30 50 FEEA biogenic C=C(Br)CN1CCN(C(=O)c2cccc(N(C)C)c2)CC1 2325868389 YGSCVJUNAXACBW-UHFFFAOYSA-N 352.276 2.419 30 50 FEEA C[C@H](C/N=C(/O)N1CC[C@H](CS(C)(=O)=O)C1)c1ccc(F)cc1F 331163808 RRXZEUFGFMQGTD-NEPJUHHUSA-N 360.426 2.349 30 50 FEEA N#Cc1cnn(C(=O)[C@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)c1N 155957520 PSRVKNGTWBOODO-JTQLQIEISA-N 364.192 2.337 30 50 FEEA N#Cc1ccnc(N2CCC(C(=O)O)(n3ccc(-c4ccco4)n3)CC2)c1 72463002 JEPOGRLXBWMBJC-UHFFFAOYSA-N 363.377 2.490 30 50 FEEA C=CCN1CC2(CCC1=O)CCN(Cc1ccc(C(=O)N(C)C)o1)CC2 91755846 HKLVYGIEPPXNDD-UHFFFAOYSA-N 359.470 2.372 30 50 FEEA C=CCN1CC[C@H](CNC(=O)N(Cc2ccncc2)C2CCN(C)CC2)C1 820478083 RLTHPKNPORJPLW-LJQANCHMSA-N 371.529 2.195 30 50 FEEA CNC(=O)c1ccc([C@H]2CCCCN2C/C(O)=N/C2CCOCC2)n1C 328651964 WFHABHQVIWVFEB-MRXNPFEDSA-N 362.474 2.047 30 50 FEEA Cn1cc(C#N)cc1C(=O)N1CCC[C@@H](CNC(=O)c2ccc(F)cc2)C1 95516569 YPFIWPUJYUWEIE-AWEZNQCLSA-N 368.412 2.318 30 50 FEEA Cc1nc(O)c(C#N)cc1C(=O)N[C@H](c1ccc(F)cc1)[C@H]1C[C@@H](O)C1 253535589 HICJZFQMUZCPSQ-ISTRZQFTSA-N 355.369 2.348 30 50 FEEA CC(O)=Nc1ncc(S(=O)(=O)N2CCOc3nc(C)ccc32)s1 329190570 COAXSFLSHZJWOY-UHFFFAOYSA-N 354.413 2.042 30 50 FEEA CC[C@H]1CCCCN1CC(=O)N1CCCN(c2ccc(C#N)cn2)CC1 1772810235 DRKNFHRTFCVFET-SFHVURJKSA-N 355.486 2.256 30 50 FEEA N/C(=N\OC(=O)COc1ccc(Br)cc1)c1ccncc1 4318693 QUUZFORDYIZFKC-UHFFFAOYSA-N 350.172 2.087 30 50 FEEA C=CCn1c(Cc2ccccc2)nnc1SCC(=O)NC1=NCCS1 9263857 YKVOLJQBMFRYGS-UHFFFAOYSA-N 373.507 2.366 30 50 FEEA N#Cc1ccc(S(=O)(=O)N2C[C@@H](CO)[C@H](c3ccsc3)C2)c(F)c1 328610141 GPBKQGMAYJMDIF-KBPBESRZSA-N 366.439 2.155 30 50 FEEA CN(C)c1ccc(N[C@@H]2CCCN(/C(O)=N/CCn3cccn3)CC2)cn1 328630510 JKKIRMXVMFFEIM-MRXNPFEDSA-N 371.489 2.225 30 50 FEEA C=CCS(=O)(=O)N1CCC[C@@]2(CCC(=O)N(Cc3ccccc3)C2)C1 77538220 NZGNHEAFPUZZLJ-IBGZPJMESA-N 362.495 2.407 30 50 FEEA Cc1cc(C(=O)NC[C@@H]2CCCN(Cc3cc(C#CCO)cs3)C2)no1 828644635 OZWOUEXYYLZNIP-INIZCTEOSA-N 373.478 2.030 30 50 FEEA CNC(=O)[C@]12CCOC[C@H]1CN(c1ccc(C(F)(F)F)cc1C#N)C2 952851367 ZHVKCWPCTUKBIY-CJNGLKHVSA-N 353.344 2.166 30 50 FEEA Cn1ccc(N2CCC[C@H](O/N=C(/N)Cc3ccccc3Cl)C2=O)n1 170642635 GGDKQPSZCAAUGU-AWEZNQCLSA-N 361.833 2.100 30 50 FEEA C[C@H]1CN(C(=O)COc2ccc(Br)cc2C#N)C[C@@H](C)O1 123139310 FVIQXCOVDGTZTJ-PHIMTYICSA-N 353.216 2.335 30 50 FEEA NC(=O)C1CCN(C(=O)c2ccc(C#CC3(O)CCCCC3)cc2)CC1 759583 NPYGPPZSGLLKER-UHFFFAOYSA-N 354.450 2.071 30 50 FEEA C#CCCC1(CCC(=O)N[C@@H]2CCN(c3ccccc3OC)C2=O)N=N1 952879203 BOSXCDVFCQQXAO-CQSZACIVSA-N 354.410 2.272 30 50 FEEA CCCn1c(N/N=C(C)/C=C/c2ccccc2)nc2c1c(=O)[nH]c(=O)n2C 822327 JTOBARHDOQBEIW-VZHWJRQPSA-N 366.425 2.335 30 50 FEEA C=C1C(C)(C)[C@H]2CC[C@]1(C(=O)N1CCC(Cn3cc(CO)nn3)CC1)C2 20598305 HHTWFZZLDFZYCN-JXFKEZNVSA-N 358.486 2.392 30 50 FEEA CC1(C)OB(c2cc(B3OC(C)(C)C(C)(C)O3)n(C3CCC3)n2)OC1(C)C 606241695 ZZXOKFXWDHYZDU-UHFFFAOYSA-N 374.099 2.207 30 50 FEEA CC(C)(O)C#Cc1ccc(C(=O)NCc2csc(-c3ncccn3)n2)o1 1506422760 USQHDRCFEXTXAN-UHFFFAOYSA-N 368.418 2.246 30 50 FEEA C=CCn1c(C)cn2c3c(=O)n(Cc4cccc(C)c4)c(=O)n(C)c3nc12 4251022 DDGXXVMADROQPU-UHFFFAOYSA-N 363.421 2.001 30 50 FEEA N#Cc1ccccc1N1CCN(C(=O)c2cccc(-c3ncn[nH]3)c2)CC1 20295469 WKEHLGTZMGXAGC-UHFFFAOYSA-N 358.405 2.306 30 50 FEEA Cc1nc(CN(C)[C@@H]2CCN(Cc3cn4ccccc4c3C#N)C2)no1 363628810 XUIGSNWRLONLJW-MRXNPFEDSA-N 350.426 2.209 30 50 FEEA Cc1ccccc1N1CCN(C(=O)c2c[nH]c(=O)c(C#N)c2C)[C@@H](C)C1 77523673 JOHUPOXHJDOUHR-AWEZNQCLSA-N 350.422 2.214 30 50 FEEA N#Cc1cnc(N[C@@H]2CCN(C(=O)[C@H]3C[C@H]3F)CCC2(F)F)c(F)c1 1875407458 AHYGIZBIBWPQQZ-DMDPSCGWSA-N 356.323 2.489 30 50 FEEA C#CCNS(=O)(=O)c1cccc(C(=O)N2CC[C@@H]2Cc2ccccc2)c1 748010439 INKNGUSJHWFEFG-GOSISDBHSA-N 368.458 2.055 30 50 FEEA CC(C)(C)OC(=O)N1CC[C@H](n2cc(B3OC(C)(C)C(C)(C)O3)cn2)C1 201188592 IGWFVUAHNXWIFY-AWEZNQCLSA-N 363.267 2.364 30 50 FEEA in-vitro O=C(O)COc1ccccc1/C=N/N1CCN(Cc2ccccc2)CC1 945541 IOSKDDSUQPGRIV-KGENOOAVSA-N 353.422 2.302 30 50 FEEA Oc1ccccc1/C=N/N=c1/cc(N2CCCC2)[nH]c(N2CCCC2)n1 4599116 DQKPHLGVAIUODJ-XSFVSMFZSA-N 352.442 2.251 30 50 FEEA N#Cc1ccc(S(=O)(=O)N[C@@H]2C[C@H]3OCCC[C@@H]23)cc1C(F)(F)F 249955175 VPFAIJHMNKPCFD-IACUBPJLSA-N 360.357 2.423 30 50 FEEA Cc1ccc(C(=O)N2C[C@@H](C)O[C@@H](CO)C2)cc1N=C(O)NC(C)(C)C 330990458 MOHDPIJWPWKMOA-UKRRQHHQSA-N 363.458 2.150 30 50 FEEA CC(C)(O)C#Cc1ccc(CN2CCC[C@@H](CS(C)(=O)=O)C2)s1 824864181 LISXLJUYMQYDMV-CQSZACIVSA-N 355.525 2.127 30 50 FEEA CN(CCC#N)C[C@H](O)CSc1nc(-c2ccc3c(c2)CCC3)n[nH]1 414121682 ASXIKGSINLWYBL-INIZCTEOSA-N 357.483 2.259 30 50 FEEA CNS(=O)(=O)c1ccc(-c2cc(-c3ccc[nH]3)nc(N)c2C#N)cc1 71589662 IKPSRYZNRMYBAG-UHFFFAOYSA-N 353.407 2.106 30 50 FEEA CN1CCN(Cc2ccc(C(O)=Nc3c4c(nn3C)CCC4)cc2)CC1 329183742 FSBYOHWEIBTVBI-UHFFFAOYSA-N 353.470 2.293 30 50 FEEA C=C(C)CN(C)Cc1cnc(S(=O)(=O)CC2CC2)n1C[C@H]1CCCO1 55252649 OUOLPXNTTNUXOE-QGZVFWFLSA-N 367.515 2.254 30 50 FEEA CCOc1ccccc1CN1CCN(c2cccc(C#N)n2)C[C@H]1CCO 107001651 FQLFVOZUJRVQLZ-LJQANCHMSA-N 366.465 2.425 30 50 FEEA N#Cc1ncccc1S(=O)(=O)N[C@@H](c1ccccc1)C1CCOCC1 372992794 ZACULJWRKXTGCZ-SFHVURJKSA-N 357.435 2.399 30 50 FEEA CCN1CCCN(C(=O)c2ccc(-c3cnc4c(C#N)cnn4c3)cc2)CC1 534671370 XAGGZSCQGMIOGS-UHFFFAOYSA-N 374.448 2.436 30 50 FEEA CC1(C)OB(c2ccc(C(=O)N3CCOCC3)c(Cl)c2)OC1(C)C 169746620 MKHFRXPMAZUUCQ-UHFFFAOYSA-N 351.639 2.112 30 50 FEEA C=CCN1CC[C@@]2(CCC1=O)CN(Cc1ccc(OC)c(O)c1)CCN2C 95364521 ZHAJCYUZZKUYQB-NRFANRHFSA-N 373.497 2.086 30 50 FEEA N#Cc1ccc(C(=O)N2C[C@H]3CC[C@@H]2CN(Cc2cscn2)C3)cn1 91469005 XSZOWRJARWEQKN-SUMWQHHRSA-N 353.451 2.146 30 50 FEEA CC[C@@H](C)C(=O)Nc1ccccc1C(=O)N1CCn2nc(C#N)cc2C1 952871848 CZBVFTCICPOOEX-CYBMUJFWSA-N 351.410 2.395 30 50 FEEA COCc1ccc(C(=O)NC[C@H]2CCn3ncc(/C(O)=N/C(C)C)c3C2)o1 328603790 HFSOOGVMAFHJPK-ZDUSSCGKSA-N 374.441 2.328 30 50 FEEA CCn1nc(C)c(CC(O)=Nc2ccc(N3CCN(C)CC3)cn2)c1C 329370694 JWIJMKMVZQPMBA-UHFFFAOYSA-N 356.474 2.497 30 50 FEEA CCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CCCN(O)C1=O 848136618 ZCWUVTSVRBLKJV-LBPRGKRZSA-N 353.400 2.207 30 50 FEEA CC(C)CN1CCN(S(=O)(=O)c2ccc(C#N)cc2Cl)[C@H](C)C1=O 494377214 MGUIAKNPTGGPPI-GFCCVEGCSA-N 369.874 2.089 30 50 FEEA C=CCC(O)(CC=C)[C@@H](C)NC(=O)c1nccnc1C(=O)N1CCCCC1 670455417 IZPZLZOUPWVOGH-OAHLLOKOSA-N 372.469 2.104 30 50 FEEA N#Cc1cccc(ONC(=O)CNC(=O)c2ccc(C(F)(F)F)cc2)c1 1471085517 GJHMFKWUVAZKSZ-UHFFFAOYSA-N 363.295 2.417 30 50 FEEA C=CCN(CC=C)Cc1c(C(=O)N2CCOCC2)nc2c(C)cccn12 19739573 YMVDJAUSIXVFNQ-UHFFFAOYSA-N 354.454 2.289 30 50 FEEA Cc1cc(Br)ccc1S(=O)(=O)Nc1c(C#N)cnn1C 156287103 AQSMEESEUHXYJJ-UHFFFAOYSA-N 355.217 2.164 30 50 FEEA N#Cc1c(N)nc2c(c1-c1cnc(NCC(=O)O)nc1)CCc1ccccc1-2 71754124 NELAEZJJRBURME-UHFFFAOYSA-N 372.388 2.255 30 50 FEEA CCc1nc(C#N)cc(=N[C@@H](C)c2cccc(N3CCCS3(=O)=O)c2)[nH]1 1875267448 BDAWJNRSGPWTLU-ZDUSSCGKSA-N 371.466 2.046 30 50 FEEA N#Cc1nccc(N2CC[C@@](c3nc(C4CC4)no3)(C(F)(F)F)C2)n1 952892421 DFYMRFXJCSVHJC-CQSZACIVSA-N 350.304 2.319 30 50 FEEA CC(C)c1c(O)nnn1CCOc1ccc(B2OC(C)(C)C(C)(C)O2)cc1 169746194 DLCGSWBNPOKAFL-UHFFFAOYSA-N 373.262 2.485 30 50 FEEA in-vitro COc1ccc(S(=O)(=O)N=C2C=CC(=O)C(Br)=C2)cc1 1857666362 MYZJVSICKXOQEK-UHFFFAOYSA-N 356.197 2.243 30 50 FEEA N#Cc1ccc(CN2CCC(NC[C@@H](CO)c3cccnc3)CC2)cc1 367560799 AYSIPIRABNAOCH-FQEVSTJZSA-N 350.466 2.283 30 50 FEEA C#CCN1C(=O)[C@@](O)(CC(=O)c2ccc(OC)cc2OC)c2ccccc21 915200 OXSKIPBBEQFYPQ-OAQYLSRUSA-N 365.385 2.144 30 50 FEEA COCCN1C[C@H]2CC[C@@H]1CN(Cc1ccc(C#CC(C)(C)O)cc1)C2 91486639 ROQRMFSRLMUFOA-LEWJYISDSA-N 356.510 2.352 30 50 FEEA Cc1cc(F)c(CC(=O)NS(=O)(=O)c2cccc(C#N)c2)cc1F 1875350394 KXDNZHZGYFXSGK-UHFFFAOYSA-N 350.346 2.193 30 50 FEEA CC(=O)NCc1cc(O[C@H]2CCN(Cc3cc(C#N)cs3)C2)ccn1 886072145 WJPWLUCHLWHUGX-KRWDZBQOSA-N 356.451 2.304 30 50 FEEA C=CCOc1c(Cl)cc(CNCCNS(C)(=O)=O)cc1Cl 55167304 IXCRMRJKWLEYLV-UHFFFAOYSA-N 353.271 2.197 30 50 FEEA COc1nccc(N2CCN(Cc3cc(C)cc(C)c3)C(=O)C2)c1C#N 77354319 PZJIAGXVUFFAQK-UHFFFAOYSA-N 350.422 2.428 30 50 FEEA C=CCN1CC[C@@]2(CCC1=O)CN(Cc1ccc(C(=O)O)cc1)CCN2C 91894459 NEBMXBUBANOFGF-NRFANRHFSA-N 371.481 2.070 30 50 FEEA NC(=S)NN=Cc1cc(Br)cc(Br)c1O 254348506 KOUSSFCOFUJIJA-UHFFFAOYSA-N 353.039 2.084 30 50 FEEA CC1(C)CCCN(C(=O)CCC(=O)N2CC(=O)Nc3ccccc32)[C@@H]1C#N 278055004 VWJZETWDFSEXAA-MRXNPFEDSA-N 368.437 2.293 30 50 FEEA Cn1nc(-c2cccnc2)c2c1NC(=O)C[C@H]2c1cc(C#CCO)cs1 65528202 OMXXKNYHJMJDLH-AWEZNQCLSA-N 364.430 2.362 30 50 FEEA CN(C)c1ccc(N[C@@H]2CCCN(C(=O)c3cc(C#N)c[nH]3)CC2)cn1 328625369 DBTMKFFQHVECEW-OAHLLOKOSA-N 352.442 2.454 30 50 FEEA O=C1[C@@H]2CC[C@@H](CN(Cc3cc(C#CCO)cs3)C2)N1CC1CCC1 219370881 OFZWPBABAOCFOE-MSOLQXFVSA-N 358.507 2.315 30 50 FEEA N#Cc1cccc(-c2cccc(C(=O)N[C@H]3COC[C@@H]3N3CCCC3)c2)n1 426618095 IPXRHBOJHRYNHH-PMACEKPBSA-N 362.433 2.213 30 50 FEEA N#Cc1ccc(O[C@H]2CCOC[C@@H]2NC(=O)c2cn3ccsc3n2)cc1 1565509303 OERRZBYOCRIQGS-HOTGVXAUSA-N 368.418 2.234 30 50 FEEA CCN(Cc1ccc(C(=O)Nc2sccc2C#N)cc1)[C@H]1COC[C@@H]1O 65493194 ITCNFMNZZSJSPK-IRXDYDNUSA-N 371.462 2.454 30 50 FEEA CS(=O)(=O)NC1CCN(Cc2ccc(-c3ccccc3C#N)o2)CC1 215534219 SMTYEVIGHXQGFK-UHFFFAOYSA-N 359.451 2.332 30 50 FEEA N#Cc1cccc([C@@H]2CN(C(=O)c3cn(-c4ccccc4)nn3)CCO2)c1 362443098 VFLDESIIWMRMIA-IBGZPJMESA-N 359.389 2.353 30 50 FEEA N#Cc1ccc(O[C@H]2CCN(C[C@@H]3CN(c4ccccc4)C(=O)O3)C2)nc1 292156202 KNTHFQMIPCJQBO-ZWKOTPCHSA-N 364.405 2.432 30 50 FEEA C=CCN1CC[C@@]2(CCC1=O)CN(C(=O)N(C)c1ccccc1)CCN2C 91644967 IZKKENYTPAZEIS-NRFANRHFSA-N 370.497 2.428 30 50 FEEA C#CCCC1(CCC(=O)N2C[C@H](c3cnn(C)c3)C3(CCOCC3)C2)N=N1 952882372 VCTQUKWNZICEGP-QGZVFWFLSA-N 369.469 2.498 30 50 FEEA CC[C@@H]1C[C@@H]1C(=O)NC[C@@H]1CC2(CO1)CN(c1ncc(C#N)cc1C)C2 1875407924 KHMQYXQBFAWTAD-IKGGRYGDSA-N 354.454 2.019 30 50 FEEA C=CCn1nc(C(=O)N2CCSCC2)c2c1CC[C@@H](NCC(C)C)C2 14752725 QSVQIIDGRUUYBK-OAHLLOKOSA-N 362.543 2.361 30 50 FEEA CN(C)c1ccc([C@@H]2CCCN2C(=O)c2ccccc2OCC#N)nn1 818340602 STPCURJODZTWGH-INIZCTEOSA-N 351.410 2.422 30 50 FEEA COc1ccc(N2CCN(CC(=O)Nc3ccccc3C#N)CC2)cc1 55561957 ZEDYQCHSUNPJED-UHFFFAOYSA-N 350.422 2.328 30 50 FEEA CCC#CC[C@H](C)[C@H](O)C#C[C@@H]1[C@H]2C/C(=C/COCC(=O)O)C[C@H]2C[C@H]1O 5458371 ARUGKOZUKWAXDS-SEWALLKFSA-N 374.477 2.225 30 50 FEEA in-man C=C[C@H]1CN(C(=O)Cc2cc(C(F)(F)F)nn2C)CC[C@H]1CC(=O)O 1875303557 DFSDGNXXCHXYDD-QWRGUYRKSA-N 359.348 2.107 30 50 FEEA N#Cc1c(F)cccc1S(=O)(=O)N1C[C@@H](CO)[C@H](c2ccsc2)C1 328612574 PFTHJXLAJLWKFN-JSGCOSHPSA-N 366.439 2.155 30 50 FEEA Cn1c(CN2CCCCC2)nnc1[C@@H]1CCCN(c2ncccc2C#N)C1 72470765 ZBDDRDCLJSLLIC-QGZVFWFLSA-N 365.485 2.452 30 50 FEEA C=CCN1C[C@@H](C(=O)Nc2c(-c3ccccc3OC)c(C)nn2C)CC1=O 1529159178 PXXXGEANIVYMKJ-AWEZNQCLSA-N 368.437 2.377 30 50 FEEA CCOc1cc2c(cc1OC)[C@H](NC(=O)C(F)(F)F)/C(=C/N(C)C)C2=O 12860496 LCZNRHJSPDWWLG-MSKHEQNASA-N 372.343 2.455 30 50 FEEA C=CCn1c(=O)c2c(nc3n(-c4ccc(F)cc4)c(C)c(C)n23)n(C)c1=O 4250839 TUCDUQILRBZVLR-UHFFFAOYSA-N 367.384 2.081 30 50 FEEA O=C1N=C(O)CN1C/C(O)=N/C[C@@H](NCc1ccccc1)C(F)(F)F 328592374 JXWGVFFBYUWTIF-LLVKDONJSA-N 358.320 2.056 30 50 FEEA CN1CCC(n2ncc3c2NC(=O)C[C@@H]3c2cc(C#CCO)cs2)CC1 65492099 IGMVDVKPNGBLNM-HNNXBMFYSA-N 370.478 2.029 30 50 FEEA N#CCC[C@H](C#N)CN1C(=O)N[C@@]2(CCCN(Cc3ccccc3)C2)C1=O 225165082 JBYZOCSPCCQTNG-YLJYHZDGSA-N 365.437 2.017 30 50 FEEA COC(=O)c1sc(N2CCN(c3ccc(C#N)nc3)CC2)nc1Cl 225814152 RETWVNKEDLHFIA-UHFFFAOYSA-N 363.830 2.176 30 50 FEEA Cc1cccc(N2CCN(S(=O)(=O)c3cccnc3C#N)CC2)c1C 276999292 JOUVUJGKXPCGBZ-UHFFFAOYSA-N 356.451 2.081 30 50 FEEA CN1C[C@H](/N=C(/O)N2CC[C@@]3(CCCN(Cc4ccccc4)C3)C2)CC1=O 330121272 GUBKLIZBZJRQGO-WIYYLYMNSA-N 370.497 2.119 30 50 FEEA N/C(=N\OC(=O)c1ccco1)c1ccc(I)cc1 4825652 NEWUKPASVMNHMW-UHFFFAOYSA-N 356.119 2.362 30 50 FEEA COc1ccc(F)cc1[C@@H](C(=O)O)N1CCN(c2ccc(C#N)cn2)CC1 55357651 ZLCRUGLIOHVERF-SFHVURJKSA-N 370.384 2.049 30 50 FEEA C#CC(C)(C)OC[C@H](O)CN1CCN(Cc2ccc(Cl)cc2)CC1 22916846 JUTHJVCZRGYUPJ-GOSISDBHSA-N 350.890 2.247 30 50 FEEA CC[C@@]1(C2CCN(c3nc4c(cc3C#N)CCCC4)CC2)NC(=O)NC1=O 67847497 VUHIEMOOSDVRMF-FQEVSTJZSA-N 367.453 2.037 30 50 FEEA COC(=O)c1cc(C#N)c(N2CCC(C(=O)N3CCCCC3)CC2)nc1C 77454423 NPTJXSMVEQUGQZ-UHFFFAOYSA-N 370.453 2.277 30 50 FEEA N#Cc1ccsc1C(=O)N1CCO[C@@H](c2ccnc(N3CCCC3)n2)C1 328632780 SEFHGVHWLMXFEQ-OAHLLOKOSA-N 369.450 2.224 30 50 FEEA CC(C)CN1CCN(Cc2ccc(C#CC(C)(C)O)cc2)C[C@@H]1CCO 19720725 GWJWKHBCSBIDAQ-NRFANRHFSA-N 358.526 2.334 30 50 FEEA C=CCNC(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(OC)cc1 2961687 LQYHIFUHQQYDKH-UHFFFAOYSA-N 360.435 2.193 30 50 FEEA C=CCNC(=O)Cn1nc(-c2ccccc2)n(CCc2ccccc2)c1=O 77485832 DXDICTGZMDMSIK-UHFFFAOYSA-N 362.433 2.257 30 50 FEEA Cc1ccc(CN(C)/C(O)=N/[C@@H]2CCO[C@@]3(CCS(=O)(=O)C3)C2)s1 329293705 RSZZIIZMLONEBZ-CJNGLKHVSA-N 372.512 2.139 30 50 FEEA C=CCc1cc(C(=O)N2CCC3(CC2)CN[C@H](C(=O)O)C3)ccc1OC 91474646 HIQOUHJVAMMYIN-INIZCTEOSA-N 358.438 2.093 30 50 FEEA CC(C)n1cnc(C(=O)N2CC[C@@H](C)[C@H](CNc3cncc(C#N)n3)C2)c1 1875333861 OBQPUEALAHMXTB-HUUCEWRRSA-N 367.457 2.336 30 50 FEEA CO[C@H]1COCC[C@@H]1NS(=O)(=O)c1sc2ccc(C#N)cc2c1C 1565507391 HCISTKDJJIPNJC-KBPBESRZSA-N 366.464 2.164 30 50 FEEA CC(C)c1noc([C@H](N/C(O)=N/[C@@H]2CCO[C@H]2C)C2CCOCC2)n1 328645915 ZUHLTUXWDJOYRG-IACUBPJLSA-N 352.435 2.342 30 50 FEEA Cc1cnc([C@@H](C)CNC(=O)N2CCN(c3ncccc3C#N)CC2)s1 184430871 CRKKCPMIIMFFIW-ZDUSSCGKSA-N 370.482 2.354 30 50 FEEA N#Cc1cc(Br)cnc1N[C@@H]1C[C@H](Cn2cccn2)C[C@H]1O 1875398989 KZNHVVBTEKPBQY-ZLKJLUDKSA-N 362.231 2.164 30 50 FEEA C=CCCC(=O)NC[C@H]1[C@H]2CN(C(=O)Cc3ccccc3)C[C@]23CC[C@H]1O3 1857734305 OVOKIGRYWJJNPL-JZJXAQOMSA-N 368.477 2.318 30 50 FEEA CN1C[C@H](/N=C(/O)N2CC[C@]3(CCCN(Cc4ccccc4)C3)C2)CC1=O 330121271 GUBKLIZBZJRQGO-NQIIRXRSSA-N 370.497 2.119 30 50 FEEA C=CCn1nc(C(=O)O)c2c1CC[C@@H](NCc1ccc3c(c1)OCO3)C2 67885490 HGPZSTWPEFDOJW-CYBMUJFWSA-N 355.394 2.143 30 50 FEEA COc1ccccc1CC(=O)NC1CCN(c2ncccc2C#N)CC1 223932369 DNCJVONYXPAHAH-UHFFFAOYSA-N 350.422 2.290 30 50 FEEA C#CCCCS(=O)(=O)N1CCc2nnc(-c3ccc(F)cc3)cc2C1 952893582 NHQLMSZJYXNHRR-UHFFFAOYSA-N 359.426 2.384 30 50 FEEA C#CCN(Cc1ccco1)C(=O)[C@@H]1CCC(=O)N(CCc2ccccn2)C1 12307043 PULPTDSCMFKNKD-QGZVFWFLSA-N 365.433 2.118 30 50 FEEA CC(=O)C1=C(O)C(=O)N(Cc2cccnc2)[C@H]1c1ccc([N+](=O)[O-])cc1 4755939 PTVDMWWBFGWDPM-INIZCTEOSA-N 353.334 2.474 30 50 FEEA CCOC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c(NC)c([N+](=O)[O-])c1 170008495 NYWKGWRFUUZJLD-UHFFFAOYSA-N 350.180 2.112 30 50 FEEA Nc1ccccc1/C(O)=N/CC/N=C(/O)[C@@H]1Cc2ccccc2C(=O)O1 328594510 PMVNJRQFCUENIK-INIZCTEOSA-N 353.378 2.312 30 50 FEEA C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)c1ccc(Cl)cc1F 160956528 WXUPLCQGDHOKLG-NSHDSACASA-N 359.792 2.492 30 50 FEEA CC(C)c1noc([C@H](N/C(O)=N/C[C@H]2CCCO2)C2CCOCC2)n1 328617261 COPOPEQVEZDRPK-ZIAGYGMSSA-N 352.435 2.343 30 50 FEEA Cc1ccc(C#N)cc1S(=O)(=O)N1CC[C@H](Oc2cccnc2C)C1 328633693 STZUKZNVWPOEIW-INIZCTEOSA-N 357.435 2.412 30 50 FEEA Cc1ccc(/C=N/N2C(=O)[C@H]3[C@H]4C=C[C@H]([C@H]3C2=O)[C@@H]2C[C@@H]42)cc1[N+](=O)[O-] 239403046 RLGVJTSLMWJIQA-OMDWYFEUSA-N 351.362 2.290 30 50 FEEA CCSc1ncc([C@@H](C#Cc2c(C)nn(C)c2C)N2CCOCC2)cn1 96164976 FPXWNERZBXEYQA-GOSISDBHSA-N 371.510 2.364 30 50 FEEA CC1CC(C#N)(C(=O)N2CC[C@H](c3cc(O)nc(N4CCCC4)n3)C2)C1 864856486 PBAJBKOQRYQLIP-BIWSTMPVSA-N 355.442 2.038 30 50 FEEA N#CCCN(CCC#N)C(=O)CN1CCC[C@@H]1c1nc2c([nH]1)CCCC2 275941179 LHXRPPBIYVDROR-QGZVFWFLSA-N 354.458 2.081 30 50 FEEA Nc1nonc1/C(=N\OCc1ccc(Cl)cc1Cl)N1CCOCC1 1196794 XFFXMKUGMYGWBR-XSFVSMFZSA-N 372.212 2.169 30 50 FEEA C=CCn1nnc(NC(=O)c2ccc(OCC)c(Br)c2)n1 10010734 KQXPSDVWZTULOL-UHFFFAOYSA-N 352.192 2.273 30 50 FEEA CCc1ccccc1N=C(O)CN1CCN(C(=O)C#C[C@@H]2CCOC2)CC1 328590004 UMCGRRDZCQCTLQ-QGZVFWFLSA-N 369.465 2.021 30 50 FEEA Cc1nc(CN(C)[C@@H]2CCCN(C(=O)c3sccc3C#N)CC2)no1 328631755 KVVQSSVABUQXOE-CQSZACIVSA-N 359.455 2.438 30 50 FEEA CN(C[C@@H]1OCCN(C)[C@H]1c1ccccc1)C(=O)c1ccnc(C#N)c1 284941302 VHBCAIAFYJZFHC-OALUTQOASA-N 350.422 2.097 30 50 FEEA N#Cc1cccnc1N1CCC(N[C@H]2CCOC3(CCOCC3)C2)CC1 82121502 OWEYEQGDJOWPDM-SFHVURJKSA-N 356.470 2.240 30 50 FEEA COc1cc(/C=N/N2C(=O)[C@H]3[C@H]4C=C[C@@H]([C@H]5C[C@H]54)[C@H]3C2=O)cc(Cl)c1O 245380630 DOAZLJJZTAJMSX-OQFQAOMFSA-N 372.808 2.441 30 50 FEEA COc1ccc(C(=O)C2=C(O)C(=O)N(CCO)[C@@H]2c2ccccc2F)cc1 17146609 OLIIKKMLTLHSEE-QGZVFWFLSA-N 371.364 2.405 30 50 FEEA COC(=O)c1cc(C#N)c(N[C@@H]2COC[C@H]2Cc2ccncc2)nc1C 2356164496 VMLYEFOUDOPPAR-NVXWUHKLSA-N 352.394 2.113 30 50 FEEA Cc1ccc(C#N)cc1S(=O)(=O)NC(=O)[C@@H]1Oc2ccccc2[C@@H]1C 118149002 OMHULIOQZCOHHN-YVEFUNNKSA-N 356.403 2.236 30 50 FEEA CCc1ccc([C@H](C/N=C(/O)N2CCC[C@@H](NC(C)=O)C2)N(C)C)cc1 330470577 ATWFLUGWXMRRKM-MOPGFXCFSA-N 360.502 2.366 30 50 FEEA Cc1ccc(O[C@H]2CCN(S(=O)(=O)c3cc(C#N)ccc3C)C2)cn1 328628534 NUUFCYXHJUZLNG-KRWDZBQOSA-N 357.435 2.412 30 50 FEEA COc1cc(C#N)ccc1CN1CCC(C[C@H]2OCC[C@H]2C(N)=O)CC1 952889801 GNMQBYIEWLGBCP-IEBWSBKVSA-N 357.454 2.059 30 50 FEEA N#C[C@@H]1CN(C(=O)c2ccc(-c3noc(C(F)(F)F)n3)cc2)CCO1 170623033 VRUIPLBLZUMRED-LLVKDONJSA-N 352.272 2.120 30 50 FEEA COc1cccc([C@@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2CCN(C)C)c1 13570638 BVOBHVMGPNNOLW-QGZVFWFLSA-N 370.405 2.428 30 50 FEEA C[C@@H](C(=O)NC1(C#N)CCCCC1)N1CCC[C@H](N2CCCC2=O)CC1 334017557 BTYZOEJUPOUKTC-IRXDYDNUSA-N 360.502 2.194 30 50 FEEA CC(=O)C1=C(O)C(=O)N(CCC(=O)O)[C@H]1c1ccc(Br)cc1 4126037 KTEOAONWEVUWBG-ZDUSSCGKSA-N 368.183 2.208 30 50 FEEA Cc1ccsc1[C@@H]1C2=C(CCCC2=O)Nc2c1c(=O)n(C)c(=O)n2C 4279360 APGLUPDMEYLDBU-CYBMUJFWSA-N 357.435 2.018 30 50 FEEA COc1cc(/C=N\n2cnnc2)ccc1OCC(=O)Nc1ccc(C)cc1 32657381 HPFWXLCXJCLVGW-YVNNLAQVSA-N 365.393 2.495 30 50 FEEA N#Cc1ccccc1-c1ccc(C(=O)N2C[C@@H](CO)[C@@H](CCO)C2)cc1 1875308623 OUZNICPVYXGEES-OALUTQOASA-N 350.418 2.288 30 50 FEEA CN1[C@H]2CC[C@@H]1Cc1nc(N)c(C#N)c(-c3ccc(S(C)(=O)=O)cc3)c12 1565526032 NCDSQZNPUVLVSE-WBMJQRKESA-N 368.462 2.297 30 50 FEEA C#CCCC1(CCC(=O)N[C@H](c2nn[nH]n2)c2cc(F)ccc2F)N=N1 2325894762 NSLBOCUGMXZRMV-AWEZNQCLSA-N 359.340 2.039 30 50 FEEA Cc1cc(-c2c(C#N)c(N)nc3c2CN(C(=O)c2cnccn2)CC3)oc1C 72161473 ZNFOUADBZRMKNH-UHFFFAOYSA-N 374.404 2.401 30 50 FEEA C=CCN1C[C@@H](C)N(C(=O)c2cccc(OC)c2OCCCN)C[C@H]1C 426387869 NEVMNVIYOSNRIR-HZPDHXFCSA-N 361.486 2.144 30 50 FEEA CCn1cc(CN(C)CCNc2cc([C@@H]3CCOC3)ncn2)cc1C#N 299793898 JENWAGVBJYJNAO-MRXNPFEDSA-N 354.458 2.217 30 50 FEEA Cc1cc(C(=O)N2CCCNC(=O)[C@H]2C)c(C)n1-c1ccc(C#N)cc1 188085322 PAPZQYKIDPQIKP-OAHLLOKOSA-N 350.422 2.316 30 50 FEEA N#Cc1ccc(N2CCN(C(=O)N[C@@H]3CCC[C@H]4OCC[C@@H]34)CC2)c(F)c1 247301453 HWJJCLXPUISDPW-KVSKMBFKSA-N 372.444 2.487 30 50 FEEA C[C@@H]1CCCC[C@H]1NC(=O)CN1C(=O)N[C@@](C)(c2cccc(C#N)c2)C1=O 229770031 JRXUBIGWYLKOAD-AUJRIZCKSA-N 368.437 2.020 30 50 FEEA Cc1cnn([C@H]2CCN(/C(O)=N/C3CCN(c4nccs4)CC3)C2)c1 329669230 RGPFDNGNPBNNTK-HNNXBMFYSA-N 360.487 2.478 30 50 FEEA N#Cc1c(N)nc(NCCCN2CCOCC2)nc1-c1ccc(Cl)cc1 214079467 FPVPLMDKHBEMOF-UHFFFAOYSA-N 372.860 2.385 30 50 FEEA N#Cc1ccc(N2CCC[C@@H]2C(=O)N=[S@]2(=O)CC[C@@]3(CCCN3)C2)cc1 1875405392 FPRGTMSOMBMEMO-LGRWACDXSA-N 372.494 2.048 30 50 FEEA CCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCCN(O)C1=O 848136617 ZCWUVTSVRBLKJV-GFCCVEGCSA-N 353.400 2.207 30 50 FEEA N#Cc1ccccc1C(=O)N1CC[C@@H](CNC(=O)CC2CCCC2)[C@H](O)C1 72431791 FSZCCXACEAFKTF-PKOBYXMFSA-N 369.465 2.078 30 50 FEEA N#Cc1ccc(C(=O)N2CCC[C@@]3(CCC(=O)N(CC4CC4)C3)C2)cn1 77518510 FKAMVGGJRAJYFJ-HXUWFJFHSA-N 352.438 2.208 30 50 FEEA C=CCn1c(SCC(=O)N2CCCCCC2)nnc1C1CCNCC1 426445648 QMKYSZCPYDPDHK-UHFFFAOYSA-N 363.531 2.426 30 50 FEEA COCCCN1CCC[C@@]2(CCN(C(=O)c3cccc(C#N)c3)C2)C1=O 91650729 IQPZJZGBKSDOKF-FQEVSTJZSA-N 355.438 2.049 30 50 FEEA CN(C)CCn1ccnc1[C@H]1CCCN(C(=O)c2ccccc2C#N)C1 95380249 VTINZINJGFMEKN-KRWDZBQOSA-N 351.454 2.336 30 50 FEEA CN(C[C@@H]1CCCN1C)C(=O)N1CC[C@H](B2OC(C)(C)C(C)(C)O2)C1 1875366712 AEYJXZHCIQCQHF-GJZGRUSLSA-N 351.300 2.301 30 50 FEEA Cc1ccc(S(=O)(=O)OC[C@@H]2CN(C(=O)OC(C)(C)C)CCO2)cc1 82046446 LOBHRXDXENCDIZ-AWEZNQCLSA-N 371.455 2.336 30 50 FEEA in-vitro Cc1noc(C)c1CN1C(=O)[C@@H]2CC[C@H]1CN(c1ccc(C#N)cn1)C2 222483878 LFMLGVULFYOSHA-CVEARBPZSA-N 351.410 2.186 30 50 FEEA CN1CCNC(=O)C12CCN(Cc1ccccc1C#Cc1ccccc1)CC2 67934951 OSVXECQFBHOMKT-UHFFFAOYSA-N 373.500 2.483 30 50 FEEA CC(C)(O)C#Cc1ccc(C(=O)N2CCN(Cc3cccc(O)c3)CC2)o1 1506418331 WVLMGTCQOOGCLS-UHFFFAOYSA-N 368.433 2.066 30 50 FEEA CCOc1cc(C=NN2C(=O)[C@H]3[C@H]4C=C[C@@H]([C@H]5C[C@H]54)[C@H]3C2=O)ccc1O 245227080 YTDUBYPQQWZWGR-UQBFBZJBSA-N 352.390 2.178 30 50 FEEA NS(=O)(=O)c1ccc(CC/N=C(/S)Nc2ccc(F)cc2)cc1 13520462 GIKLLZIRTRLDOU-UHFFFAOYSA-N 353.444 2.414 30 50 FEEA C[C@H](N)[C@H]1CCCN(S(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)C1 237427806 ZDQIOAVQOFWYCB-JQWIXIFHSA-N 361.389 2.325 30 50 FEEA CC1CC(C#N)(C(=O)N2CC[C@@H](c3cc(O)nc(N4CCCC4)n3)C2)C1 864856487 PBAJBKOQRYQLIP-SHYRYGCCSA-N 355.442 2.038 30 50 FEEA N#Cc1cnc2c(Cl)cccc2c1NC1CCN(c2nc(=N)[nH][nH]2)CC1 1875334715 AOWQGLIVPAVXBG-UHFFFAOYSA-N 368.832 2.371 30 50 FEEA CC(=O)N[C@@]1(c2nc(C)cs2)CCN(Cc2cc(C#N)n(C)c2C)C1 886068787 RFLAUEPLEJZSEG-SFHVURJKSA-N 357.483 2.207 30 50 FEEA COc1ccc(CCC(=O)N2CCN(c3ccccc3C#N)C(=O)C2)cc1 82170571 PNVNQVFWFFLPPA-UHFFFAOYSA-N 363.417 2.375 30 50 FEEA COc1cccc(NC(=O)[C@@H](C#N)C(=O)c2cnc(C(F)(F)F)nc2)c1 123839206 IYFQGCRWGSUXMD-LBPRGKRZSA-N 364.283 2.465 30 50 FEEA O=C1[C@H]2CC[C@H](CN(Cc3cc(C#CCO)cs3)C2)N1CC1CCC1 91596110 OFZWPBABAOCFOE-ZWKOTPCHSA-N 358.507 2.315 30 50 FEEA COc1ccc2c3c1O[C@@H]1[C@]34CCN(C)[C@H](C2)[C@]42C=C[C@@]1(OC)[C@@H](C#N)C2 166894320 JWGQNJUNBCBJCO-GEAUKGQYSA-N 364.445 2.439 30 50 FEEA C#CCCC1(CCC(=O)Nc2ccc3c(c2)N(C(=O)CNC)CCC3)N=N1 2325900993 PPKIEVVATJFLFP-UHFFFAOYSA-N 367.453 2.479 30 50 FEEA C[C@H]1CN(/C(O)=N/[C@@H](c2cccs2)C2CC2)CCN1S(C)(=O)=O 329490081 SIQRPVXKROOPSE-SMDDNHRTSA-N 357.501 2.079 30 50 FEEA N#Cc1ccc(CNS(=O)(=O)c2cc(Br)ccn2)s1 2325874408 LNUQNUDEPYTWGJ-UHFFFAOYSA-N 358.242 2.256 30 50 FEEA N#Cc1ccc(S(=O)(=O)NC(=O)C[C@@H]2OCCc3ccccc32)cc1 115900662 PEVDQYJJPDFLFG-KRWDZBQOSA-N 356.403 2.067 30 50 FEEA CS[C@@H](C)C/N=C(/O)N(C)C[C@@H]1CCCN(C)[C@H]1c1cnn(C)c1 328631670 RGJIWZSLJUKOKX-OFQRWUPVSA-N 353.536 2.400 30 50 FEEA CN(CC(=O)N[C@@H]1CCOC[C@H]1Oc1ccc(C#N)cc1)C1CCCC1 219069786 NMPUJEFDXYABGS-RTBURBONSA-N 357.454 2.085 30 50 FEEA Cc1cc(C)c(C#N)c(N2CCC3(CCC(=O)N(C[C@@H](C)O)C3)CC2)n1 92019373 VJQZOZNVXMMFBV-MRXNPFEDSA-N 356.470 2.160 30 50 FEEA C[C@H]1CCc2c(sc(NC(=O)CN3CCN4CCC[C@@H]4C3)c2C#N)C1 23095830 BQXPOWKWSSMFGL-UONOGXRCSA-N 358.511 2.463 30 50 FEEA C=CC[N@@+]12[C@H]3C[C@@]45c6ccccc6N(C)[C@H]4[C@@H]1C[C@H]([C@@H]3[C@H]5O)[C@H](CC)[C@H]2O 252461273 LSVIWPNZJIGKRQ-ALHOSYKFSA-N 367.513 2.255 30 50 FEEA biogenic N#Cc1ccc(O[C@H]2CCOC[C@@H]2NC(=O)c2ncoc2C2CC2)cc1 1565514398 FEQGPNVITMHYQT-HOTGVXAUSA-N 353.378 2.390 30 50 FEEA C#Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)NCC3CC3)cc2)nc1 728986255 QBJTVSUQAJAVSA-UHFFFAOYSA-N 355.419 2.004 30 50 FEEA COc1cc(/C=N/n2c(S)nnc2-c2cccnc2)ccc1OC(C)=O 5830056 TXJDBFKYFLTKPV-DJKKODMXSA-N 369.406 2.445 30 50 FEEA CCOC(=O)C1=C(N)OC2=C(C(=O)CCC2)[C@@H]1c1ccc2c(c1)OCO2 727469 ABVOOYYLXWYFJY-HNNXBMFYSA-N 357.362 2.270 30 50 FEEA biogenic COc1ccc([C@@H]2CN(Cc3cc(C#N)n(C)c3C)C[C@H]2NC(C)=O)cc1 91694774 DJBQCCWGYQTFEV-LEWJYISDSA-N 366.465 2.318 30 50 FEEA C#CCNC(=O)C(=O)c1c(C)c(C(=O)Nc2ccc(F)c(F)c2)n(C)c1C 1775953425 SQOFSIXYJGPNKV-UHFFFAOYSA-N 373.359 2.105 30 50 FEEA C=CCN1C[C@H](C(=O)Nc2ccc(OC3CCN(C)CC3)cc2)CC1=O 952961154 QAWNHJLLBKIHRZ-OAHLLOKOSA-N 357.454 2.133 30 50 FEEA COc1cccc([C@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2CCN(C)C)c1 13570637 BVOBHVMGPNNOLW-KRWDZBQOSA-N 370.405 2.428 30 50 FEEA Cn1ccc(/C(O)=N/C[C@@H]2CCc3nc(C(F)(F)F)cn3C2)cc1=O 328620631 HEGBHZFWMZGGGE-JTQLQIEISA-N 354.332 2.168 30 50 FEEA C=CCN1C[C@@H](C(=O)NCc2c[nH]nc2-c2ccc(Cl)cc2)CC1=O 820474794 GFJPAFPTKHAAIQ-ZDUSSCGKSA-N 358.829 2.381 30 50 FEEA C#CCCC1(CCC(=O)NC[C@@H]2CCN(c3ccccc3)S2(=O)=O)N=N1 1875381604 ARFRQUNFLYDHIZ-INIZCTEOSA-N 374.466 2.067 30 50 FEEA N#Cc1cnc(N[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3F)CCC2(F)F)c(F)c1 1875407460 AHYGIZBIBWPQQZ-NQBHXWOUSA-N 356.323 2.489 30 50 FEEA N#Cc1c[nH]c(C(=O)N2CC[C@@H](Oc3cccnc3N3CCCC3)C2)c1 275584254 JSYLUJLTYUGDHV-OAHLLOKOSA-N 351.410 2.175 30 50 FEEA Cn1c(CN2CCCCC2)nnc1[C@@H]1CCCN(c2cccc(C#N)n2)C1 72408734 ZRIYAJNDGOMOIZ-MRXNPFEDSA-N 365.485 2.452 30 50 FEEA Cc1cncc(N=C(O)N2CCO[C@@H](c3ccnc(N4CCCC4)n3)C2)c1 328626752 MAVDRSKAZHWNRK-QGZVFWFLSA-N 368.441 2.399 30 50 FEEA OC(=Nc1cccnc1)N1CCO[C@@H](c2ccnc(N3CCCC3)n2)C1 328632158 RQZADPRFMVGPBI-MRXNPFEDSA-N 354.414 2.091 30 50 FEEA COCCN1CCC[C@@H](C(=O)N2CCC(C#N)(c3ccccc3)CC2)C1 97772980 ZIGKJRQOUIPOMI-GOSISDBHSA-N 355.482 2.429 30 50 FEEA CON(C)CCNC(=O)C1(C)CCN(c2ccc(Cl)cc2C#N)CC1 880647310 QNZJDCNBSRHWET-UHFFFAOYSA-N 364.877 2.428 30 50 FEEA C#CCCCCNC(=O)N[C@@H](c1ccc2c(c1)OCCO2)c1noc(C)n1 372163961 RZJFBDKKZZMAMU-KRWDZBQOSA-N 370.409 2.341 30 50 FEEA CCOC(=O)/C=N\OC[C@@H](CC(=O)OC(C)(C)C)c1csc(N)n1 87492709 NPMRGRDGJFBTEQ-FBVSVWLOSA-N 357.432 2.106 30 50 FEEA N#Cc1cccc(C(=O)N2C[C@@H]3CC[C@H](C2)N(Cc2cscn2)C3=O)c1 95530002 DVOJZZLLRDZSFN-DOTOQJQBSA-N 366.446 2.278 30 50 FEEA CC1=NO[C@H](C(=O)N[C@@]23CCC[C@@H]2N(c2snc(C)c2C#N)CC3)C1 1875407565 CTULZSMCQFUIAY-GRDNDAEWSA-N 359.455 2.106 30 50 FEEA CC/N=C1/S[C@H](CC(=O)Nc2ccc(OC(C)=O)cc2)C(=O)N1CC 16809805 PKJKKQSDUCNDNO-IAFNSTAXSA-N 363.439 2.280 30 50 FEEA CC(C)(O)C#Cc1cccc(C(=O)NC2(CN3CCOCC3)CCCC2)c1 65398329 FRPUNDWRUIJANP-UHFFFAOYSA-N 370.493 2.184 30 50 FEEA Cc1noc(CN/C(O)=N/C[C@@H]2C[C@H](F)CN2Cc2cccs2)n1 328638175 OZZJMWGEVLRBIG-RYUDHWBXSA-N 353.423 2.056 30 50 FEEA N#Cc1c(F)cccc1-n1ccc(NC(=O)NCc2nnc(C3CC3)o2)n1 480303424 WOTKHFGJCBUMBM-UHFFFAOYSA-N 367.344 2.465 30 50 FEEA Cc1ccc(S(=O)(=O)O[C@@H]2[C@@H]3[C@@H](C#N)[C@H]4[C@H]5C[C@@H]6O[C@@H]([C@H]53)[C@H]2[C@H]64)cc1 257359050 YBIUGCWLAQFQCH-JFBKLWITSA-N 357.431 2.118 30 50 FEEA COCCN1CCC(C(=O)N2CCC(C#N)(c3ccccc3)CC2)CC1 299777797 HUVAJDHTURVDAF-UHFFFAOYSA-N 355.482 2.429 30 50 FEEA N#C[C@@H]1COCCN1C(=O)c1ccc(-c2noc(C(F)(F)F)n2)cc1 170651657 BLKFYFZSUHNEAY-LLVKDONJSA-N 352.272 2.120 30 50 FEEA C[C@H](O)C1CCN(C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3F)C2)CC1 159531932 IECTYJDPQFIWQJ-YOEHRIQHSA-N 374.460 2.469 30 50 FEEA Cc1ccc(S(=O)(=O)N2CCN(c3cc(C)c(C#N)c(C)n3)CC2)cc1 2356137557 PPNYZPWXNBUPLY-UHFFFAOYSA-N 370.478 2.389 30 50 FEEA COC(=O)c1cc(C#N)c(N2CCC[C@@]3(CCc4c[nH]nc43)C2)nc1C 2356143724 ULGHNEHIRABZFB-LJQANCHMSA-N 351.410 2.256 30 50 FEEA O/C(=N/[C@@H]1CCCC12CCOCC2)N1CCC[C@@H](CN2CCOCC2)C1 328764438 DSTAFISKFFESOU-ZWKOTPCHSA-N 365.518 2.294 30 50 FEEA N#CC1(c2ccccc2)CCN(C(=O)NC[C@@H]2CC(=O)N(C3CC3)C2)CC1 426515482 FSPWCPSXDQWXNJ-INIZCTEOSA-N 366.465 2.264 30 50 FEEA CCc1nnc(NCc2cc(O[C@@H]3CCNC3)ccn2)c(C#N)c1CC 818629566 YIRPPEVKFPOZNL-OAHLLOKOSA-N 352.442 2.221 30 50 FEEA C=CCn1c(=O)c(C(=O)NCC(C)C)c(O)c2cc(OC)c(OC)cc21 170624599 ATZOLDGVRUGXAZ-UHFFFAOYSA-N 360.410 2.296 30 50 FEEA O=C1N=C(O)CN1C/C(O)=N/C[C@H](NCc1ccccc1)C(F)(F)F 328592375 JXWGVFFBYUWTIF-NSHDSACASA-N 358.320 2.056 30 50 FEEA N#Cc1ccccc1CN1CCN(c2nc(CO)nc3ccccc23)CC1 95378593 ZPMBXXNZWXUPSD-UHFFFAOYSA-N 359.433 2.316 30 50 FEEA 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(Br)o1 253390215 KWYWMVFAEKHVOI-ORRHOFGNSA-N 361.195 2.429 30 50 FEEA CSCCN1CCC(NC(=O)c2cccc(C#CC(C)(C)O)c2)CC1 1506420566 IZFANLCMDGZNDY-UHFFFAOYSA-N 360.523 2.366 30 50 FEEA C[C@@H]1O[C@H](C)Cc2c(C(=O)N3CCN(c4ccc(C#N)cc4)CC3)n[nH]c21 1857528453 CZKKDIUOMAPNRQ-KGLIPLIRSA-N 365.437 2.266 30 50 FEEA C[C@@H]1C[C@H](/N=C(/O)c2c[nH]nc2[C@H]2CCOC2)C(=O)N1c1ccccc1 330319644 DIYWCYLONFNGNJ-WWGRRREGSA-N 354.410 2.412 30 50 FEEA CCCO[C@@H]1C[C@@H](C(=O)N2CCOCC2)CC[C@H]1Nc1cccc(C#N)n1 2356164508 VUCWYKUALJTDTD-CGTJXYLNSA-N 372.469 2.188 30 50 FEEA COc1cccc(CC(=O)N[C@@H]2COCC[C@H]2Oc2ccc(C#N)cc2)c1 220238355 PXFWBHXDIMRVTG-WOJBJXKFSA-N 366.417 2.462 30 50 FEEA C[C@@H](Sc1ccccn1)C(=O)N1CCN(c2ccccc2C#N)C(=O)C1 82161564 YIBZUBUQLHEZQA-CQSZACIVSA-N 366.446 2.309 30 50 FEEA Cc1csc([C@H](C#N)/C(=N/CCN2CCOCC2)NCc2ccco2)n1 225502900 MYVJKIGVXQAJPX-MRXNPFEDSA-N 373.482 2.172 30 50 FEEA CN1CCN(C(=O)c2ccc(F)c(C#N)c2)C[C@H]1c1nc(C2CC2)no1 284821067 BYIMSIRAZMIPGP-HNNXBMFYSA-N 355.373 2.087 30 50 FEEA CCc1cnc(CN(C(C)=O)[C@H]2CCN(Cc3cc(C#N)n(C)c3)C2)o1 372814164 YKXLPYGUGHSVAV-INIZCTEOSA-N 355.442 2.070 30 50 FEEA CC(C)c1ccc(C#N)c(N2CC[C@H](N3CCOCC3)[C@H](CCCO)C2)n1 91665547 IAFQOHPOXRUQCN-QUCCMNQESA-N 372.513 2.376 30 50 FEEA N#Cc1cc2c(nc1SCC(=O)Nc1nncs1)C1CCN2CC1 4623380 RAHQRIRKKDWVSN-UHFFFAOYSA-N 358.452 2.233 30 50 FEEA CNC(=O)c1ccc([C@@H]2CCCCN2C/C(O)=N/Cc2cccnc2)n1C 328631519 KNOMGIFDCBOGNV-KRWDZBQOSA-N 369.469 2.463 30 50 FEEA N#Cc1ccc(F)c(CS(=O)(=O)N2CC(O)=N[C@H]3CCCC[C@H]32)c1 329123750 LNLVOJJSKKPDRS-LSDHHAIUSA-N 351.403 2.110 30 50 FEEA N#Cc1cccc(NC(=O)C2CCN(c3ncnc(N)c3Cl)CC2)c1 277590200 UDVWEXHJEIFLGK-UHFFFAOYSA-N 356.817 2.439 30 50 FEEA CN(C[C@@H]1C[C@H](F)CN1Cc1cccs1)/C(O)=N/CCn1cccn1 328628619 HKDDYDMLKNMQAW-GJZGRUSLSA-N 365.478 2.403 30 50 FEEA CN1CCc2ccc(N=C(O)C[C@H]3CCCS(=O)(=O)C3)cc2C1=O 328906399 BLUIXSTXZLBIML-GFCCVEGCSA-N 350.440 2.118 30 50 FEEA CN(C)Cc1nnc(C2CCN(c3cccc(C#N)n3)CC2)n1C1CC1 82091142 KYYPJKGHGOYSRF-UHFFFAOYSA-N 351.458 2.325 30 50 FEEA CCOCCNC(=O)[C@]1(CC)C[C@@H]2CC[C@H]1N2Cc1cc(C#N)n(C)c1C 1857722504 KBFAMXMISNOVMV-FBBABVLZSA-N 372.513 2.491 30 50 FEEA CN(CCC#N)C[C@@H](O)CSc1nc(-c2ccc3c(c2)CCC3)n[nH]1 414121693 ASXIKGSINLWYBL-MRXNPFEDSA-N 357.483 2.259 30 50 FEEA CC(=O)N[C@@H]1CC[C@H](C(F)(F)F)N(C(=O)c2ccc(F)c(C#N)c2)C1 330555311 DZYKADUKWZSPGI-TZMCWYRMSA-N 357.307 2.369 30 50 FEEA C[C@](O)(CN1Cc2ccccc2C1=O)C(=O)OCc1cc(C#N)ccc1F 225664011 LTRHZUBKVBNYBW-FQEVSTJZSA-N 368.364 2.148 30 50 FEEA N#Cc1ccc(S(=O)(=O)N2CCC(NCC3CC3)CC2)cc1Cl 237851823 BBVXXZQDZDTVSB-UHFFFAOYSA-N 353.875 2.364 30 50 FEEA N#CC1(c2ccccc2)CCN(C(=O)NCCCN2CCC[C@H](O)C2)CC1 426690254 HQUMQLNUPJYYNL-IBGZPJMESA-N 370.497 2.100 30 50 FEEA N#Cc1ccc(N2CCC(C(=O)N3C[C@@H]4[C@H]5C=C[C@@H](O5)[C@H]4C3)CC2)c(F)c1 333845368 OERGVXNYUGRYMY-XAMWDVODSA-N 367.424 2.326 30 50 FEEA N#Cc1cccc(S(=O)(=O)NC(=O)C[C@@H]2OCCc3ccsc32)c1 170621159 HVFPKANQTAGBDM-AWEZNQCLSA-N 362.432 2.129 30 50 FEEA Cc1cccc(S(=O)(=O)N2CCC(C(=O)N(C)C(C)C)CC2)c1C#N 131180339 YZXBBYVWPODNST-UHFFFAOYSA-N 363.483 2.134 30 50 FEEA COC(=O)c1n[nH]c2c1CN(C(=O)C[C@H](CC#N)c1ccccc1)CC2 456381896 XEWCFYCDFGMTHI-AWEZNQCLSA-N 352.394 2.169 30 50 FEEA N#CC[C@H](NC(=O)c1cc(Br)cn2ncnc12)C(F)(F)F 830205766 ZVNSKONTFMRGJU-QMMMGPOBSA-N 362.109 2.066 30 50 FEEA Cn1cc(OC2CN(c3cc(Br)cc(F)c3C#N)C2)cn1 2325802632 QXUKGGCCARXMOA-UHFFFAOYSA-N 351.179 2.461 30 50 FEEA Cc1ccc(S(=O)(=O)OCCCN2C(=O)c3ccccc3C2=O)cc1 3188275 HXCZYABFGDIBGE-UHFFFAOYSA-N 359.403 2.387 30 50 FEEA C=CC[C@]1(CO)C[C@H](O)[C@@H]2[C@H](CC=C3CC4(CC[C@]32C)OCCO4)[C@@H]1O 100817920 UATRNPBZSKTJEY-GFLQDLJJSA-N 364.482 2.163 30 50 FEEA N#CC1(c2ccccc2)CCN(c2nccc(N3CCC[C@@H](O)C3)n2)CC1 65525866 VREKGUNKSHXCMC-GOSISDBHSA-N 363.465 2.499 30 50 FEEA N#Cc1cc2c(=O)n(Cc3cc4ccc(F)cc4[nH]c3=O)ccc2nc1O 67641987 CYRVETHYOCSLQK-UHFFFAOYSA-N 362.320 2.003 30 50 FEEA Cn1nccc1[C@@H]1OCC[C@H]1CN1CCO[C@H](c2cccc(C#N)c2)C1 328993408 TUFQIWWAERMXFZ-YSIASYRMSA-N 352.438 2.443 30 50 FEEA Cc1nc(N=C(O)N2CCO[C@H](c3ccnc(N4CCCC4)n3)C2)oc1C 328619300 FRJUYORGYZPTNS-HNNXBMFYSA-N 372.429 2.301 30 50 FEEA O=C1CC[C@H]([C@H]2CCC/C2=N\Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])[C@@H]1O 216225250 WNGQDXDLPCVOHD-RPOSZGILSA-N 362.342 2.411 30 50 FEEA C[C@@H]1C[C@@H]2[C@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@H]3C(=O)C[C@@]2(C)[C@]1(O)C(=O)CO 253617862 PIDANAQULIKBQS-SHNHDPNUSA-N 372.461 2.012 30 50 FEEA CCCCN1C(=O)c2ccc(C(=O)NCC#Cc3cccnc3)cc2C1=O 1875262609 HKTMDZIJXOCZGK-UHFFFAOYSA-N 361.401 2.259 30 50 FEEA CC(=O)C1=C(O)C(=O)N(Cc2cccnc2)[C@@H]1c1ccccc1[N+](=O)[O-] 870990 FKNFEEUMRHTSQF-MRXNPFEDSA-N 353.334 2.474 30 50 FEEA CCOC(=O)C(C(=O)OCC)C1=C(Cl)C(=O)c2ccccc2C1=O 2163430 NVIOHKNIBIOJJW-UHFFFAOYSA-N 350.754 2.301 30 50 FEEA CC(C)(O)C#Cc1ccc(C(=O)N[C@@H](Cc2ccccc2)C(=O)O)s1 4697995 WRHUQOPMNUITFJ-HNNXBMFYSA-N 357.431 2.296 30 50 FEEA C#CCCC1(CCC(=O)Nc2nc(COC)c(C(=O)OC)s2)N=N1 2325894922 YFGBRQRLDGQSDP-UHFFFAOYSA-N 350.400 2.370 30 50 FEEA Cn1c(SCC(=O)Nc2ccccc2C#N)nnc1-c1ccncc1 3578109 HWWYDAGJWXMPTJ-UHFFFAOYSA-N 350.407 2.480 30 50 FEEA N#Cc1cc(F)ccc1S(=O)(=O)N1C[C@H](CO)[C@H](c2ccsc2)C1 188876989 UXLZVIHJSIJAHI-HIFRSBDPSA-N 366.439 2.155 30 50 FEEA CN(Cc1nccs1)[C@@H]1CC12CCN(C(=O)c1cc(C#N)cn1C)CC2 328627417 GBVPZIBCBBTFJN-MRXNPFEDSA-N 369.494 2.480 30 50 FEEA COc1ccc(S(=O)(=O)/N=C2/C=CC(=O)C(Br)=C2)cc1 100323828 MYZJVSICKXOQEK-DHDCSXOGSA-N 356.197 2.243 30 50 FEEA CN(C[C@@H]1CCc2nc(C(F)(F)F)cn2C1)/C(O)=N/Cc1ccnn1C 328618133 DJWYXUDPKJNOAP-NSHDSACASA-N 370.379 2.244 30 50 FEEA COc1cc(/C(N)=N/OCC(=O)NCCc2c(C)cc(C)cc2C)ccn1 151640463 VDUCTUXPXLPCRR-UHFFFAOYSA-N 370.453 2.011 30 50 FEEA CCOc1cc2c(cc1OC)[C@@H](NC(=O)C(F)(F)F)/C(=C/N(C)C)C2=O 5644922 LCZNRHJSPDWWLG-KOTGUFOOSA-N 372.343 2.455 30 50 FEEA Cn1c(CN2CCCCC2)nnc1[C@@H]1CCCN(c2ccc(C#N)cn2)C1 72431570 JZTNOHACZMVLBT-QGZVFWFLSA-N 365.485 2.452 30 50 FEEA CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)ON1C(=O)c2ccccc2C1=O 1772783358 MHUZLKBWHOQGIW-ZDUSSCGKSA-N 360.366 2.140 30 50 FEEA N#Cc1ccc(S(=O)(=O)N[C@H]2CCOC[C@@H]2OCc2ccccc2)cc1 1565526189 HOQABETWRADAKT-OALUTQOASA-N 372.446 2.211 30 50 FEEA C#C[C@H]1CCCN(C(=O)C(=O)NCc2cc(-c3cccc(Cl)c3)on2)C1 2325783830 FSMODECJUCDXSM-ZDUSSCGKSA-N 371.824 2.483 30 50 FEEA C#CCCC1(CCC(=O)N2CCN(c3cccc4nc(O)[nH]c34)CC2)N=N1 2325886350 QCDHLHFWDHCMIZ-UHFFFAOYSA-N 366.425 2.273 30 50 FEEA CCOC(=O)C1=C(N)OC2=C(C(=O)CCC2)[C@H]1c1ccccc1[N+](=O)[O-] 3191385 RZADAENORUBOQW-CQSZACIVSA-N 358.350 2.449 30 50 FEEA C=C(C)COc1ccc(C(=O)NCc2ccc(S(N)(=O)=O)cc2)cc1 55072640 MGMOKVJFAQLRTI-UHFFFAOYSA-N 360.435 2.219 30 50 FEEA Cc1cccc(N/C(O)=N/C[C@@H]2C[C@H](F)CN2c2ccnc(N(C)C)n2)n1 328638947 PGKANTUMOBHPRJ-KBPBESRZSA-N 373.436 2.189 30 50 FEEA COc1cccc(C)c1C(=O)N1CCCN(c2nccnc2C#N)CC1 1772805828 QJXATRGECLWQBE-UHFFFAOYSA-N 351.410 2.018 30 50 FEEA C=CCN(CC(=O)Nc1nc(C(C)(C)C)cs1)[C@H]1CCS(=O)(=O)C1 65466411 QEOSRKHFEYQKSH-LBPRGKRZSA-N 371.528 2.054 30 50 FEEA C=CCN(C(=O)c1cc2ccc(OC)cc2n1C)[C@@H]1CCS(=O)(=O)C1 65417440 DGMBPTKRIWUOAM-CQSZACIVSA-N 362.451 2.002 30 50 FEEA Cc1nc(N=C(O)N2CCO[C@@H](c3ccnc(N4CCCC4)n3)C2)oc1C 328619301 FRJUYORGYZPTNS-OAHLLOKOSA-N 372.429 2.301 30 50 FEEA COc1ccc2[nH]nc(CN3CCN(c4ccc(C#N)cc4)C(=O)C3)c2c1 82160771 UCAJHDCSVYPHBG-UHFFFAOYSA-N 361.405 2.292 30 50 FEEA C=C(Cl)CCC(=O)N[C@H]1C[C@@H](NC(=O)Cc2cc(C3CC3)on2)C1 2325866886 CYCPSSMRIYGTLV-BETUJISGSA-N 351.834 2.391 30 50 FEEA C#CCN1C(=O)[C@](O)(CC(=O)c2ccccc2[N+](=O)[O-])c2ccccc21 1157109 BCDBOWUKLNVIBY-IBGZPJMESA-N 350.330 2.035 30 50 FEEA O=c1[nH]c2ccccc2cc1/C=N/NS(=O)(=O)c1ccc(Cl)cc1 2519998 XEFOHFIQPJHJJB-VCHYOVAHSA-N 361.810 2.494 30 50 FEEA C=CCNC(=O)c1cn(Cc2ccccc2)cc(C(=O)NCCCC)c1=O 12338021 PYDZVFMNTQKZBG-UHFFFAOYSA-N 367.449 2.342 30 50 FEEA Cc1sc(NC(=O)Cn2ncc(N3CCCCC3)cc2=O)c(C#N)c1C 20601280 CMQBEEGXCHZNJO-UHFFFAOYSA-N 371.466 2.422 30 50 FEEA Cc1ccc(C#N)c(N2CCC(c3nnc(Cn4cccn4)n3C)CC2)n1 91288663 KVVDIYIOKNSLOM-UHFFFAOYSA-N 362.441 2.019 30 50 FEEA CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)ON1C(=O)c2ccccc2C1=O 1772785055 ZLDJXGXCOAXJON-CYBMUJFWSA-N 362.382 2.434 30 50 FEEA N#C[C@]1(C(N)=O)CCN(Cc2cnn(-c3ccc(C(F)(F)F)cc3)c2)C1 1875286691 BADHSUHNRZFTNI-MRXNPFEDSA-N 363.343 2.092 30 50 FEEA N#Cc1cncc(N2CCC[C@]3(CCCC[C@@H]3NC(=O)[C@@H]3C[C@H]3F)C2)n1 1875408510 YFIUIIQWNBHXKO-OAFZBRQQSA-N 357.433 2.352 30 50 FEEA CC(C)(O)C#Cc1ccc(C(=O)NCC[C@@H]2COc3ccccc3O2)o1 65371710 FBPFAVRETLTLBB-OAHLLOKOSA-N 355.390 2.362 30 50 FEEA CCOC(=O)C1=C(N)OC2=C(C(=O)CC(C)(C)C2)[C@H]1c1cnn(C)c1C 2759251 IFWATFDULXGCJW-CQSZACIVSA-N 359.426 2.219 30 50 FEEA CC/N=C(/O)N1CCC(N(CC(=O)O)Cc2ccc(F)c(F)c2)CC1 328606355 RENPBDVPRRNISY-UHFFFAOYSA-N 355.385 2.250 30 50 FEEA O=C1[C@H](N/C(O)=N/[C@@H]2CCc3c[nH]nc3C2)CCCN1c1ccccc1F 328865955 BVNCDFQIGUXQRA-UKRRQHHQSA-N 371.416 2.105 30 50 FEEA CS(=O)(=O)NC[C@@H]1CCC[C@H]1/N=C(/O)c1ncccc1C(F)(F)F 330418793 YFNDQBUZJYUEMG-GXSJLCMTSA-N 365.377 2.123 30 50 FEEA C=CCn1c(COc2ccc(C)cc2OCC)nnc1SCC(N)=O 8784580 BQGIQRDJYUETOL-UHFFFAOYSA-N 362.455 2.328 30 50 FEEA CCCS(=O)(=O)N1CCCC[C@H]1C(O)=Nc1nnc(C)n1C1CC1 329076774 PWLUPMRNTHWFBY-ZDUSSCGKSA-N 355.464 2.104 30 50 FEEA O=C([C@@H]1CC[C@H](/N=C(/O)[C@@H]2COCCN2CC(F)F)C1)N1CCCCC1 329353733 VCECBHSVJYTYCI-ILXRZTDVSA-N 373.444 2.090 30 50 FEEA N#Cc1nc(N2CC3(CCN(C(=O)c4ccncc4)C3)C2)sc1Cl 1875338906 PVPXPBZRGXNTMG-UHFFFAOYSA-N 359.842 2.416 30 50 FEEA COc1ccc(O[C@H](C)C(=O)O/N=C(\N)c2cccc([N+](=O)[O-])c2)cc1 5014114 CEQBMBQAQMGWFJ-LLVKDONJSA-N 359.338 2.234 30 50 FEEA C[C@@H]1CCCN(c2nc(=O)c3c([nH]2)NC(=O)[C@@H](C#N)[C@H]3c2ccccc2)C1 200080538 CIJLSRBESACKHW-VHDGCEQUSA-N 363.421 2.230 30 50 FEEA CCO[C@@H]1C[C@H](/N=C(/O)N2CC[C@H](n3cc(Cl)cn3)C2)[C@@]12CCCO2 329539484 CKRDDOCZIWMLKV-MPTYRVRUSA-N 368.865 2.424 30 50 FEEA CN(CC/N=C(/O)N(C)C)C(=O)C1(c2ccccc2Cl)CCOCC1 330626414 VMKXUEZPWXPPOC-UHFFFAOYSA-N 367.877 2.322 30 50 FEEA COc1ccc(N2CCN(Cc3c(O)nc(O)c(C#N)c3C)CC2)cc1 8730212 QLAZGSZNTGGSFZ-UHFFFAOYSA-N 354.410 2.004 30 50 FEEA CC(C)n1cc([C@@]2(O)CCCN(CCOc3cccc(C#N)c3)C2)nn1 284490209 CKMREFWBJUBMAY-LJQANCHMSA-N 355.442 2.093 30 50 FEEA CC(C)(O)C#Cc1cccc(C(=O)N[C@@H]2COC[C@H]2Cc2ccncc2)c1 1704347209 JQHQGKBYKWIIBP-WOJBJXKFSA-N 364.445 2.192 30 50 FEEA Cc1cc(=O)n2c3ccccc3n(C[C@H](O)CN3CCCCC3)c2c1C#N 2708648 GTCQGPQDRGTCKI-MRXNPFEDSA-N 364.449 2.281 30 50 FEEA N#Cc1cccc(C(=O)N2CCO[C@@H](c3ccnc(N4CCCC4)n3)C2)c1 328628703 NYLHMGNEPREYQT-GOSISDBHSA-N 363.421 2.162 30 50 FEEA C[C@@H]1CCCc2nc(S(=O)(=O)Nc3nn(C(C)(C)C)cc3C#N)cn21 333088915 ANPDIYBPTKBZBJ-LLVKDONJSA-N 362.459 2.404 30 50 FEEA COCCN1CC2(CCC1=O)CCN(C(=O)c1ccc(C#N)cc1)CC2 92037460 XRLCTIRRGFOBAZ-UHFFFAOYSA-N 355.438 2.049 30 50 FEEA COc1cc(C(=O)O/N=C2/C(=O)N(C)c3ccccc32)cc(OC)c1OC 5074110 CGMACCXNLSGZSS-CAPFRKAQSA-N 370.361 2.250 30 50 FEEA Cc1cc(N2CCC[C@@H](NC(=O)c3ncc(C#N)cc3Cl)C2)n(C)n1 333549184 POKDTXREGCPUCK-CYBMUJFWSA-N 358.833 2.047 30 50 FEEA NC(=O)C1(N2CCCCC2)CCN(/C(S)=N/CCc2ccccc2)CC1 4574624 FPLQQSIFDQPWSM-UHFFFAOYSA-N 374.554 2.321 30 50 FEEA N#Cc1ccc(OC[C@@H](O)CN2CCC(=O)Nc3cc(F)ccc32)cc1 175084912 LAVAHFUGKLTUPH-HNNXBMFYSA-N 355.369 2.286 30 50 FEEA COc1cc(Br)c2c3c1O[C@H]1CC(=O)C=C(CN(C=O)C2)[C@@H]31 214473613 PJVUSCPECBNUTJ-GXTWGEPZSA-N 364.195 2.174 30 50 FEEA C#CCCC1(CCC(=O)N2CCC3(CC2)CO[C@@H](CC(=O)OC)C3)N=N1 2325895329 YBYANKAVBIQOTF-HNNXBMFYSA-N 361.442 2.303 30 50 FEEA C#CCOC(=O)CCC(=O)Nc1ccc(I)cc1 3105969 IUVVAKMYNIWIRE-UHFFFAOYSA-N 357.147 2.186 30 50 FEEA C#CCN1CCCC[C@H]1C(=O)NC[C@H]1CCN(c2ccc(F)c(F)c2)C1 230085678 QDQJSSPCZBFLIG-BEFAXECRSA-N 361.436 2.395 30 50 FEEA CCn1c(CN(C)C)nnc1C1CCN(C(=O)c2ccc(C#N)cc2)CC1 77427223 PVGCPOUTZGKPKC-UHFFFAOYSA-N 366.469 2.251 30 50 FEEA CC[C@@]1(CNS(=O)(=O)c2cncc(C#N)c2)OCCc2ccccc21 290165061 OZAMVIPCHZVGHP-SFHVURJKSA-N 357.435 2.110 30 50 FEEA CC(=O)NCc1cc(O[C@@H]2CCN(c3cccc(F)c3C#N)C2)ccn1 886041091 NIMKTKWYCUKFGR-MRXNPFEDSA-N 354.385 2.386 30 50 FEEA CCC[C@@H](C#N)N(C)S(=O)(=O)c1ccc(C2(C(=O)OC)CC2)cc1 225394887 LXVHGEVAKNOPIG-AWEZNQCLSA-N 350.440 2.204 30 50 FEEA N#Cc1ncc(Cl)c(N2CCN(c3cc(C(F)(F)F)ncn3)CC2)n1 2325807196 HGIYWNOHSRHACF-UHFFFAOYSA-N 369.738 2.137 30 50 FEEA COc1ccc([C@H]2CCN(S(=O)(=O)c3cnc(C)c(C#N)c3)C2)cc1 331163029 ROFHCPRFFZPMBW-HNNXBMFYSA-N 357.435 2.449 30 50 FEEA N#Cc1ccnc(N2CCCO[C@H](CNC(=O)c3cccc(F)c3)C2)c1 888103714 UYWBKZUWBHUZQD-QGZVFWFLSA-N 354.385 2.118 30 50 FEEA C=CCOc1ccc(CN2CCC3(CC2)C(=O)NCCN3C)cc1CC=C 67458042 DITSFDLHZLXKSI-UHFFFAOYSA-N 369.509 2.376 30 50 FEEA CC(C)Oc1ccccc1C(=O)N1CCN(c2nccnc2C#N)C[C@@H]1C 155623313 LVFMAFXTNBPTIN-HNNXBMFYSA-N 365.437 2.486 30 50 FEEA Cc1cc(C)cc(C(=O)N2CCC[C@@H](C(=O)N=c3cc[nH]cc3C#N)C2)c1 331821403 QCKQALLQDUBKFI-MRXNPFEDSA-N 362.433 2.483 30 50 FEEA Cc1nc(N[C@H]2C[C@H](c3nnc(CN(C)C)n3C)C2)c(C#N)c(C)c1C 244874407 XAVBQKUSNWOJPT-SHTZXODSSA-N 353.474 2.427 30 50 FEEA N#Cc1ccc(NC[C@@H](C(=O)N2CCC=C(F)C2)C2CCOCC2)nc1 952849052 FIQXMLSERPHDLN-QGZVFWFLSA-N 358.417 2.494 30 50 FEEA CC(C)c1nccc(C(=O)NC2CCN(c3ncccc3C#N)CC2)n1 71749030 FUVZWQAZLLWHER-UHFFFAOYSA-N 350.426 2.265 30 50 FEEA N#Cc1cccc(C(=O)N2CCO[C@H](c3ccnc(N4CCCC4)n3)C2)c1 328628704 NYLHMGNEPREYQT-SFHVURJKSA-N 363.421 2.162 30 50 FEEA C#CCOc1ccc(Cl)cc1/C=N/n1c(N)nc(C(F)(F)F)cc1=O 6261675 FAZRIWOZPJZWEH-ODCIPOBUSA-N 370.718 2.392 30 50 FEEA Cc1cc(S(=O)(=O)N2CCN([C@H]3CC[C@H](C#N)C3)CC2)c(C)s1 241132899 JMZDWWRQXKGWNA-GJZGRUSLSA-N 353.513 2.364 30 50 FEEA C[C@@H](OC1CCCCCC1)C(=O)NS(=O)(=O)c1ccc(C#N)cc1 161098280 YKLNXYMOWIWENE-CYBMUJFWSA-N 350.440 2.491 30 50 FEEA Cc1cc(C)n(CCC(=O)N2CC[C@H]3[C@@H]2CCN3c2cc(C#N)ccn2)n1 2356167287 MFFYFGPMGAFGPB-ROUUACIJSA-N 364.453 2.037 30 50 FEEA C#CCOc1ccc([C@@H]2NC(=O)NC(C)=C2C(=O)OCC)cc1OCC 4808965 FUAPVYKOQIAAJG-KRWDZBQOSA-N 358.394 2.288 30 50 FEEA COc1cccc(CN2CCN(CC(=O)Nc3sccc3C#N)CC2)c1 20274258 ZOVOYYUXHKOBNJ-UHFFFAOYSA-N 370.478 2.385 30 50 FEEA Cc1cccc(CN2CCN(C(=O)c3cc(C#N)c(O)nc3C)CC2)c1 72427909 BILNWKAKQVBHHF-UHFFFAOYSA-N 350.422 2.234 30 50 FEEA OC[C@@H]1CN(/C(O)=N/C[C@@H]2CCCCN2C2CC2)CC[C@@H]1C(F)(F)F 329514421 CUVTYXAMKCANPN-QEJZJMRPSA-N 363.424 2.410 30 50 FEEA C=CCn1c(-c2ccc(OC)cc2)cn2cc(C(=O)NCC)nc2c1=O 72479278 CUJZAZPLFVMSIY-UHFFFAOYSA-N 352.394 2.107 30 50 FEEA CCSC(=S)S[C@@](C)(C#N)CCC(=O)ON1C(=O)CCC1=O 146227150 YNKNGAHVZJLFGL-CYBMUJFWSA-N 360.482 2.427 30 50 FEEA C[C@H]1C[C@@H]1C(=O)N[C@H]1C[C@H](Nc2ncc(C#N)cc2F)C12CCOCC2 1875407931 KIABDTKWXILIFP-MZGVZZPPSA-N 358.417 2.214 30 50 FEEA Cc1cc(C)c(C#N)c(N2CCCN(C(=O)c3cncc(F)c3)CC2)n1 1772809595 AVYCUKQFOPCZIL-UHFFFAOYSA-N 353.401 2.457 30 50 FEEA CCOc1cccc([C@@H]2CC(=O)NC3=C2C(=O)[C@@H](C(=O)OC)[C@H](C)C3)c1 6819972 DQUZRLXHEYWQCK-WHCBVINPSA-N 357.406 2.341 30 50 FEEA Cc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2ccccn2)o1 20227719 YFURUXRFHOOGMC-MRXNPFEDSA-N 355.394 2.123 30 50 FEEA CC1=NO[C@H](C(=O)N[C@]23CCC[C@@H]2N(c2snc(C)c2C#N)CC3)C1 1875407568 CTULZSMCQFUIAY-ZQIUZPCESA-N 359.455 2.106 30 50 FEEA N#Cc1ccc(CN2CC[C@@H](NC(=O)c3cccc(F)c3F)C2=O)cc1 192120355 ZGZDFDFGSOWPDO-MRXNPFEDSA-N 355.344 2.367 30 50 FEEA C[C@@]1(O)CCCN(c2cc(C#N)c([N+](=O)[O-])c(N3CCC[C@@](C)(O)C3)c2)C1 270868022 AYJCVVNDRGPCIP-RTBURBONSA-N 374.441 2.169 30 50 FEEA C#CCCC1(CCC(=O)N[C@H](c2nc(-c3nc[nH]n3)no2)C(C)(C)C)N=N1 2325886083 KNRFNCCBCZRQEB-GFCCVEGCSA-N 370.417 2.414 30 50 FEEA N#Cc1cnc(N[C@@H]2CCN(C(=O)[C@H]3C[C@@H]3F)CCC2(F)F)c(F)c1 1875407459 AHYGIZBIBWPQQZ-GMXVVIOVSA-N 356.323 2.489 30 50 FEEA COCCN1C[C@@H]2CC[C@H]1CN(Cc1ccc(C#CC(C)(C)O)cc1)C2 211915710 ROQRMFSRLMUFOA-RTWAWAEBSA-N 356.510 2.352 30 50 FEEA CC(C)Cn1c(N/N=C/c2ccccc2Cl)nc2c1c(=O)[nH]c(=O)n2C 5917408 OINJQVASVDKVIF-UFWORHAWSA-N 374.832 2.179 30 50 FEEA Cc1cc(C)c(S(=O)(=O)N[C@H](Cc2ccc(C#N)cc2)C(=O)O)c(C)c1 4092025 KKUIUQHZBYSMHB-QGZVFWFLSA-N 372.446 2.458 30 50 FEEA CCOc1ccc(S(=O)(=O)N/N=C2/C(=O)Nc3ccc(CC)cc32)cc1 8446070 LTNOFESWGQFWLV-UHFFFAOYSA-N 373.434 2.282 30 50 FEEA CCOC(=O)N1CCN([C@@H]2CCCN(c3nc(C)ccc3C#N)C2)CC1 72121762 CYRNGHCEVQDBQQ-QGZVFWFLSA-N 357.458 2.005 30 50 FEEA COc1ccc(C(=O)N2CCN(Cc3cc(C#N)n(C)c3C)CC2)cc1 72163713 CIFGUJUTOVDNAJ-UHFFFAOYSA-N 352.438 2.172 30 50 FEEA CCOc1cc(C=NN2C(=O)[C@@H]3[C@H]4C=C[C@@H]([C@@H]5C[C@H]45)[C@H]3C2=O)ccc1O 245227077 YTDUBYPQQWZWGR-HBRAGZAPSA-N 352.390 2.178 30 50 FEEA Cc1noc(C[C@]2(O)CCCN(Cc3cn4ccccc4c3C#N)C2)n1 886091681 IHHGKXCQGBHZFZ-LJQANCHMSA-N 351.410 2.072 30 50 FEEA C[C@@]1(C(=O)Nc2c(C#N)cnn2-c2ccccc2)CC(=O)N=C2C=CC=CN21 170575328 KJNZVAONFDBZIR-FQEVSTJZSA-N 372.388 2.155 30 50 FEEA CC(C)CN1CCCC[C@@H]1CCn1ccc2[nH]c(=O)c(C#N)cc2c1=O 67605133 LMLNCYFVMYXDOF-MRXNPFEDSA-N 354.454 2.462 30 50 FEEA C=C(C)COc1ccccc1CN1CCC2(CC1)C(=O)NCCCN2C 67804492 GMGOCIOXQBLMNR-UHFFFAOYSA-N 357.498 2.428 30 50 FEEA N#Cc1ccc(S(=O)(=O)N2CCCC[C@H]2CCN2CCCC2=O)cc1 77438527 BQOSAJAUIHZHPQ-INIZCTEOSA-N 361.467 2.114 30 50 FEEA N#Cc1ccc(O[C@@H]2CCOC[C@H]2NC(=O)c2ncoc2C2CC2)cc1 220474749 FEQGPNVITMHYQT-HZPDHXFCSA-N 353.378 2.390 30 50 FEEA Cc1noc(C)c1CN1C(=O)[C@H]2CC[C@@H]1CN(Cc1cc(C#N)n(C)c1)C2 92082051 CMFXAADCBDEJJX-DLBZAZTESA-N 367.453 2.125 30 50 FEEA O/C(=N/C[C@@H]1CCC2(CCOCC2)[C@H]1O)C1CCN(c2cnccn2)CC1 328717019 UILAYAJLRZMRHA-WMZOPIPTSA-N 374.485 2.217 30 50 FEEA N#Cc1ncccc1S(=O)(=O)N[C@H](c1ccccc1)C1CCOCC1 372992790 ZACULJWRKXTGCZ-GOSISDBHSA-N 357.435 2.399 30 50 FEEA C[C@H](CCN1CCOCC1)NC(=O)N1CCC(C#N)(c2ccccc2)CC1 426443482 WZENCEAQCZASLJ-GOSISDBHSA-N 370.497 2.364 30 50 FEEA CN(CC1CCC(/N=C(/O)[C@@H]2CCCN2C)CC1)C(=O)[C@@H]1CCCN1C 329305624 OWOROBOPCRFHDX-FOIPXRHGSA-N 364.534 2.149 30 50 FEEA C#CCCC1(CCC(=O)N2CCN(c3nsc(C4CC4)n3)CC2)N=N1 2325892918 QKBLJYVSZQFBEA-UHFFFAOYSA-N 358.471 2.420 30 50 FEEA NC(N)=NN=C(/C=C/c1ccc([N+](=O)[O-])o1)/C=C/c1ccc([N+](=O)[O-])o1 8767800 XQCFHQBGMWUEMY-ZPUQHVIOSA-N 360.286 2.045 30 50 FEEA in-man Cn1nccc1[C@H]1[C@H](NCc2ccc(F)c(C#N)c2)CC(=O)N1C1CC1 284659816 FYVUPPZBXMEWRP-VQIMIIECSA-N 353.401 2.025 30 50 FEEA N#CC1(c2ccccc2)CCN(C(=O)NC[C@H]2CC(=O)N(C3CC3)C2)CC1 426515483 FSPWCPSXDQWXNJ-MRXNPFEDSA-N 366.465 2.264 30 50 FEEA Cc1ccc(C#N)c(N2C[C@@H]3CC[C@H](C2)N(Cc2cscn2)C3=O)n1 91625340 JLBSPJJFBNBATB-GOEBONIOSA-N 353.451 2.346 30 50 FEEA CN(C[C@H]1CCN(C(=O)c2ccc(C#N)[nH]2)C1)C(=O)[C@@H]1Cc2ccccc21 2325824967 XMAYUHFXSQFESK-RDTXWAMCSA-N 362.433 2.147 30 50 FEEA CCn1cc(NC(=O)NC2CCN(c3ncccc3C#N)CC2)c(C)n1 97641912 GIZXCQPGAAELCZ-UHFFFAOYSA-N 353.430 2.269 30 50 FEEA C=CCNC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(OCC)c(C)c2)C1 6703583 WDFPAXMLKVTOGK-OAHLLOKOSA-N 366.483 2.097 30 50 FEEA CC(C)CN(CC#Cc1ccccc1)C(=O)COc1ccc2nncn2n1 55271345 BNLABEBCAGAWOF-UHFFFAOYSA-N 363.421 2.039 30 50 FEEA COc1ccc(/C=N/n2c(C)n[nH]c2=S)cc1Cn1ccc([N+](=O)[O-])n1 2793547 PAFCOZRUOBJZFQ-LZYBPNLTSA-N 373.398 2.293 30 50 FEEA CCC(=O)NCc1ccncc1O[C@H]1CCN(c2ncccc2C#N)C1 952849915 VGXSJTDIMQTOFL-INIZCTEOSA-N 351.410 2.032 30 50 FEEA COc1cc(N2CC(=O)C(c3nc(C)cs3)=C2N)cc(OC)c1OC 13731633 LSXXNDXAGZIXHO-UHFFFAOYSA-N 361.423 2.194 30 50 FEEA COc1nccc(N2CCN(Cc3ccc(C)cc3)[C@H](CCO)C2)c1C#N 106953352 MQPZKZZMKLERSS-GOSISDBHSA-N 366.465 2.344 30 50 FEEA Cc1csc(N2CCC(C(=O)Nc3nc4n(c3C#N)CCS4)CC2)n1 329589262 XZAWNBMTXRKDOK-UHFFFAOYSA-N 374.495 2.481 30 50 FEEA N#Cc1ccc(C(=O)N2C[C@H]3CC[C@@H]2CN(C(=O)c2ccncc2)C3)cc1 92107340 SLLPCHGTOYXSED-QFBILLFUSA-N 360.417 2.330 30 50 FEEA N#Cc1cccc(N2CCC3(CCC(=O)N(C[C@@H]4CCCO4)C3)CC2)n1 91746936 NXDRAMLVUFSWSK-KRWDZBQOSA-N 354.454 2.341 30 50 FEEA CC#CC(=O)N1CCC2(CC1)C[C@@H]2C(=O)N1CCN(C2CCCCC2)CC1 299757027 HDGBMLIBHANKJS-LJQANCHMSA-N 371.525 2.115 30 50 FEEA O=C(Cc1cccs1)N1CCCN(Cc2ccc(C#CCO)cc2)CC1 1775978966 RIVQUQBMOMQALN-UHFFFAOYSA-N 368.502 2.369 30 50 FEEA CC(C)c1noc([C@H](N/C(O)=N/[C@@H]2CCO[C@@H]2C)C2CCOCC2)n1 328645916 ZUHLTUXWDJOYRG-MRVWCRGKSA-N 352.435 2.342 30 50 FEEA CCN(CC)[C@H]1CCN(/C(O)=N/Cc2ccc(C)c(S(C)(=O)=O)c2)C1 331290158 PEIZHGVLSFKYFF-INIZCTEOSA-N 367.515 2.229 30 50 FEEA CC1(C)OB(c2c([Si](C)(C)C)nnn2Cc2ccccc2)OC1(C)C 169995711 BSRMDWYBIWENRW-UHFFFAOYSA-N 357.339 2.171 30 50 FEEA Cc1cc(N2CCN(c3ncccc3C#N)CC2)nc(-c2cccnc2)n1 65452870 YADXXUTVNVHVNW-UHFFFAOYSA-N 357.421 2.440 30 50 FEEA Cn1cc([C@H]2C(C(=O)c3ccco3)=C(C(F)(F)F)Nc3ncnn32)cn1 20606707 HHFCQZYNSVWNQZ-NSHDSACASA-N 364.287 2.319 30 50 FEEA Cc1nc(N/C(N)=N/C(=O)c2ccc([N+](=O)[O-])cc2)nc2ccccc12 3900862 QSLFMJWEUZCEJC-UHFFFAOYSA-N 350.338 2.413 30 50 FEEA Cc1c(S(=O)(=O)NC2(c3ccc(C#N)cc3)CC2)coc1C(=O)N(C)C 1875391919 ZSGQURWFZYIZIZ-UHFFFAOYSA-N 373.434 2.129 30 50 FEEA COC(=O)c1nnn(Cc2ccccc2)c1NC(=O)c1cccc(C#N)c1 240555649 GWWVBLNLINEJJZ-UHFFFAOYSA-N 361.361 2.237 30 50 FEEA COc1ccc(/C=N/N2C(=O)[C@H]3[C@H]4C=C[C@@H]([C@H]5C[C@H]54)[C@H]3C2=O)c(OC)c1 244659429 HCKZNPLHWXTKAE-RIMFYDMWSA-N 352.390 2.091 30 50 FEEA Cc1nnc(SCC(=O)O)n1/N=C/c1cc(Br)ccc1O 2532903 YHMOOENJWVSKTR-LHHJGKSTSA-N 371.216 2.114 30 50 FEEA N#Cc1c(SCC(=O)Nc2ccccc2)sc2c(=O)[nH]c(O)nc12 4987715 SRGUBUKLSYOFJF-UHFFFAOYSA-N 358.404 2.293 30 50 FEEA C[C@H](OC[C@H]1CCCO1)C(=O)N1CCCN(c2ccccc2C#N)CC1 229683626 LHJCTUJGHQPPJM-FUHWJXTLSA-N 357.454 2.181 30 50 FEEA Cc1cc(C)c(CNC(=O)N2CC[C@@H](Oc3ccc(C#N)cn3)C2)c(O)n1 291687297 NUIMEDDAUCDIOE-OAHLLOKOSA-N 367.409 2.034 30 50 FEEA C=C(Cl)Cn1c(=O)c(CNCCn2cncn2)cc2ccc(C)cc21 299777547 KYDFDEDFUCPORO-UHFFFAOYSA-N 357.845 2.444 30 50 FEEA Cn1c2c(c(=O)n(C)c1=O)[C@@H](c1ccccc1)C1=C(N2)c2ccccc2C1=O 17044045 DCMLCRHDZHXHBN-HNNXBMFYSA-N 371.396 2.249 30 50 FEEA CCC#CC[C@H](C)[C@H](O)C#C[C@H]1[C@@H](O)C[C@H]2C/C(=C\COCC(=O)O)C[C@H]12 64857982 ARUGKOZUKWAXDS-KOBPUMFTSA-N 374.477 2.225 30 50 FEEA in-vitro CC(C)=C1Oc2c(ccc(O)c2CN2CCN(c3cnccn3)CC2)C1=O 218541511 ILEKLWBZYQFGBM-UHFFFAOYSA-N 366.421 2.373 30 50 FEEA C[C@@H]1C[C@@H]1N1C[C@@H](/N=C(/O)N2CCC(Cc3cccnc3)CC2)CC1=O 329096155 BQGMCCVIXNOCJG-JLSDUUJJSA-N 356.470 2.259 30 50 FEEA N#Cc1ccc(O[C@@H]2CCN(C(=O)COc3ccc(F)cc3F)C2)nc1 368639764 XOUFVOJOGQNSJM-CQSZACIVSA-N 359.332 2.290 30 50 FEEA CC(C)(C)OC(=O)NCCCn1cc(B2OC(C)(C)C(C)(C)O2)cn1 382741907 OSPRIEIOIUDYFI-UHFFFAOYSA-N 351.256 2.097 30 50 FEEA OCC#Cc1ccc(CN2CC[C@H](c3ccc4c(c3)OCO4)[C@@H](O)C2)cc1 1565509565 HBAUBMKQHIHXJY-UXHICEINSA-N 365.429 2.110 30 50 FEEA C=CCn1nc(C(=O)N2CCSCC2)c2c1CC[C@H](NCC1CC1)C2 14746021 HWFMOGQOFZRZAU-HNNXBMFYSA-N 360.527 2.115 30 50 FEEA C=CCNc1nc2ccc(C)cn2c(=O)c1/C=C1/SC(=S)N(C)C1=O 16247087 YRFGCCAFEQGRSY-XYOKQWHBSA-N 372.475 2.432 30 50 FEEA CN(C[C@H]1CCc2nc(C(F)(F)F)cn2C1)/C(O)=N/C1CCOCC1 328624465 JYFRUVXAWQMZLP-LLVKDONJSA-N 360.380 2.489 30 50 FEEA N#C[C@@H]1CCCN(c2ncnc3c2CCN(C(=O)c2ccco2)CC3)C1 72470485 SREKJFAFNNNVEM-AWEZNQCLSA-N 351.410 2.051 30 50 FEEA C=C(C)Cn1nc(CS(C)(=O)=O)nc1-c1cccc(C(F)(F)F)n1 1875325213 UEEBPHYVZRZQDR-UHFFFAOYSA-N 360.361 2.480 30 50 FEEA C=CCc1cc(C(=O)N2CCN(C)C3(CCN(C)CC3)C2)ccc1OC 67817536 ZYKZMMNKMUVLES-UHFFFAOYSA-N 357.498 2.276 30 50 FEEA CCOC(=O)C(C(=O)OCC)=C(N)N/N=C/c1ccc(C(C)(C)C)cc1 4689465 FCFSUUVUZGRVPH-CIAFOILYSA-N 361.442 2.204 30 50 FEEA COc1ccc(NC(=O)N2CCC([C@H](O)c3nccn3C)CC2)cc1C#N 96141202 HUEIEFXFCJBHJG-KRWDZBQOSA-N 369.425 2.278 30 50 FEEA O=C(C1=C(O)C(=O)N(CCO)[C@H]1c1ccc([N+](=O)[O-])cc1)c1ccccc1 16956713 VMXSAUBUGKWNQB-INIZCTEOSA-N 368.345 2.165 30 50 FEEA O/C(=N/Cc1ccoc1)N1CCO[C@@H](c2ccnc(N3CCCC3)n2)C1 328642770 YMDYSIJYDSPCQQ-MRXNPFEDSA-N 357.414 2.157 30 50 FEEA Cn1c(=O)c(CN2CCN(c3ncccc3C#N)CC2)cc2ccccc21 65460054 UCWMYGSQKMIJJS-UHFFFAOYSA-N 359.433 2.127 30 50 FEEA Cc1n[nH]cc1C/N=C(/O)NC[C@@H]1C[C@H](F)CN1Cc1cccs1 328654404 XJQMNEIUMBEGPA-KBPBESRZSA-N 351.451 2.396 30 50 FEEA Cc1oc(C#N)cc1C(=O)N(C)C[C@@H]1CCCN(C)[C@H]1c1ccnn1C 284690462 XPLJDTFXOKTZQU-KBXCAEBGSA-N 355.442 2.348 30 50 FEEA C=CCn1c(S[C@H](C)C(=O)NC2CCCC2)nnc1C1CCNCC1 426518840 SOPUHUBBCGQSGP-CYBMUJFWSA-N 363.531 2.471 30 50 FEEA CC1(C)CC(=O)C2=C(C1)Nc1[nH]c(=O)[nH]c(=O)c1[C@H]2c1ccc(F)cc1 4201569 WCCZLHNYNNHDBD-ZDUSSCGKSA-N 355.369 2.403 30 50 FEEA biogenic O=C(/C(=N\O)n1cncn1)c1ccc(Br)cc1Br 4828594 ZQEHBOYABWJKBO-XNTDXEJSSA-N 373.992 2.322 30 50 FEEA CCOC(=O)[C@@H]1[C@H](C)Oc2nc(N)c(C#N)c(N)c2[C@@H]1c1cccs1 1848444167 RPKBTAKFPSDZFK-XXILOJSOSA-N 358.423 2.271 30 50 FEEA C#CCCC1(CCNC(=O)c2cc(F)c(N3CCOCC3)c(F)c2)N=N1 2325891492 KIMJVVPBNVWXHX-UHFFFAOYSA-N 362.380 2.497 30 50 FEEA C=CCNc1ccccc1C(=O)NCc1ccc2c(c1)n(C)c(=O)n2C 55228140 PRDJUZARDXNKAO-UHFFFAOYSA-N 350.422 2.405 30 50 FEEA Cc1nn(C)c(Cl)c1S(=O)(=O)Nc1cc(N(C)C)ccc1C#N 121770167 AGJFUTAAOGYFDU-UHFFFAOYSA-N 353.835 2.120 30 50 FEEA CC(C)n1ncc(B2OC(C)(C)C(C)(C)O2)c1I 169978552 RNFVPJOAZMJIFU-UHFFFAOYSA-N 362.020 2.368 30 50 FEEA COc1ccc(/C=N/n2c(C)nnc2-n2nc(C)cc2C)cc1[N+](=O)[O-] 2742771 DZHBAFGVPWLQBL-RQZCQDPDSA-N 355.358 2.188 30 50 FEEA C=CCNC(=O)CN(Cc1ccccc1)S(=O)(=O)c1ccc(F)cc1 2984068 IDAJSBXUBCXWBE-UHFFFAOYSA-N 362.426 2.319 30 50 FEEA CS(=O)(=O)N(C1CCC1)[C@@H]1CCCN(C[C@@H](C#N)CCC#N)CC1 328621640 AODXYELTUSVAGE-NVXWUHKLSA-N 352.504 2.099 30 50 FEEA C=C[C@@H](O)[C@](/C=C\I)(CO)OCc1ccccc1 43763232 BUWPKBVKAUNNPL-OZMYFSDFSA-N 360.191 2.430 30 50 FEEA N#Cc1cc(-c2ccc(C(=O)NCCN3CCOCC3)cc2)ccc1F 426513451 AIDIXXNYBJJXDI-UHFFFAOYSA-N 353.397 2.426 30 50 FEEA COc1ccc(/C=N/N2C(=O)[C@@H]3[C@H]4C=C[C@@H]([C@@H]5C[C@H]45)[C@H]3C2=O)c(OC)c1 245226641 HCKZNPLHWXTKAE-DANMIINGSA-N 352.390 2.091 30 50 FEEA CC(C)n1cc(C(=O)N2CCCN(C(=O)c3ccc(C#N)cc3)CC2)cn1 1772712460 SHXSEGBEIKNLHK-UHFFFAOYSA-N 365.437 2.324 30 50 FEEA CC(=O)N[C@@H]1CC[C@@H](C(F)(F)F)N(C(=O)Cc2ccc(C#N)cc2)C1 330572012 NBMLLQHPSAKNKT-CABCVRRESA-N 353.344 2.159 30 50 FEEA CC[C@H](NC(=O)c1ccc(C#CC(C)(C)O)o1)c1cn2cccnc2n1 1506416974 ZEWHRTGJAWDAQP-AWEZNQCLSA-N 352.394 2.326 30 50 FEEA Cc1c(CN2CCCN(C(=O)[C@H]3CC(C(C)C)=NO3)CC2)cc(C#N)n1C 1800415065 ZVAZOMKZVGRTIA-LJQANCHMSA-N 371.485 2.040 30 50 FEEA NS(=O)(=O)c1ccc(CCNC2=CC(=O)C[C@H](c3ccco3)C2)cc1 2492153 GQTVCAMXOKTRNK-CQSZACIVSA-N 360.435 2.090 30 50 FEEA CC(C)[C@H]1COCCN(C(=O)[C@H]2CC(=O)N(c3ccc(C#N)cc3)C2)C1 2325784298 RBKXXIHQGHJPEK-DLBZAZTESA-N 355.438 2.042 30 50 FEEA C=CCN1CC2(CCC1=O)CCN(C(=O)c1c[nH]c(=O)c(Cl)c1)CC2 91691341 IXQNKNPQXXRZDL-UHFFFAOYSA-N 363.845 2.059 30 50 FEEA CNC(=O)c1ccc([C@H]2CCCCN2CC(O)=Nc2nncs2)n1C 328656471 ZITHAURVWHXCGZ-GFCCVEGCSA-N 362.459 2.051 30 50 FEEA N#CC1(C(=O)N[C@H](c2ccc(F)cc2F)[C@H]2C[C@@H](O)C2)CCOCC1 244724671 MYHZMRSQDOFRKK-GHJWDPDVSA-N 350.365 2.213 30 50 FEEA COc1ccc(C(=O)/C=C/Nc2ccc(S(N)(=O)=O)cc2)c(OC)c1 1310305 FUQMGSZIWZJGLG-MDZDMXLPSA-N 362.407 2.160 30 50 FEEA Cc1ccc(/C=N/N2C(=O)[C@@H]3[C@H]4C=C[C@@H]([C@@H]5C[C@@H]45)[C@H]3C2=O)cc1[N+](=O)[O-] 239403043 RLGVJTSLMWJIQA-OCKGCPIVSA-N 351.362 2.290 30 50 FEEA N#Cc1c(N)nc2c(c1-c1ccsc1)CN(C(=O)[C@H]1CCCO1)CC2 72165047 JJLKILAISHOUGY-OAHLLOKOSA-N 354.435 2.328 30 50 FEEA C[C@H](Sc1ccccn1)C(=O)N1CCN(c2ccccc2C#N)C(=O)C1 82161563 YIBZUBUQLHEZQA-AWEZNQCLSA-N 366.446 2.309 30 50 FEEA C#CCCC1(CCC(=O)NC[C@@H]2CCS(=O)(=O)c3ccccc32)N=N1 2325887130 VRRGTLMLTCJFSP-AWEZNQCLSA-N 359.451 2.420 30 50 FEEA C#CCCC1(CCNC(=O)c2nc(C(F)(F)F)n3ccncc23)N=N1 2325887508 XZBAPPOCCAJANB-UHFFFAOYSA-N 350.304 2.444 30 50 FEEA CC1=CCN(C(=O)c2cccc(S(=O)(=O)N3CCC[C@H](C#N)C3)c2)CC1 216293480 ZOOSFYQRISUVOA-MRXNPFEDSA-N 373.478 2.403 30 50 FEEA CCCC(=O)N1CCc2nc(N)c(C#N)c(-c3ccc(C#CCO)cc3)c2C1 72150707 WGCLVVLIDYAINP-UHFFFAOYSA-N 374.444 2.231 30 50 FEEA CN1CC[C@@H](N(C)CCC(=O)N2CCC(C#N)(c3ccccc3)CC2)C1 426477194 JQGRTPKUFIJVMV-LJQANCHMSA-N 354.498 2.096 30 50 FEEA C[C@H](C1CC1)n1cc(NC(=O)N2CCN(c3ccc(C#N)cn3)CC2)cn1 189640949 RUHRFMHTEXONCS-CQSZACIVSA-N 365.441 2.475 30 50 FEEA CC(=O)N1C[C@H](CC/C(O)=N/[C@@H]2CC(=O)N(C(C)C)C2=O)c2ccccc21 329615397 KXANVZXNGZQDGN-GOEBONIOSA-N 371.437 2.409 30 50 FEEA CCOc1ccc(N2CC(=O)C(c3nc4ccccc4c(=O)[nH]3)=C2N)cc1 15990192 VJVMPYUTDDSQEX-UHFFFAOYSA-N 362.389 2.038 30 50 FEEA C#CCCC1(CCNC(=O)CCc2c(C)nc3c(C#N)cnn3c2C)N=N1 2325893751 ZGHXHTGHGBMUHU-UHFFFAOYSA-N 363.425 2.232 30 50 FEEA COC1CCC(CC(=O)NS(=O)(=O)Cc2cccc(C#N)c2)CC1 121858515 HAACLKZWTDBIEG-UHFFFAOYSA-N 350.440 2.100 30 50 FEEA N#Cc1cccnc1N[C@H]1CN(CC(=O)N2CCCCC2)C[C@@H]1C1CC1 91656664 SGVRLYSIMWKLFV-MSOLQXFVSA-N 353.470 2.088 30 50 FEEA CCC#CC[C@H](C)[C@H](O)C#C[C@@H]1[C@H]2C/C(=C/COCC(=O)O)C[C@@H]2C[C@H]1O 26844684 ARUGKOZUKWAXDS-PWUDJEOVSA-N 374.477 2.225 30 50 FEEA in-vitro N#Cc1cccnc1-c1cccc(C(=O)NCCN2CCCOC2=O)c1 426620320 ZJSIFKQBBJVWNS-UHFFFAOYSA-N 350.378 2.192 30 50 FEEA C[C@@H]1CCc2c(sc(NC(=O)CN3CCN4CCC[C@H]4C3)c2C#N)C1 239025454 BQXPOWKWSSMFGL-KGLIPLIRSA-N 358.511 2.463 30 50 FEEA CCc1nnc([C@]23CCC[C@H]2CN(C(=O)c2ccc(C#N)c(C)n2)C3)o1 952886216 JGMDVWUYDZEQHV-LIRRHRJNSA-N 351.410 2.401 30 50 FEEA CC(=O)O[C@H](C(=O)/N=C(\N)Nc1nc2ccccc2o1)c1ccccc1 18276951 BIQULEMGPZBKDC-HNNXBMFYSA-N 352.350 2.385 30 50 FEEA C=CCCN1C(=O)[C@H](CC(=O)NC2CC2)S/C1=N\CCc1ccccn1 853234599 UCGWEVYXYHIMKU-XOMICKMZSA-N 372.494 2.169 30 50 FEEA C=CCc1cc(CN2CCNC(=O)[C@@H]2CC(=O)OC)ccc1OC(C)C 63872167 SIFFQPQHRTUSFB-KRWDZBQOSA-N 360.454 2.066 30 50 FEEA Cn1c(CN2CCCC2)nnc1C1CCN(c2ncccc2C#N)CC1 77322461 XHILHICELBRMCU-UHFFFAOYSA-N 351.458 2.062 30 50 FEEA C[C@H](C(O)=Nc1ncccn1)N(C)C[C@@H]1CCCN(C)[C@H]1c1cnn(C)c1 328636924 OIWDXMRXCASHBO-HLLBOEOZSA-N 371.489 2.202 30 50 FEEA C[C@H](C1CC1)n1nccc1NC(=O)N1CCN(c2ccc(C#N)cn2)CC1 187732107 HGDVFZFFTDOEBG-CQSZACIVSA-N 365.441 2.475 30 50 FEEA Cc1cccc(/C(N)=N/OC(=O)CCCN2C(=O)c3ccccc3C2=O)c1 5059893 BDTSZOWJPJQJCC-UHFFFAOYSA-N 365.389 2.235 30 50 FEEA C[C@H](Oc1ccc(Br)cc1)C(=O)O/N=C(\N)c1ccccn1 5059986 KDARCBIPGQMBEW-JTQLQIEISA-N 364.199 2.475 30 50 FEEA C=CCn1cc(CN2CCCN(C(=O)Cc3cccc(F)c3)CC2)cn1 1772819043 OCOMDJLNZWICCP-UHFFFAOYSA-N 356.445 2.485 30 50 FEEA Cc1oc(C#N)cc1C(=O)N(C)C[C@@H]1CCCN(C)[C@H]1c1cnn(C)c1 366672954 LXKYESQBIDWDOU-KBXCAEBGSA-N 355.442 2.348 30 50 FEEA C[C@H]1CN(c2ccc(C#N)cc2)C(=O)CN1C(=O)c1cn2ccsc2n1 82107946 HLJVBMJYXXZZDP-LBPRGKRZSA-N 365.418 2.145 30 50 FEEA N#Cc1cccc(C(=O)N2CC[C@@]3(CCCN(C4CCOCC4)C3=O)C2)c1 91768848 LWYVCYPELXSSLN-NRFANRHFSA-N 367.449 2.192 30 50 FEEA CC(C)(C)OC(=O)N1CCC(C(=O)ON2C(=O)c3ccccc3C2=O)CC1 1772786450 UFRJUMUSTXGUPA-UHFFFAOYSA-N 374.393 2.388 30 50 FEEA C[C@]1(O)CCCN(c2cc(N3CCC[C@@](C)(O)C3)cc(C#N)c2[N+](=O)[O-])C1 270866693 AYJCVVNDRGPCIP-MOPGFXCFSA-N 374.441 2.169 30 50 FEEA Cc1cccc(-c2nnc(S)n2CCC(=O)NC2(C#N)CCOCC2)c1 170650219 WYNOILRFJMPGRJ-UHFFFAOYSA-N 371.466 2.121 30 50 FEEA N#Cc1cccc(CS(=O)(=O)NC(=O)C[C@H]2OCCc3ccccc32)c1 115911169 PDHKUGFBNUBIJG-GOSISDBHSA-N 370.430 2.208 30 50 FEEA CN(Cc1ccc(-c2cc(-c3ccc[nH]3)nc(N)c2C#N)o1)S(C)(=O)=O 71757195 BVEYUUMCKGUXCM-UHFFFAOYSA-N 371.422 2.182 30 50 FEEA N#Cc1cccc(CN2CCN([C@H]3CCOC4(CCOCC4)C3)CC2)c1 82099231 XPDQEEXVZQBLQI-FQEVSTJZSA-N 355.482 2.404 30 50 FEEA Cc1coc(C(=O)N2CCC[C@@H]3CN(c4cncc(C#N)n4)CC[C@@H]32)c1 1875407704 GEQPCSBVPRQFQM-ZBFHGGJFSA-N 351.410 2.381 30 50 FEEA C=CCN1CC2(CCC1=O)CCN(C[C@H]1Cc3c(C)nc(C)nc3O1)CC2 91691612 OBUTUFXUZDKFAZ-QGZVFWFLSA-N 370.497 2.288 30 50 FEEA C[C@]12CC[C@@H]3[C@]4(CCC5=CC(=O)CC[C@]53[C@@H](O)O4)[C@H]1CC[C@H]2C(=O)CO 257349417 NZXFRHUXGRUMMY-VIMRINFKSA-N 360.450 2.147 30 50 FEEA CC(C)(O)C#Cc1ccc(C(=O)N2CCC([C@H](O)c3ccccn3)CC2)o1 952966594 VLGABZYOQMYFRC-IBGZPJMESA-N 368.433 2.383 30 50 FEEA CN1C[C@@H]2C[C@H](N(C)Cc3ccc(C#CC(C)(C)O)cc3)C[C@@H]2CC1=O 1704340011 BOYYABPAYSVZML-HSALFYBXSA-N 354.494 2.498 30 50 FEEA C#C[C@](O)(c1ccc(OCOC)cc1)[C@H](O)c1ccc(OCOC)cc1 19909191 JDXDOJVMTZQQNP-UXHICEINSA-N 358.390 2.206 30 50 FEEA C=CCNC(=O)Cn1c(-c2ccccc2)nn(-c2ccc(OC)cc2)c1=O 77421097 RDRCAYUUJLEMHH-UHFFFAOYSA-N 364.405 2.012 30 50 FEEA COC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cn1C(=O)OC(C)(C)C 169794573 IKRSLFIYLPMLIF-UHFFFAOYSA-N 351.208 2.357 30 50 FEEA in-vitro Cc1ccc(S(=O)(=O)/N=C2\NC(=O)/C(=C/c3ccncc3)S2)cc1 6088878 UTAVTBMELNVCTM-UVTDQMKNSA-N 359.432 2.339 30 50 FEEA COc1ccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2CCO)cc1 13131111 XTDPAIHXFDXTKX-KRWDZBQOSA-N 353.374 2.266 30 50 FEEA OC(=Nc1ccc(F)cn1)N1CCO[C@H](c2ccnc(N3CCCC3)n2)C1 328626163 LKWFHLTZVYRACC-HNNXBMFYSA-N 372.404 2.230 30 50 FEEA COCCn1nc2c(c1C(=O)N1CCC(C)(C#N)CC1)C[C@H](C)O[C@@H]2C 1875314742 PPUYQHAFHQIIBO-UONOGXRCSA-N 360.458 2.318 30 50 FEEA CC(C)(C)OC(=O)NC1(CC(=O)ON2C(=O)c3ccccc3C2=O)CC1 1772785205 RBJWEFYGSKKMRA-UHFFFAOYSA-N 360.366 2.188 30 50 FEEA Cc1ccc(-n2nc(C(=O)N[C@@H]3CCCN(O)C3=O)c3c2CCC3)c(C)c1 848137399 AIXWFTUZJUTGFW-OAHLLOKOSA-N 368.437 2.088 30 50 FEEA Cc1cnc([C@H](C)CNC(=O)N2CCN(c3ccc(C#N)cn3)CC2)s1 184471085 RDSRSCIEVBUQOK-CYBMUJFWSA-N 370.482 2.354 30 50 FEEA C#CCCC1(CCC(=O)N[C@H]2CCCN(Cc3ccccn3)C2=O)N=N1 952883395 ZHXZILSQIGUIMK-INIZCTEOSA-N 353.426 2.045 30 50 FEEA CCOC(=O)C1=C(N)Oc2ccc(Cl)cc2[C@@H]1[C@@H](C#N)C(=O)OCC 1030605 DXVKFBGVVRSOLI-DGCLKSJQSA-N 364.785 2.252 30 50 FEEA in-vitro C/C(O)=N/[C@]1(c2noc(C)n2)CCN(c2snc(Cl)c2C#N)C1 328608457 ALPSFKJYDJVCKK-CYBMUJFWSA-N 352.807 2.442 30 50 FEEA Cc1nc(CN/C(O)=N/C[C@@H]2C[C@H](F)CN2Cc2cccs2)no1 328657041 ZYDDJNUTMCTDTI-RYUDHWBXSA-N 353.423 2.056 30 50 FEEA CCn1cc(CN2CCc3nnc(Cc4cccnc4)n3CC2)cc1C#N 72151349 KPXADCISIQSIHQ-UHFFFAOYSA-N 361.453 2.015 30 50 FEEA C#Cc1cccc(NC(=O)CNC(=O)[C@@](C)(O)CCc2ccccc2)c1 242284613 YIDKLKNIIAMLEE-NRFANRHFSA-N 350.418 2.106 30 50 FEEA CC1(C)CC(=O)C=C(C(=O)N2CCC[C@H](CCC(=O)N3CCCC3)C2)O1 12596287 YVCNICGUVTZLSN-OAHLLOKOSA-N 362.470 2.280 30 50 FEEA C#CCCC1(CCNC(=O)Cc2nnc(-c3ccccc3OC)o2)N=N1 2325893729 XAJYGXSUSQXQDC-UHFFFAOYSA-N 353.382 2.370 30 50 FEEA C#CCN1C(=O)[C@@](O)(CC(=O)c2ccc(OC)c(OC)c2)c2ccccc21 915178 FGERLOYWIAWTMD-OAQYLSRUSA-N 365.385 2.144 30 50 FEEA C=CCN(CCC)C(=O)C[C@H]1COc2ccc(C(=O)N(C)C)cc2N1C 71765609 JXDNBYQWOFHBDR-INIZCTEOSA-N 359.470 2.400 30 50 FEEA N#Cc1cc(F)cc(C(=O)NC23C[C@@H]4C[C@H](C2)CC(n2ncnn2)(C4)C3)c1 826768269 ZXJHWFVSVNJNOM-BAUKFBFWSA-N 366.400 2.162 30 50 FEEA Cc1c(CN2CCN3[C@H](COC[C@H]3c3ccccc3)C2)cc(C#N)n1C 1615965881 WXEVAULOITVYDH-SFTDATJTSA-N 350.466 2.463 30 50 FEEA CCN1CC2(CCC1=O)CCN(C(=O)c1ccc(C#CC(C)(C)O)o1)CC2 91808328 SDOSVJKGIUAJRJ-UHFFFAOYSA-N 372.465 2.267 30 50 FEEA Cc1c(Br)cc(C#N)c(=O)n1Cc1nc(CC(C)C)no1 185940890 BXEZXVQTSJXWOR-UHFFFAOYSA-N 351.204 2.421 30 50 FEEA C#CCCC1(CCC(=O)Nc2ccccc2C(=O)N2CCN(C)CC2)N=N1 2325891928 ICOQQQWBDCJKBX-UHFFFAOYSA-N 367.453 2.368 30 50 FEEA CN(C)c1ccc(N[C@H]2CCCN(/C(O)=N/Cc3ccnn3C)CC2)cn1 328646489 SOTAEDXGZAYPJX-HNNXBMFYSA-N 371.489 2.262 30 50 FEEA C/C(O)=N/CC/N=C(/O)N1CCC[C@H](Nc2ccc(N(C)C)nc2)CC1 328632866 LNJHYAXGBMPHOV-HNNXBMFYSA-N 362.478 2.304 30 50 FEEA C[C@H]1OCC(=O)N(Cc2ccccc2)[C@@H]1/C(O)=N/[C@@H]1C[C@@H](C)N(C2CC2)C1 329001497 XOCMYGOKMKSNBK-YVTWGWGSSA-N 371.481 2.384 30 50 FEEA Cc1nc(CC(=O)N[C@@H]2CCOC[C@H]2Oc2ccc(C#N)cc2)cs1 218375593 JDDJQRBBDUFPHS-IAGOWNOFSA-N 357.435 2.218 30 50 FEEA C=CCn1c(S[C@H](C)C(=O)NC(C)(C)C)nnc1C1CCNCC1 426701567 GWQHIAVTGFKOTJ-GFCCVEGCSA-N 351.520 2.326 30 50 FEEA CN(C)CCn1ccnc1[C@@H]1CCCN(C(=O)c2ccc(C#N)cc2)C1 95390214 CWPVQWWOOUDPJJ-GOSISDBHSA-N 351.454 2.336 30 50 FEEA CCOCCC1(CNC(=NCCO)N2C[C@@H](CC)O[C@H](CC)C2)CC1 1875273913 GRDFFJXEYZUSQR-IAGOWNOFSA-N 355.523 2.021 30 50 FEEA C=C[C@@H](C)ONC(=O)N1CCC(c2nccc(-c3cncnc3)n2)CC1 952892153 FGPDGZGDSZWWPM-CYBMUJFWSA-N 354.414 2.329 30 50 FEEA N#Cc1ccsc1N1CC[C@@H](N2CCC[C@](O)(C(F)(F)F)C2)C1=O 408403618 VWFFWCSHUZDWFF-BXUZGUMPSA-N 359.373 2.114 30 50 FEEA C#CCCC1(CCC(=O)N[C@@H](C)c2nc(C(=O)OCC)c(N)s2)N=N1 2325894685 HTDNAQCDDOTOGC-JTQLQIEISA-N 363.443 2.435 30 50 FEEA C=CCN1C[C@H](C(=O)N2CCC(N(C)Cc3ccccc3)CC2)CC1=O 820474714 AGKMSTGWWDRJPJ-GOSISDBHSA-N 355.482 2.144 30 50 FEEA C[C@@H](OC(=O)c1cnnn1-c1ccccc1)C(=O)Nc1ccc(C#N)cc1 1875340900 YJZORRMSKLMJOW-CYBMUJFWSA-N 361.361 2.323 30 50 FEEA COc1ccc(CN2CCC(C#N)CC2)c(OC[C@H](O)CN2CCCC2)c1 95520347 FJWRKBHHJGKXIM-LJQANCHMSA-N 373.497 2.266 30 50 FEEA CN(C)CCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@@H]1c1ccncc1 19582744 VHVOCDPIINQPDT-KRWDZBQOSA-N 369.396 2.361 30 50 FEEA O=c1ccccn1C/C(O)=N/C[C@@H]1CCc2nc(C(F)(F)F)cn2C1 328638881 WRLPHERPVTYZIF-NSHDSACASA-N 354.332 2.283 30 50 FEEA O/C(=N/CCc1nc(-c2ccc3nn[nH]c3c2)no1)OCC(F)(F)F 328595431 VBPDPCFAYVRYKS-UHFFFAOYSA-N 356.264 2.043 30 50 FEEA COCCN1CC[C@@H](CNC(=O)c2cccc(-c3ccc(C#N)nc3)c2)C1 426512309 RGEDZEDXYOPVFW-INIZCTEOSA-N 364.449 2.318 30 50 FEEA CC(=O)N1C[C@@H](NC(=O)c2cccc(CC#N)c2)CC[C@H]1C(F)(F)F 886039468 IGEGNEOTJBYQDZ-GJZGRUSLSA-N 353.344 2.424 30 50 FEEA CN(C)CCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@H]1c1ccccn1 20229634 JINPLNPDOZVUIM-QGZVFWFLSA-N 351.406 2.222 30 50 FEEA COc1ccc(C#N)cc1NC(=O)N1CCC[C@@H](c2ccnc(N)n2)C1 331780678 DZJHLEDETBFZLN-CYBMUJFWSA-N 352.398 2.351 30 50 FEEA N#CC1(/N=C(/O)CN2CCN(C(=O)Cc3ccc(Cl)cc3)CC2)CCC1 329498448 VFVRGYJCNWZKRO-UHFFFAOYSA-N 374.872 2.429 30 50 FEEA Cn1cc([C@@H]2[C@@H](CNc3cccnc3C#N)CCC(=O)N2C2CC2)cn1 952852884 NMAGXIMVFWTDDX-YJYMSZOUSA-N 350.426 2.241 30 50 FEEA Cc1cc(C)c(C#N)c(N[C@H]2CCN(Cc3c(C)noc3C)C[C@@H]2O)n1 1565510105 TWHAQTYHCBVPHC-ROUUACIJSA-N 355.442 2.222 30 50 FEEA O=S(=O)(C1CC1)N1CCC[C@@H](/N=C(/O)N[C@@H]2CC23CCCCC3)C1 329201459 BWEPDGQFHPSBPT-UKRRQHHQSA-N 355.504 2.169 30 50 FEEA C=CC(=O)N1CCC[C@@H](C(=O)N2CCC(Oc3ccc(C#N)cc3)CC2)C1 2325889361 MBBAGMSYFKGNFH-QGZVFWFLSA-N 367.449 2.353 30 50 FEEA C=CCN(Cc1cn(C)nc1-c1ccccc1F)[C@H]1CCS(=O)(=O)C1 20996882 WCAYAZIOUFQISF-HNNXBMFYSA-N 363.458 2.401 30 50 FEEA Cc1csc2ncc(C(=O)Nc3nn(C(C)(C)C)cc3C#N)c(=O)n12 271954689 FUHMELOSOGIHRP-UHFFFAOYSA-N 356.411 2.140 30 50 FEEA CC(=O)N[C@@H]1CC[C@@H](C(F)(F)F)N(C(=O)c2ccc(F)c(C#N)c2)C1 330555310 DZYKADUKWZSPGI-OCCSQVGLSA-N 357.307 2.369 30 50 FEEA CC[C@@H](C)N(CC(=O)O)S(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1 271079465 QGNIEMQTKANSEN-SECBINFHSA-N 364.345 2.451 30 50 FEEA CC(C)c1nc([C@H]2CN(C(=O)c3cnccc3C#N)C[C@@H]2C2CC2)n[nH]1 952848247 IWIGGZKBJNZJON-CVEARBPZSA-N 350.426 2.461 30 50 FEEA CCC[C@@H]1COC[C@@H]2CN(C(=O)c3cccc(C#CC(C)(C)O)c3)CCN21 1616075484 AOCTVKXBOKWBIV-UXHICEINSA-N 370.493 2.134 30 50 FEEA N#Cc1cnc2ccccc2c1N1CCC([C@H]2OCC[C@@H]2C(N)=O)CC1 284414942 DGULNUBIEJVCTL-QFBILLFUSA-N 350.422 2.213 30 50 FEEA CCN(CC)CCN1C(=O)C(O)=C(C(C)=O)[C@@H]1c1ccc([N+](=O)[O-])cc1 19771799 QNSRRUVYLNOULJ-INIZCTEOSA-N 361.398 2.221 30 50 FEEA C#CCCC1(CCC(=O)N2C[C@@H]3OCCN(Cc4ccccc4)[C@@H]3C2)N=N1 2325892192 DIDUBKYLKOVIMG-MOPGFXCFSA-N 366.465 2.454 30 50 FEEA Cc1ccc(O[C@@H]2CCN(S(=O)(=O)c3cccc(C)c3C#N)C2)cn1 328634591 UFTPZUXZGVEHTQ-MRXNPFEDSA-N 357.435 2.412 30 50 FEEA CCCc1cn(C[C@@H]2CCCN(C(=O)C3=CC(=O)CC(C)(C)O3)C2)nn1 48428373 CQMMZUFVYXZVLG-CQSZACIVSA-N 360.458 2.121 30 50 FEEA CCn1c(Cn2ccnc2)nnc1C1CCN(c2cccc(C#N)n2)CC1 92065711 KMIJVJMQXXKYMF-UHFFFAOYSA-N 362.441 2.193 30 50 FEEA CC(C)(C)OC(=O)n1c(=O)oc2c(B3OC(C)(C)C(C)(C)O3)ccnc21 575442736 PXZWKJKPFGKTEQ-UHFFFAOYSA-N 362.191 2.072 30 50 FEEA N#Cc1cccc(CN2CCC(S(=O)(=O)N3CCCC3)CC2)c1F 330382788 PEERMKBZLXGIGI-UHFFFAOYSA-N 351.447 2.087 30 50 FEEA C[C@@H](OC[C@H]1CCCO1)C(=O)N1CCCN(c2ccccc2C#N)CC1 229683616 LHJCTUJGHQPPJM-SJLPKXTDSA-N 357.454 2.181 30 50 FEEA C#C[C@](C)(CC)NC(=O)[C@H](C)n1nc([N+](=O)[O-])c(Br)c1C 1073222 LUDDUTYTPRRTAB-TVQRCGJNSA-N 357.208 2.341 30 50 FEEA C=C[C@]12C=CC[N@+]3([O-])CC[C@@]4(c5ccccc5NC(=O)[C@@]4(C(=O)OC)C1)[C@H]23 255220925 JFEXDLSGCZTMEH-FCBYNPDFSA-N 366.417 2.269 30 50 FEEA biogenic COc1ccc(C(=O)C2=C(O)C(=O)N(CCO)[C@@H]2c2ccc(F)cc2)cc1 13004708 OJLKHPFPNBOLND-QGZVFWFLSA-N 371.364 2.405 30 50 FEEA C=CCNC(=O)CN(c1ccccc1OC)S(=O)(=O)c1ccccc1 2064810 LFSGRKSSAUJPKK-UHFFFAOYSA-N 360.435 2.193 30 50 FEEA CN1CCN(CCCOc2ccccc2CN2CCC[C@H](C#N)C2)CC1 216196240 JTDASDURFMOAMZ-LJQANCHMSA-N 356.514 2.438 30 50 FEEA C#CCCC1(CCC(=O)NC[C@@](O)(c2ncc(C)o2)C(F)(F)F)N=N1 1875368775 PAGVNKYBZAQWAL-CQSZACIVSA-N 358.320 2.205 30 50 FEEA Cc1ncc(C/N=C(/O)N2CCC(OCCN3CCCC3)CC2)s1 329822700 PZRWCCUJVGIOGZ-UHFFFAOYSA-N 352.504 2.442 30 50 FEEA C#CCC1(C(=O)N2C[C@@H](OCC)[C@H](CNC(=O)CC(C)(F)F)C2)CCC1 2325879104 IAGQSGNQALROCK-HUUCEWRRSA-N 370.440 2.205 30 50 FEEA N#CCCN(CCC#N)C(=O)CN1CCC[C@H]1c1nc2c([nH]1)CCCC2 275941175 LHXRPPBIYVDROR-KRWDZBQOSA-N 354.458 2.081 30 50 FEEA COc1ccccc1C1(C(=O)NS(=O)(=O)c2cccc(C#N)c2)CC1 170606818 LZUJGLDKZFRPGX-UHFFFAOYSA-N 356.403 2.104 30 50 FEEA C=C(C)COc1ccccc1C(=O)N1CCN(C(=O)[C@H]2CCCO2)CC1 55199221 WWYYNKPJWXXCIQ-GOSISDBHSA-N 358.438 2.105 30 50 FEEA C#CCCC1(CCC(=O)NC[C@H]2CCN(c3ccccc3)S2(=O)=O)N=N1 1875381605 ARFRQUNFLYDHIZ-MRXNPFEDSA-N 374.466 2.067 30 50 FEEA CCSc1ccc(C(=O)NS(=O)(=O)c2cc(C#N)ccc2C)cn1 170627070 GRONIOSLACDPGQ-UHFFFAOYSA-N 361.448 2.492 30 50 FEEA C#CCn1c(=O)c(CNCCn2nc(C)cc2C)cc2ccc(OC)cc21 12332995 HRRXOJYLFBJIHE-UHFFFAOYSA-N 364.449 2.246 30 50 FEEA C=CCc1cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)cc(OCC)c1OC 1180272 KLVDEUAXZHMDTP-UHFFFAOYSA-N 374.462 2.421 30 50 FEEA C=C(C)CN(C)C[C@]1(O)CCCN(Cc2cccc(OC)c2OC)C1=O 67489670 XVGQDUUDNLBOQH-HXUWFJFHSA-N 362.470 2.065 30 50 FEEA C[C@@H](CCN1CCOCC1)NC(=O)N1CCC(C#N)(c2ccccc2)CC1 426443488 WZENCEAQCZASLJ-SFHVURJKSA-N 370.497 2.364 30 50 FEEA COc1cc(/C=N\NS(=O)(=O)c2ccc(C)cc2C)cc(OC)c1O 32575620 UGIAUJXWEFUHFZ-ZDLGFXPLSA-N 364.423 2.339 30 50 FEEA C[C@]1(F)CN(C(=O)[C@@]23CCCC[C@H]2C3)CCN(c2cnc(C#N)cn2)C1 1875405253 BEXJEHVGDXPPSP-GDIGMMSISA-N 357.433 2.305 30 50 FEEA N#Cc1c(N)nc2c(c1[C@H]1CCOC1)CN(c1ccc3c(c1)OCO3)CC2 72156505 DYCVEDQCXLGXCP-LBPRGKRZSA-N 364.405 2.331 30 50 FEEA N#Cc1ccccc1C(=O)N1C[C@@H]2CC[C@H](C1)N(Cc1cscn1)C2=O 95508462 WXZUYDMCPCZXLA-GOEBONIOSA-N 366.446 2.278 30 50 FEEA CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)ON1C(=O)c2ccccc2C1=O 1772783357 MHUZLKBWHOQGIW-CYBMUJFWSA-N 360.366 2.140 30 50 FEEA C=CC(=O)N1CCC(C(=O)N=C2C[C@H](C)N(Cc3ccccc3)N2)CC1 1875371754 LDDNXEWPRMQEBR-HNNXBMFYSA-N 354.454 2.135 30 50 FEEA Cc1cccc(OCC(=O)N2CCCN(c3ccc(C#N)cn3)CC2)c1 1772807377 NSBIXQFCWLOFGF-UHFFFAOYSA-N 350.422 2.379 30 50 FEEA C=CCN(CC=C)C(=O)CN1CC=C(n2c(=O)[nH]c3ccccc32)CC1 65393806 DVWLANJEKKDFRX-UHFFFAOYSA-N 352.438 2.077 30 50 FEEA COc1ccc2c(c1)[C@H](N)CCN2S(=O)(=O)c1cccc(C)c1C#N 373181520 UIYGYGBROUXHLD-MRXNPFEDSA-N 357.435 2.474 30 50 FEEA CC(C)(O)C#Cc1ccc(CN[C@@H]2CCCN(c3ncccn3)C2)cc1 12050367 YZLOJLADFIVPLA-LJQANCHMSA-N 350.466 2.358 30 50 FEEA Cc1ccc(C#N)c(N2C[C@@H]3CC[C@H](C2)C(=O)N3Cc2c(C)noc2C)n1 213382293 LYAMDRGDZVGMJJ-SJORKVTESA-N 365.437 2.494 30 50 FEEA C=C(C)CSc1nc2c(c(=O)[nH]c(=O)n2C)n1Cc1ccc(C)cc1 633088 JVJFUWZCHLERNL-UHFFFAOYSA-N 356.451 2.448 30 50 FEEA CN(CC(=O)Nc1ccc(C#N)cc1)S(=O)(=O)c1ccc(Cl)cc1 1124374 ZEHVMANDPYFMOP-UHFFFAOYSA-N 363.826 2.471 30 50 FEEA O=C1C(Br)=C[C@H]2[C@H]1[C@H]1C=C[C@@]2(Br)C12OCCO2 100587837 CWLJXBQYHGTEDC-SZVQBCOZSA-N 362.017 2.157 30 50 FEEA Cc1nn(C)c(C)c1[C@H]1[C@H](Nc2ncc(C#N)cc2Cl)CC(=O)N1C 328610333 HIIFBBLRPBJSHO-CZUORRHYSA-N 358.833 2.341 30 50 FEEA Cc1nsc(C)c1C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O 292431594 LSGNDFVZBFFEBT-OAHLLOKOSA-N 354.435 2.163 30 50 FEEA Cc1coc(C(=O)N2CCC[C@H]3CN(c4cncc(C#N)n4)CC[C@H]32)c1 1875407702 GEQPCSBVPRQFQM-GOEBONIOSA-N 351.410 2.381 30 50 FEEA C=CCN(Cc1cccc(OC)c1)S(=O)(=O)N1CCC[C@@H](COC)C1 952966293 HWLKCJLYKXEPCN-QGZVFWFLSA-N 368.499 2.286 30 50 FEEA CC(C)n1nc(B2OC(C)(C)C(C)(C)O2)cc1I 169978549 AQHCEMRFQYIOAB-UHFFFAOYSA-N 362.020 2.368 30 50 FEEA CCN1CCC[C@@H](CN(C)/C(O)=N/CC(C)(C)OC)[C@@H]1c1cnn(C)c1 328642263 YJORTLUSKSFYJE-DOTOQJQBSA-N 365.522 2.464 30 50 FEEA O=C1CN(Cc2cc(C#CCO)cs2)CCN1Cc1ccc(F)cc1 828644586 HGOLQIHDXCXZPI-UHFFFAOYSA-N 358.438 2.075 30 50 FEEA C[C@@H](N)[C@H]1CCCCN1S(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1 269638604 NKNMQSSUQGBTIT-QMTHXVAHSA-N 361.389 2.467 30 50 FEEA C=CCn1c(SCCCc2ccccc2)nc2c1c(=O)n(C)c(=O)n2C 13400753 ZJLHSNGMGVUWJI-UHFFFAOYSA-N 370.478 2.345 30 50 FEEA CC1(C)OB(c2ccc(OCCn3cc(C=S)nn3)cc2)OC1(C)C 169981975 ANOQMJUDXQNJFX-UHFFFAOYSA-N 359.260 2.004 30 50 FEEA N#Cc1ccc(C(=O)N2CC[C@@]34OC[C@@H](c5ccccc5)N3C(=O)C[C@@H]24)cc1 1857727905 FFZBDTRVNDURRJ-JQVVWYNYSA-N 373.412 2.473 30 50 FEEA Cn1cnc(C#N)c1CN[C@H]1CCc2cc(Br)ccc2NC1=O 2325789081 KWHKFIVVRLCFTF-ZDUSSCGKSA-N 374.242 2.097 30 50 FEEA C=CCSc1nnc(-c2cccc(S(=O)(=O)N3CCOCC3)c2)o1 6595460 LYKSMZQBHYYYSH-UHFFFAOYSA-N 367.452 2.036 30 50 FEEA COc1ccc(/C=N/N2C(=O)[C@H]3[C@H](C2=O)[C@H]2C=C[C@H]3C23CC3)cc1OC 105209315 SDANLBNXRDVLKC-BIIANNILSA-N 352.390 2.235 30 50 FEEA Cc1nc([C@H]2CCCN2/C(O)=N/Cc2nccn2CC(F)(F)F)no1 329418581 ZTOQFMIQZHLSPE-SNVBAGLBSA-N 358.324 2.388 30 50 FEEA CN1CCCC[C@@H]1CCC(=O)N1CCN(Cc2ccccc2C#N)CC1 95379813 NBYHTFNJGRNWAQ-HXUWFJFHSA-N 354.498 2.467 30 50 FEEA C=CCN1C[C@@H](C(=O)N2CCc3onc(-c4ccccc4F)c3C2)CC1=O 12315928 QQLPHYYRHPZESY-ZDUSSCGKSA-N 369.396 2.400 30 50 FEEA C=CCn1c(SCC(=O)Nc2nncs2)nnc1-c1ccccn1 6699590 IBSYMRMUSFBEMT-UHFFFAOYSA-N 359.440 2.108 30 50 FEEA Cc1cccc(CN2CCN(c3nc(C)ccc3C#N)C[C@@H]2CCO)n1 72476275 UNUBIHHNYKJPFT-IBGZPJMESA-N 351.454 2.038 30 50 FEEA C[C@](C#N)(CCc1ccccc1)NC(=O)[C@@H]1CS[C@]2(C)CCC(=O)N12 245987060 HRDOTFVEJSQNFJ-KFKAGJAMSA-N 357.479 2.472 30 50 FEEA CCn1nc(C)cc1C(=O)N1CCCN(Cc2cc(C#N)n(C)c2C)CC1 1772819339 JTGJKLCFFKBJSB-UHFFFAOYSA-N 368.485 2.078 30 50 FEEA C=CCN(C(=O)c1cc(-c2ccc(C)s2)n[nH]1)[C@@H]1CCS(=O)(=O)C1 67695840 IUZVTFYALKUGBZ-GFCCVEGCSA-N 365.480 2.262 30 50 FEEA COC(=O)c1cc(C#N)c(N(C)Cc2nc(-c3ccccn3)no2)nc1C 77504682 BPNPWDJFURQFKM-UHFFFAOYSA-N 364.365 2.130 30 50 FEEA CN1CC[C@H](N(C)CCC(=O)N2CCC(C#N)(c3ccccc3)CC2)C1 426477193 JQGRTPKUFIJVMV-IBGZPJMESA-N 354.498 2.096 30 50 FEEA COc1cc(C(=O)N2C[C@@H]3CCC[C@]3(c3nnc(C)o3)C2)ccc1C#N 952851735 ULWBGUQOJQIHLK-KXBFYZLASA-N 352.394 2.452 30 50 FEEA CC#CC(=O)NCc1ccncc1O[C@H]1CCN(C(=O)OC(C)(C)C)C1 887346609 JXLAOHPURXVURF-HNNXBMFYSA-N 359.426 2.109 30 50 FEEA COc1ccc(OC)c(/C=N/N2C(=O)[C@H]3[C@H](C2=O)[C@H]2C=C[C@H]3C23CC3)c1 105209523 FMCNYTQYSYLTNI-JSWPFNFMSA-N 352.390 2.235 30 50 FEEA C[C@]1(F)CN(C(=O)[C@]23CCCC[C@@H]2C3)CCN(c2cnc(C#N)cn2)C1 1875405256 BEXJEHVGDXPPSP-ZMYBRWDISA-N 357.433 2.305 30 50 FEEA C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3C(=O)C[C@]2(C)[C@]1(O)C(=O)CO 118912527 PIDANAQULIKBQS-UXDCFRQJSA-N 372.461 2.012 30 50 FEEA Nc1ncncc1C/N=C(/O)[C@H]1CCO[C@@H]1c1cnn(-c2ccccc2)c1 328602351 BHAZYBLFRVNHNP-DLBZAZTESA-N 364.409 2.479 30 50 FEEA C[C@@H]1c2ccccc2O[C@@H]1C(=O)NS(=O)(=O)c1cccc(F)c1C#N 159976578 CPGVDWZUCGQURE-HWPZZCPQSA-N 360.366 2.067 30 50 FEEA COc1ccc(/C=N/N2C(=O)[C@@H]3[C@H]4C=C[C@@H]([C@@H]5C[C@H]45)[C@H]3C2=O)cc1OC 239235690 WMVSNTSUKSHDGJ-HBRAGZAPSA-N 352.390 2.091 30 50 FEEA N#Cc1ccc(NC(=O)CCCN2CCCN(c3ncccn3)CC2)cc1 244774096 PNWKKHZMENLUKS-UHFFFAOYSA-N 364.453 2.279 30 50 FEEA N#Cc1ccc(C(F)(F)F)nc1N1CC(N2CCC(CCO)CC2)C1 2325807889 CJSMOVYIIKEIJJ-UHFFFAOYSA-N 354.376 2.255 30 50 FEEA C=CCN(C)C(=O)[C@H]1[C@@H]2C=C[C@@]3(CN(Cc4ccc(C)c(C)c4)C(=O)[C@@H]13)O2 77423803 SOPFNTKEHBCJOT-VWNVYAMZSA-N 366.461 2.230 30 50 FEEA COc1ccc([C@@H]2CN(C(=O)c3ccccc3C#N)C[C@H]2NC(C)=O)cc1 95509291 WRMCVZJDQHLVEC-VQTJNVASSA-N 363.417 2.311 30 50 FEEA CCn1cc(CN(C)CCNc2cc([C@H]3CCOC3)ncn2)cc1C#N 299793888 JENWAGVBJYJNAO-INIZCTEOSA-N 354.458 2.217 30 50 FEEA O=C1Nc2ccccc2/C1=N\N=C1/SCC(=O)N1c1ccc(O)cc1 5031418 DCDDSCNDXMRUKN-JZJYNLBNSA-N 352.375 2.184 30 50 FEEA C=C(C)CN(CC)C(=O)C[C@@H]1C(=O)NCCN1Cc1ccccc1OCC 15077966 IJBRMCSGLNTOJH-GOSISDBHSA-N 373.497 2.200 30 50 FEEA Cn1c(Cn2ccnc2)nnc1[C@H]1CCCN(Cc2cccc(C#N)c2)C1 95378810 FSOHKIPFDRHGLG-SFHVURJKSA-N 361.453 2.311 30 50 FEEA N#Cc1ncccc1-c1cccc(C(=O)NC[C@@H]2CC(=O)N(C3CC3)C2)c1 299798653 SQJXCVLRQTUBOP-AWEZNQCLSA-N 360.417 2.361 30 50 FEEA Cc1cc(N2CCC[C@H](NC(=O)c3ncc(C#N)cc3Cl)C2)n(C)n1 333549185 POKDTXREGCPUCK-ZDUSSCGKSA-N 358.833 2.047 30 50 FEEA Cc1ncc(CSc2nc(-c3ccccc3)c(C#N)c(=O)[nH]2)c(N)n1 9186933 VWVVENANGXBTEV-UHFFFAOYSA-N 350.407 2.282 30 50 FEEA CNC(=O)CCN(C)Cc1cccc(C(=O)Nc2cccc(C#N)c2)c1 65370770 FTXDLLKCJSTSIB-UHFFFAOYSA-N 350.422 2.378 30 50 FEEA N#CCCN(Cc1ccccc1)[C@H](CO)CC(=O)NCc1ccccc1 22017406 KOTMNWJINZJIRO-FQEVSTJZSA-N 351.450 2.470 30 50 FEEA CC(C)[C@@](C)(C#N)NC(=O)CN1CCN(c2ccc(C#N)cc2Cl)CC1 331290776 KCGFHYSYLPIERM-LJQANCHMSA-N 373.888 2.388 30 50 FEEA CN1CCc2ccc(N[C@@H]3CCN(c4sccc4C#N)C3=O)cc2C1=O 150810176 MKEWYSNBHGKJLL-MRXNPFEDSA-N 366.446 2.465 30 50 FEEA N#Cc1ccc(O[C@H]2COCC[C@@H]2NC(=O)CCc2ccccn2)cc1 1565525937 HONYVNPLJOVNIG-OALUTQOASA-N 351.406 2.239 30 50 FEEA C#CCCC1(CCNC(=O)c2ccc3c(c2)CCCN3S(C)(=O)=O)N=N1 2325886793 JHFKSUUXCXFUKO-UHFFFAOYSA-N 374.466 2.094 30 50 FEEA COc1cccc(/C=N/N2C(=O)[C@H]3[C@H]4C=C[C@@H]([C@H]5C[C@H]54)[C@H]3C2=O)c1OC 245227045 XMHDEEIHFNLZDA-IHUMRSMXSA-N 352.390 2.091 30 50 FEEA N#CCc1ccc(NC(=O)Cn2c(Cc3ccc(F)cc3)noc2=O)cc1 1875318448 QHFGNJNIEKQTPM-UHFFFAOYSA-N 366.352 2.271 30 50 FEEA COc1nccc(N2CCN(Cc3cccs3)[C@@H](CCO)C2)c1C#N 107014959 DCUKTXBPJOALTG-AWEZNQCLSA-N 358.467 2.097 30 50 FEEA Cc1ccc(S(=O)(=O)OC[C@H](C)N2C(=O)c3ccccc3C2=O)cc1 34068084 NQQWBOYKFRRXER-ZDUSSCGKSA-N 359.403 2.385 30 50 FEEA CNC(=O)[C@H](NC(=O)c1ccc(C#CC(C)(C)O)cc1)c1ccccc1 223211046 VRQKQWSAEOCGNV-GOSISDBHSA-N 350.418 2.026 30 50 FEEA CN1CCN(C(O)=Nc2cnc3c(c2)CCCC3)C[C@H]1c1nccn1C 330339710 WZJCCNWQKASGBF-KRWDZBQOSA-N 354.458 2.228 30 50 FEEA COCC[C@@H]1COCCN1C(=O)c1cccc(C#N)c1Br 331339847 RXGGIQURQJJEHY-GFCCVEGCSA-N 353.216 2.198 30 50 FEEA COc1cc(C#N)ccc1OC[C@H]1CCCN(C(=O)Cn2ccnc2)C1 2100482617 MAHOASDABPAIPO-INIZCTEOSA-N 354.410 2.081 30 50 FEEA Cc1c(C#N)c(N2CCC(N3CCCS3(=O)=O)CC2)nc2ccccc12 334115498 GTYZQGPBQMVVFO-UHFFFAOYSA-N 370.478 2.419 30 50 FEEA Cc1cc(C)c(C#N)c(-c2ccc(C(=O)NCCc3ncnn3C)cc2)n1 426574779 RBDYWEDAJXXGMB-UHFFFAOYSA-N 360.421 2.338 30 50 FEEA C[C@@H](C(=O)O)N1CC2(CCC1=O)CCN(Cc1ccccc1C#N)CC2 91847260 PPSXHWODTYVXDZ-HNNXBMFYSA-N 355.438 2.236 30 50 FEEA Cc1c(CN(C)CCNc2cc([C@@H]3CCOC3)ncn2)cc(C#N)n1C 299796618 NHBMODHSPHSBRX-OAHLLOKOSA-N 354.458 2.043 30 50 FEEA C=CCN1CC[C@]2(CCC1=O)CN(C1Cc3ccccc3C1)CCN2C 107648725 NYPNDSWFAKXPMW-JOCHJYFZSA-N 353.510 2.339 30 50 FEEA Cc1nccn1CC1CCN(C(=O)c2ccc(C#CC(C)(C)O)o2)CC1 223233639 JITRXVFUPWXDBH-UHFFFAOYSA-N 355.438 2.459 30 50 FEEA N#Cc1ccnc(-c2ccc(C(=O)NCCN3CCCC[C@@H]3CO)cc2)c1 426485777 PJNAARQJXNYZBK-LJQANCHMSA-N 364.449 2.197 30 50 FEEA Cc1nsc(N2CCC[C@@H](c3n[nH]cc3CN3CCOCC3)C2)c1C#N 377157988 NHXNZKGUEBSMKY-CQSZACIVSA-N 372.498 2.263 30 50 FEEA O=C1C(Br)=C[C@@H]2[C@@H]1[C@H]1C=C[C@@]2(Br)C12OCCO2 238850829 CWLJXBQYHGTEDC-VXPPSSQKSA-N 362.017 2.157 30 50 FEEA C#CCCC1(CCC(=O)N2C[C@@H](C#N)[C@]3(C2)C(=O)Nc2ccccc23)N=N1 1875368905 DRNAAQMFHMHWAZ-VLIAUNLRSA-N 361.405 2.214 30 50 FEEA C#CCCC1(CCNC(=O)[C@@H]2CC(=O)N(Cc3ccc(OC)cc3)C2)N=N1 2325891004 LJGYPWXZWFWPDH-MRXNPFEDSA-N 368.437 2.126 30 50 FEEA COc1ccc(C=C[C@@H]2C(C#N)(C#N)C(OC)(OC)C2(OC)OC)cc1 1857795374 IRCJBAHQWUFZST-MRXNPFEDSA-N 358.394 2.350 30 50 FEEA COc1ccc(/C=N/N2C(=O)[C@H]3[C@H](C2=O)[C@H]2C=C[C@H]3C23CC3)c(OC)c1 105209592 USHYQJVTSVUMHD-JSWPFNFMSA-N 352.390 2.235 30 50 FEEA C=CCSc1nc2c(c(=O)[nH]1)[C@H](c1ccc([N+](=O)[O-])cc1)CC(=O)N2 111970988 RKJACPKJEUQZCX-NSHDSACASA-N 358.379 2.430 30 50 FEEA C=CCNc1nc(N)nc2c1CCN(C(=O)c1cc(F)ccc1F)CC2 72476347 JUCPDUPPGGTQMG-UHFFFAOYSA-N 359.380 2.176 30 50 FEEA N#CC1(c2ccccc2)CCN(C(=O)NCCCN2CCC[C@@H](O)C2)CC1 426690255 HQUMQLNUPJYYNL-LJQANCHMSA-N 370.497 2.100 30 50 FEEA C=CC(=O)N1CCC[C@H](C(=O)NC2CCN(c3ccccc3C#N)CC2)C1 1875370756 BZDFBUJAWMLURT-KRWDZBQOSA-N 366.465 2.068 30 50 FEEA N#Cc1ncc(Br)cc1N[C@@H]1C[C@@H](Cn2ccnc2)C[C@H]1O 1875398092 ARJRISSWQNNKRD-WDBKCZKBSA-N 362.231 2.164 30 50 FEEA CCc1nn(C)cc1NC(=O)N1CCN(Cc2ccc(C#N)cc2)CC1 271588848 UTALSJWKNZJQRQ-UHFFFAOYSA-N 352.442 2.204 30 50 FEEA N#Cc1ccc(OC[C@H](O)CN2CCN(c3ccccc3F)CC2)cc1 20218629 PXTOUAJBYNFTGD-QGZVFWFLSA-N 355.413 2.259 30 50 FEEA N#Cc1ccc(Sc2nc(N3CCCC3)nc(N3CCCC3)n2)nc1 1875391143 CDRARGZIECWFJK-UHFFFAOYSA-N 353.455 2.490 30 50 FEEA CO[C@@]12CC[C@@H](Oc3ccccn3)C[C@@H]1N(c1nccnc1C#N)CC2 426530761 HKCAUFSMGASTTH-SIXWZSSISA-N 351.410 2.339 30 50 FEEA CN1C(=O)COc2ccc(NS(=O)(=O)c3ccc(CCC#N)cc3)cc21 1344515938 FTKVEUKFEJUUMH-UHFFFAOYSA-N 371.418 2.299 30 50 FEEA C=CCS(=O)(=O)N1CC[C@@]2(CCCN(Cc3cccc(C)c3)C2=O)C1 12073755 KLLNNBYBVLNDDQ-IBGZPJMESA-N 362.495 2.325 30 50 FEEA CC(C)(C)c1ncc(I)c(N2CCO[C@@H](C#N)C2)n1 2325780500 MIHYFKXPSGYNRY-VIFPVBQESA-N 372.210 2.107 30 50 FEEA C#CCCC1(CCC(=O)N[C@H]2CC(=O)N(CCOc3ccccc3)C2)N=N1 2325892670 WGXBWJCOKMZTIW-INIZCTEOSA-N 368.437 2.138 30 50 FEEA Cn1nccc1C/N=C(/O)NC[C@@H]1C[C@H](F)CN1Cc1cccs1 328631535 KOODADMEMYAMLH-JSGCOSHPSA-N 351.451 2.098 30 50 FEEA N#Cc1ccc(O[C@@H]2COCC[C@H]2NC(=O)CCc2ccncc2)cc1 219891504 ACEUGTJMECOSRO-RTBURBONSA-N 351.406 2.239 30 50 FEEA N#C[C@H]1CN(S(=O)(=O)CC2CC(F)(F)C2)CCN1Cc1ccccc1 296558280 CHPYOZLQWFJULO-INIZCTEOSA-N 369.437 2.071 30 50 FEEA C=CCOc1ccc(/C=c2\sc3nc(-c4ccncc4)nn3c2=O)cc1 12343886 YCAWUAWWGVBKTC-VBKFSLOCSA-N 362.414 2.326 30 50 FEEA CCOc1ccccc1NC(=O)Cn1c(C)cc(COC)c(C#N)c1=O 810882 OQIFJUPIQCRZEV-UHFFFAOYSA-N 355.394 2.212 30 50 FEEA C=CCc1ccccc1OC[C@@H](O)CNC(=O)c1ccccc1C(=O)O 2197750 YKYKIKZMWOUNDG-HNNXBMFYSA-N 355.390 2.283 30 50 FEEA N#Cc1ccc(C(=O)N2CC[C@@H](Oc3cccnc3N3CCCC3)C2)nc1 328645356 ZPGUUXICGBGFKG-MRXNPFEDSA-N 363.421 2.242 30 50 FEEA CO[C@H](C)c1nsc(N2C[C@H](C#N)[C@]3(C2)C(=O)Nc2ccccc23)n1 367164245 GVRVLFBTRZZBLC-RLFDGXBXSA-N 355.423 2.095 30 50 FEEA N#Cc1ccc(O[C@H]2CCN(C[C@H]3CN(c4ccccc4)C(=O)O3)C2)nc1 292156200 KNTHFQMIPCJQBO-ROUUACIJSA-N 364.405 2.432 30 50 FEEA Cc1nc(C(=O)N(C)C)nc(N2CC[C@@H](NC3CCC(C#N)CC3)C2)c1C 1875400181 SUIJSUUCEMJLTH-OFLPRAFFSA-N 370.501 2.046 30 50 FEEA CCOc1nc(NC(=O)Cc2cc(OC)ccc2OC)cc(N)c1C#N 14959960 KQMPRSZTUSSXND-UHFFFAOYSA-N 356.382 2.133 30 50 FEEA in-vitro COc1cc(C#N)ccc1CN(Cc1cn2c(n1)CCCC2)S(C)(=O)=O 328644864 ZMCYODRQGCRSPU-UHFFFAOYSA-N 374.466 2.061 30 50 FEEA CO[C@](C)(C(=O)N1CCC(n2cnc(C#N)n2)CC1)c1ccccc1F 369280972 AAEAPEYENNFOOC-SFHVURJKSA-N 357.389 2.014 30 50 FEEA C#CC(C)(C)C(=O)N[C@@H]1CCN(C(=O)c2cncc(NCC)c2)C[C@H]1C 2325825058 BIYKMTMSLRSXAI-RHSMWYFYSA-N 356.470 2.140 30 50 FEEA O=C(c1cnn2c1C[C@@H](C/N=C(/O)c1cccnc1)CC2)N1CCCCC1 328605266 MYMXCPLJBIRYMU-HNNXBMFYSA-N 367.453 2.471 30 50 FEEA CCn1cc(CN2CCN(Cc3cccc(OC)c3)C(=O)C2)cc1C#N 72145452 NNCSZESAGMZUSH-UHFFFAOYSA-N 352.438 2.233 30 50 FEEA CCOCCN1CCN(C(=O)c2cccc(-c3ncccc3C#N)c2)CC1 426436727 QVRUKMDPWCJVLL-UHFFFAOYSA-N 364.449 2.415 30 50 FEEA C=CCN1CCN(C(=O)c2cccc(-c3ccc(C(N)=O)s3)c2)CC1 426389566 DBZSASZAIXPAGO-UHFFFAOYSA-N 355.463 2.458 30 50 FEEA Cc1nc(CCNC(=O)c2ccc(C#CC(C)(C)O)o2)nc2c1CCCC2 952971599 KOVNIAALIUFBPC-UHFFFAOYSA-N 367.449 2.352 30 50 FEEA CN(C)[C@H](CNC(=O)N1CCO[C@@H](C#N)C1)c1cccc(C(F)(F)F)c1 187468270 QYZNUZCFMQBMMP-LSDHHAIUSA-N 370.375 2.242 30 50 FEEA CC1=C(C)/C(=N\S(=O)(=O)c2ccc(C)cc2)C=C(N2CCOCC2)C1=O 100999390 WWPUMLSCSNCDQA-JZJYNLBNSA-N 374.462 2.260 30 50 FEEA C=CCC(=O)N1CCc2nc(CC)nc(NCC[C@@H]3CCOC3)c2CC1 72438086 GLXSNLCMBNZCJD-OAHLLOKOSA-N 358.486 2.381 30 50 FEEA C#CCOc1cc(C(=O)N2CCN(C)C(=O)[C@H]2CCCC)ccc1OC 952983147 OCAKCXZJOCDAME-MRXNPFEDSA-N 358.438 2.180 30 50 FEEA CC1(C)OB(c2ccc(N3C(=O)[C@H]4[C@@H]5C=C[C@@H](C5)[C@@H]4C3=O)cc2)OC1(C)C 169979864 RMWHXARBVKENMV-RMHZUWNSSA-N 365.238 2.297 30 50 FEEA C=CCOc1ccc(/C=c2/sc3nc(-c4cccnc4)nn3c2=O)cc1 1856583 VEWNQXKLOXYQGX-LFIBNONCSA-N 362.414 2.326 30 50 FEEA Cn1ccnc1[C@H]1OCC[C@@H]1/N=C(/O)N1CC2(CCC2)[C@@H]1[C@@H]1CCCO1 329740132 VFYUBTMWKLUZIG-VGWMRTNUSA-N 360.458 2.198 30 50 FEEA N#Cc1ccc(N2C[C@@H]3[C@H](CNC(=O)c4ccccc4)[C@H]4CC[C@]3(C2)O4)nc1 1857712521 CNBATJKKAFDUHF-JZJXAQOMSA-N 374.444 2.367 30 50 FEEA COc1cc(/C=N/N2CCN(c3ccccn3)CC2)cc(OC)c1OC 100573114 JAQZXCXJZXIVNV-KGENOOAVSA-N 356.426 2.264 30 50 FEEA Cc1noc(C/N=C(/O)N(C)C[C@@H]2C[C@H](F)CN2Cc2cccs2)n1 328626854 FNKFSWWXIFIUJW-STQMWFEESA-N 367.450 2.398 30 50 FEEA O=C1[C@H](/N=C(/O)N2CCCCO2)CCN1c1cccc(Br)c1 328715449 SULRHIBZWZMCDT-CYBMUJFWSA-N 368.231 2.496 30 50 FEEA CN(C)c1ccc(C(=O)N2CCN(c3ccc(C#N)cn3)CC2)c(F)c1 179199632 CGMYUJXCNHFAGY-UHFFFAOYSA-N 353.401 2.121 30 50 FEEA CCn1nc(C)c(NC(=O)CN2CCc3c(cnc(C)c3C#N)C2)c1C 65529608 PRAKSKBRJCJGDM-UHFFFAOYSA-N 352.442 2.092 30 50 FEEA COc1cccc(CC(=O)N[C@H]2COCC[C@@H]2Oc2ccc(C#N)cc2)c1 1565513561 PXFWBHXDIMRVTG-PMACEKPBSA-N 366.417 2.462 30 50 FEEA C=CCNC(=O)CN(c1ccc(Cl)c(C(F)(F)F)c1)S(C)(=O)=O 5662201 WSEAZEQHDCBKQM-UHFFFAOYSA-N 370.780 2.427 30 50 FEEA C=CCn1nc(C)c(C(=O)N2CCC[C@@]3(CCc4cnc(N)nc43)C2)c1C 1704344355 LREJXYWNRBGESM-HXUWFJFHSA-N 366.469 2.178 30 50 FEEA COC[C@@](C)(C#N)NC(=O)c1csc(I)c1 137178504 JQMCSDDBEBUCQM-SNVBAGLBSA-N 350.181 2.011 30 50 FEEA CCc1cc(C(=O)N2CCN(c3c(C#N)cnc4ccccc34)CC2)[nH]n1 129337607 JAZLQFVVKIZIIC-UHFFFAOYSA-N 360.421 2.354 30 50 FEEA CCCCCCCn1c(-n2nc(C)cc2C)nc2c1c(=O)[nH]c(=O)n2C 97976917 BRTIWFVRZVSFRH-UHFFFAOYSA-N 358.446 2.196 30 50 FEEA CNC(=O)/C(=N/OC)c1ccccc1COc1cc(C(=O)O)ccc1C 585091575 RKECPZYSBKSRJM-HEHNFIMWSA-N 356.378 2.369 30 50 FEEA C[C@]1(F)CN(C(=O)[C@]23CCCC[C@H]2C3)CCN(c2cnc(C#N)cn2)C1 1875405254 BEXJEHVGDXPPSP-KYNGSXCRSA-N 357.433 2.305 30 50 FEEA C#CCCC1(CCC(=O)N[C@@H]2CCc3nnc(C(F)(F)F)n3C2)N=N1 2325900748 IBIBLEJRAWQJJK-SNVBAGLBSA-N 354.336 2.084 30 50 FEEA CC(C)n1cc([C@]2(O)CCCN(CCOc3ccc(C#N)cc3)C2)nn1 284528233 FYVQQCVTJUVESB-IBGZPJMESA-N 355.442 2.093 30 50 FEEA CCn1c(Cn2ccnc2)nnc1C1CCN(c2cc(C#N)ccn2)CC1 92028126 ZPTOFHONYZKITO-UHFFFAOYSA-N 362.441 2.193 30 50 FEEA Cc1nc[nH]c1CN1C[C@@H]2CC[C@H](C1)N(Cc1ccc(C#CCO)s1)C2 95379596 RJOWFCKLZFYQJM-DLBZAZTESA-N 370.522 2.220 30 50 FEEA CC1(CCC(=O)N2C[C@H]3[C@@H](N=c4ccc(C#N)n[nH]4)CCC[C@H]3C2)CC1 1875408492 XZQSFNVKXOAATM-UAGQMJEPSA-N 353.470 2.389 30 50 FEEA CC(C)(O)C#Cc1ccc(C(=O)N2CCN(Cc3ccc(F)cc3)CC2)o1 952962220 BALALTPUYOOQQW-UHFFFAOYSA-N 370.424 2.499 30 50 FEEA COc1ccc(OC)c([C@@H]2C(C(C)=O)=C(O)C(=O)N2C[C@H]2CCCO2)c1 860921 RQOXTQMRPISMPA-CXAGYDPISA-N 361.394 2.167 30 50 FEEA Cc1cc(Br)ccc1OCC(=O)O/N=C(\N)c1ccncc1 5068987 SAAJTVWCMKBMHW-UHFFFAOYSA-N 364.199 2.395 30 50 FEEA CCn1cc(C(=O)N2CCCN(c3nc(C)cc(C)c3C#N)CC2)cn1 1772812521 LBGPMOPZGRXQRG-UHFFFAOYSA-N 352.442 2.139 30 50 FEEA CCOC(=O)C1=C(N)Oc2ccc(Cl)cc2[C@@H]1[C@H](C#N)C(=O)OCC 1030609 DXVKFBGVVRSOLI-WCQYABFASA-N 364.785 2.252 30 50 FEEA in-vitro N#Cc1ccc(OC[C@@H](O)CN2CCN(c3ccc(F)cc3)CC2)cc1 20405857 DFLPYMOJQOHVCB-IBGZPJMESA-N 355.413 2.259 30 50 FEEA C[C@@H]1CN(c2ccc(C#N)cc2)C(=O)CN1C(=O)c1ncc(F)cc1F 82146890 CMGHQXPSBLRZEY-LLVKDONJSA-N 356.332 2.109 30 50 FEEA CN(Cc1nccc(N)n1)[C@@H]1CCCN(c2cccc(F)c2C#N)CC1 328630301 JEXDBZGTHBEEKJ-CQSZACIVSA-N 354.433 2.560 30 50 FEEA COC(=O)c1cc(C#N)c(-c2ccc(C(=O)N[C@H]3CCOC3)cc2)nc1C 534592779 PQIBWEWJXWTVAW-INIZCTEOSA-N 365.389 2.234 30 50 FEEA C=C(C)CNC(=O)C[C@@H]1C(=O)NCCN1Cc1ccccc1C(F)(F)F 55132832 XBWPODKPLGSLHX-OAHLLOKOSA-N 369.387 2.088 30 50 FEEA Cc1ccc(O[C@H](C)C(=O)N2CCOC[C@@H]2C#N)c(Br)c1 173124824 LKRHNYHKTGTWCM-NEPJUHHUSA-N 353.216 2.276 30 50 FEEA COc1nccc(N2C[C@@H]3CC[C@H](C2)N(Cc2cscn2)C3=O)c1C#N 95498583 BHNZFMSGMDYSJX-GXTWGEPZSA-N 369.450 2.046 30 50 FEEA O=C(C#CC1CC1)N1CCCC[C@H]1c1n[nH]cc1I 1875296429 WYMPHYIMFROESV-LBPRGKRZSA-N 369.206 2.481 30 50 FEEA COc1ccc(CN2CC(=O)C(c3nc4ccccc4[nH]3)=C2N)c(OC)c1 5020318 ISJAHFCUYZKJJL-UHFFFAOYSA-N 364.405 2.292 30 50 FEEA N#Cc1ccc(S(=O)(=O)N2C[C@H](c3ccsc3)[C@@H](CO)C2)c(F)c1 328610144 GPBKQGMAYJMDIF-ZIAGYGMSSA-N 366.439 2.155 30 50 FEEA CN1CCN(Cc2ccccc2C#N)C[C@]12CCC(=O)N(CC1CC1)CC2 230200761 CIMATBLYXSXDEH-JOCHJYFZSA-N 366.509 2.467 30 50 FEEA N#Cc1ccc(-c2nnc3n2C[C@@]2(CCN(c4nccs4)C2)OC3)cc1 1772707362 YNHFENNFOHMPRX-SFHVURJKSA-N 364.434 2.453 30 50 FEEA CCO[C@@H](C)c1nc(CSc2nc(=O)n3ncc(C#N)c3[nH]2)cs1 2325863222 AQZIJQJERQXJQG-QMMMGPOBSA-N 362.440 2.136 30 50 FEEA C#CCN1CC[C@@H](N2CCN(C/C=C/c3ccccc3)CC2)CCC1=O 20601233 LJLOOQRTEXWNKM-JLXBBBJOSA-N 351.494 2.332 30 50 FEEA N#Cc1nccnc1N1CCN(Cc2c[nH]nc2C2CCCCC2)CC1 67641881 RQKIZIPCSABWBR-UHFFFAOYSA-N 351.458 2.441 30 50 FEEA Cc1ncc(/C(O)=N/[C@@H]2CCC(=O)N(C3CC3)[C@H]2c2cncn2C)c(C)n1 329212370 ZVVJJUBOGFINBV-CRAIPNDOSA-N 368.441 2.026 30 50 FEEA Cn1cnnc1C[C@]1(O)CCCN(Cc2ccccc2C(C)(C)C#N)C1 888077729 RDPWCKHKWRPLJN-HXUWFJFHSA-N 353.470 2.186 30 50 FEEA C=C(Cl)Cn1c(=O)c(CNC[C@@H](C)O)cc2cc(OC)c(OC)cc21 12039063 VFQOIVMYPJLBJM-GFCCVEGCSA-N 366.845 2.242 30 50 FEEA Cc1c(CNC(=O)C(=O)N2CCC[C@](C)(C#N)C2)noc1-c1ccccc1 2325818014 PNLRAOIOVWXNND-HXUWFJFHSA-N 366.421 2.419 30 50 FEEA N#Cc1ncc(C(=O)N[C@@H]2CCN(C(=O)[C@@H](F)c3ccccc3)C2)s1 2325871241 DHPBECKEVFSWFH-DOMZBBRYSA-N 358.398 2.056 30 50 FEEA C#CCCC1(CCC(=O)N2CCN(C[C@@H](O)c3ccccc3)CC2)N=N1 952883637 YJWQHYYGHPYWFK-GOSISDBHSA-N 354.454 2.220 30 50 FEEA CC(C)(CC1CCOCC1)C(=O)NS(=O)(=O)Cc1cccc(C#N)c1 119004652 QUKDNDQOVYBHSF-UHFFFAOYSA-N 364.467 2.347 30 50 FEEA C[C@]12CCC[C@]3(CO3)[C@@H]1C[C@H]1[C@@H](C2)OC(=O)[C@H]1CN1CCCC[C@@H]1CO 252695144 VQSWXEJDECKEJC-CYSZZNTHSA-N 363.498 2.360 30 50 FEEA biogenic COc1ccc(C#N)cc1NC(=O)N1CCN(C2CCN(C)CC2)[C@@H](C)C1 408081091 URBDAAHOBVFERA-HNNXBMFYSA-N 371.485 2.199 30 50 FEEA N#Cc1c(N)nc2c(c1-c1ccc3c(c1)OCO3)c(=O)nc1sccn12 19933106 JIAMITKRNRPRFN-UHFFFAOYSA-N 363.358 2.154 30 50 FEEA CCOCC(=O)N[C@@H]1CC[C@@]2(OC)CCN(Cc3cccc(C#N)c3)[C@H]2C1 534656014 GBFUUALCQKONMF-SVFBPWRDSA-N 371.481 2.223 30 50 FEEA C=CCn1nc(C(=O)N2CCN(C)CC2)c2c1CC[C@@H](N(C)CCCC)C2 14530448 IXLWCVGGYMBAEW-QGZVFWFLSA-N 373.545 2.046 30 50 FEEA C=CCn1c(SCC(N)=O)nnc1[C@H](NC(=O)c1ccccc1)C(C)C 16626504 BNBPLSNEUJTLFF-OAHLLOKOSA-N 373.482 2.169 30 50 FEEA O=S1(=O)CCCN1[C@H]1CCCN(CC#Cc2cccc(Cl)c2)C1 366127053 VKUWGOZUYHHKQN-KRWDZBQOSA-N 352.887 2.191 30 50 FEEA CCc1ccc(S(=O)(=O)N/N=C2/C(=O)N(CC)c3ccccc32)cc1 100576469 PCWXHEUYLLRQIC-HTXNQAPBSA-N 357.435 2.298 30 50 FEEA O=C([C@@H]1CC12CCN(C/C(O)=N/C[C@@H]1CCCO1)CC2)N1CCCCC1 329115895 NBEBWFWGOFQCQN-IRXDYDNUSA-N 363.502 2.237 30 50 FEEA COc1nccc(N[C@@H]2CCOC[C@H]2OCc2c(C)noc2C)c1C#N 218727668 JCSJQIGKWDTTJI-IAGOWNOFSA-N 358.398 2.353 30 50 FEEA C[C@H]1CCc2c(sc(NC(=O)CN3CCN4CCC[C@H]4C3)c2C#N)C1 239025451 BQXPOWKWSSMFGL-KBPBESRZSA-N 358.511 2.463 30 50 FEEA Cc1cc(C)c(C#N)c(-c2ccc(C(=O)N[C@@H]3C[C@@H](CO)N(C)C3)cc2)n1 426525926 APUMSFAIBZHOAR-MSOLQXFVSA-N 364.449 2.032 30 50 FEEA CCC[C@@H](C)CC(=O)NCCN1CCN(c2nc(C)ccc2C#N)CC1 2325867323 RKLAQHCPFQYERV-MRXNPFEDSA-N 357.502 2.326 30 50 FEEA Oc1ccc(O)c2c1[C@H](O)[C@@H]1O[C@H]1[C@@]21Oc2cccc3c(O)ccc(c23)O1 2332919365 WPTGKUTUOFNZAS-VNTMZGSJSA-N 366.325 2.395 30 50 FEEA N#Cc1cnc(N2CCC[C@@H]2c2nc(C(=O)NC3CC3)no2)c(Cl)c1 328618575 DXBARHWUJAVHFK-GFCCVEGCSA-N 358.789 2.223 30 50 FEEA N#Cc1cccc(CN2CCCn3nc(CCC(=O)NC4CC4)cc3C2)c1 91846189 CZIZWGUHJHZOOU-UHFFFAOYSA-N 363.465 2.372 30 50 FEEA COc1ccnc(NC2CCN(C(=O)/C=C/c3cccc(C#N)c3)CC2)n1 190747501 PFXOBPZZOYPTLW-AATRIKPKSA-N 363.421 2.473 30 50 FEEA Cc1nc(N2CCCN(C(=O)[C@@H]3CCCCN3C)CC2)c(C#N)c(C)c1C 1775981874 XUELEMYNNXZOTQ-IBGZPJMESA-N 369.513 2.402 30 50 FEEA Cc1cc(NS(=O)(=O)c2cccc(Br)c2C#N)n(C)n1 328594447 KTDFBOFBNMILQB-UHFFFAOYSA-N 355.217 2.164 30 50 FEEA CC(=O)N1C[C@@H](NC(=O)c2ccc(F)c(C#N)c2)CC[C@H]1C(F)(F)F 886066000 FBBHCCGBFSZTJD-JSGCOSHPSA-N 357.307 2.369 30 50 FEEA N#Cc1ccccc1S(=O)(=O)N[C@H]1CCOC[C@@H]1OCc1ccccc1 1565515307 PSZOAMKPGWQARZ-ROUUACIJSA-N 372.446 2.211 30 50 FEEA C#CC[C@H](NC(=O)NCCc1ccc(N2CCN(C)CC2)cc1)C1CC1 2325807946 MAOGKEYDAYGNQC-FQEVSTJZSA-N 354.498 2.082 30 50 FEEA C=CCn1c(=O)c2c(nc3n(-c4cccc(C)c4)c(C)c(C)n23)n(C)c1=O 4250752 NOEIMCMVJJWBJV-UHFFFAOYSA-N 363.421 2.250 30 50 FEEA C=CCNC(=O)c1cccc(S(=O)(=O)N2CCC[C@@H](OCCC)C2)c1 65796031 XAYKZSWKLFGNFY-MRXNPFEDSA-N 366.483 2.182 30 50 FEEA C=CCn1c(S)nc2cc(C(=O)N[C@@H]3CCC[C@H]3OC)ccc2c1=O 163429908 FYSRJDLVONNIDR-UKRRQHHQSA-N 359.451 2.169 30 50 FEEA N#Cc1cccc(C(=O)N2CC[C@@]34OC[C@@H](c5ccccc5)N3C(=O)C[C@@H]24)c1 1857728974 HZBCYJXTMMOLOW-JQVVWYNYSA-N 373.412 2.473 30 50 FEEA CCO[C@H](C)c1nc(CSc2nc(=O)n3ncc(C#N)c3[nH]2)cs1 2325863221 AQZIJQJERQXJQG-MRVPVSSYSA-N 362.440 2.136 30 50 FEEA CN(C[C@H]1CCc2nc(C(F)(F)F)cn2C1)C(=O)C1(C#N)CCOCC1 328621252 HPWVEZVLPCEMKT-GFCCVEGCSA-N 370.375 2.243 30 50 FEEA C=C(C)CNc1nc(COCC)nc2c1CCN(Cc1cnc[nH]1)CC2 72431536 PPQPCQFURMIWIN-UHFFFAOYSA-N 356.474 2.325 30 50 FEEA COCCCN1C[C@@]2(CCCN(c3ccnc(OC)c3C#N)C2)CCC1=O 72439929 YTIMBSKDMDJTJJ-FQEVSTJZSA-N 372.469 2.207 30 50 FEEA COc1ccc(/C=N/N2C(=O)[C@H]3[C@H]4C=C[C@H]([C@H]3C2=O)[C@@H]2C[C@@H]42)cc1OC 252428711 WMVSNTSUKSHDGJ-VVGPCITPSA-N 352.390 2.091 30 50 FEEA CCOc1ccc(-n2c(O)c(/C(C)=N/NC(N)=S)cnc2=S)cc1 5294980 UYQFZEZCVQEELM-GIJQJNRQSA-N 363.468 2.263 30 50 FEEA CC(=O)c1ccc(NC(=O)CSc2nc(N)c(C#N)cc2C#N)cc1 18240451 NVJJWRQCDSIXKD-UHFFFAOYSA-N 351.391 2.341 30 50 FEEA C[C@@H]1O[C@H](C)Cc2c(C(=O)N(CCC#N)Cc3cccnc3)nn(C)c21 1875301726 QUGXFLSBESJDOS-KGLIPLIRSA-N 353.426 2.393 30 50 FEEA N#Cc1ccc(NC(=O)CCN2CC(=O)N[C@H]3CCCC[C@H]32)cc1Cl 246742747 UZEUXEIGIKNGFI-JKSUJKDBSA-N 360.845 2.283 30 50 FEEA CC(=O)C1=C(O)C(=O)N(Cc2cccnc2)[C@@H]1c1ccc([N+](=O)[O-])cc1 4755938 PTVDMWWBFGWDPM-MRXNPFEDSA-N 353.334 2.474 30 50 FEEA N#Cc1cncc(N2CCC[C@]3(CCCC[C@@H]3NC(=O)[C@@H]3C[C@@H]3F)C2)n1 1875408511 YFIUIIQWNBHXKO-PASDCYSWSA-N 357.433 2.352 30 50 FEEA C/C(=N\OCc1ccc(S(=O)(=O)N(C)C)o1)c1ccc2c(c1)CCO2 222170304 GDILQFBAQPRCRJ-LDADJPATSA-N 364.423 2.406 30 50 FEEA N#Cc1cccnc1N1CCC(NC(=O)/C=C/c2cc(CO)cs2)CC1 1506418873 KOHFAJWEPNJFDM-ONEGZZNKSA-N 368.462 2.305 30 50 FEEA C=CCN1C[C@H](C(=O)N2CCC(CO)(CCc3ccccc3)CC2)CC1=O 19761555 NOSLAXWNIICXAI-LJQANCHMSA-N 370.493 2.255 30 50 FEEA N=C(N/N=C\c1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)o1)N[N+](=O)[O-] 23279543 MQTAMCIMQZJDTP-UUASQNMZSA-N 352.694 2.148 30 50 FEEA Cc1ccc(NC(=O)N2CCN(C[C@@H]3CCCN(C)C3)CC2)cc1C#N 95502709 VULZVOLKFALDKF-QGZVFWFLSA-N 355.486 2.358 30 50 FEEA CCc1nc(C)c(C(=O)N[C@H]2CCOC[C@@H]2Oc2ccc(C#N)cc2)o1 1565528088 VQDJAZVSCNJEIG-HOTGVXAUSA-N 355.394 2.383 30 50 FEEA C#CCN(Cc1ccco1)C(=O)[C@H]1CCC(=O)N(CCc2ccccn2)C1 12307045 PULPTDSCMFKNKD-KRWDZBQOSA-N 365.433 2.118 30 50 FEEA COc1ccc(C(=O)C2=C(O)C(=O)N(CCO)[C@H]2c2ccccc2F)cc1 17146610 OLIIKKMLTLHSEE-KRWDZBQOSA-N 371.364 2.405 30 50 FEEA CC(C)c1noc([C@@H](N/C(O)=N/CCn2cccn2)C2CCOCC2)n1 328637998 WGUBDQSBTOLCNB-AWEZNQCLSA-N 362.434 2.061 30 50 FEEA Cn1ncc2c(N3CCN(CC#Cc4ccc(Cl)cc4)CC3)ncnc21 176999336 QDFBGLNUQRCOFB-UHFFFAOYSA-N 366.856 2.190 30 50 FEEA N#Cc1cccc(N2CCC3(CC2)CN(C(=O)c2ccco2)CCO3)n1 952981683 NDQWGKFWBYTDBC-UHFFFAOYSA-N 352.394 2.058 30 50 FEEA CC(C)c1nc2n(n1)CCC[C@@H]2NS(=O)(=O)Cc1cccc(C#N)c1 157132598 RLJNVXJLYPVWNV-HNNXBMFYSA-N 359.455 2.228 30 50 FEEA CCC[C@@]1(C2CCNCC2)NC(=O)N(CCc2ccc(C#N)cc2)C1=O 67909788 WLPYENSMUCUABO-FQEVSTJZSA-N 354.454 2.191 30 50 FEEA N#Cc1cccnc1N1CCC(N2CCC[C@@H](C(=O)N3CCCC3)C2)CC1 71730438 LQUBFTKTVGVWIF-GOSISDBHSA-N 367.497 2.256 30 50 FEEA C#CCCC1(CCC(=O)NC[C@](O)(c2ncc(C)o2)C(F)(F)F)N=N1 1875368774 PAGVNKYBZAQWAL-AWEZNQCLSA-N 358.320 2.205 30 50 FEEA N#Cc1cccc(C(=O)N2CC[C@@]34O[C@@H](c5ccccc5)CN3C(=O)C[C@@H]24)c1 1857733533 NMRGERLUJJTRMA-KNKQGSTJSA-N 373.412 2.473 30 50 FEEA C#CCN1C(=O)[C@@](O)(CC(=O)c2cc(OC)ccc2OC)c2ccccc21 793331 JZCNRYLYFYXPFX-OAQYLSRUSA-N 365.385 2.144 30 50 FEEA N#Cc1n[nH]c(=N[C@@H]2CC[C@H](NC(=O)C3(F)CC3)c3ccccc32)s1 1875408164 PTSDWXFOMOGLPU-QWHCGFSZSA-N 357.414 2.438 30 50 FEEA COCc1noc(CN2CCC[C@@H](COc3ccc(C#N)cc3OC)C2)n1 1875248278 HSCBCABLDGTEBX-OAHLLOKOSA-N 372.425 2.387 30 50 FEEA C=CC(=O)N(CC)CC(=O)N1CCC(Oc2ccc(C#N)cc2F)CC1 908161212 FAXZERUNSMSZJR-UHFFFAOYSA-N 359.401 2.102 30 50 FEEA N#CC(CCC(=O)O)(CCC(=O)O)S(=O)(=O)c1ccc(Cl)cc1 3121864 LDBNAVPGDFJTLO-UHFFFAOYSA-N 359.787 2.106 30 50 FEEA C=CCn1nc(C(=O)O)c2c1CC[C@H](N(C)Cc1ccc3nonc3c1)C2 67654700 AAYZMCIFKPYRRQ-ZDUSSCGKSA-N 367.409 2.293 30 50 FEEA N#Cc1ncc(Br)cc1N[C@@H]1C[C@H](Cn2ccnc2)C[C@H]1O 1875398091 ARJRISSWQNNKRD-PSOPSSQASA-N 362.231 2.164 30 50 FEEA C#C[C@](O)(c1ccc(OCOC)cc1)[C@@H](O)c1ccc(OCOC)cc1 19909194 JDXDOJVMTZQQNP-PMACEKPBSA-N 358.390 2.206 30 50 FEEA COc1ccc(C(=O)O/N=C(\N)Cc2ccc([N+](=O)[O-])cc2)cc1OC 4539142 JPZWXZOJJMNYHT-UHFFFAOYSA-N 359.338 2.284 30 50 FEEA CN1CCc2[nH]c(=NCCCc3ccc4c(n3)NCCC4)c(C#N)cc2C1 2325784369 XVXIKNVVYCTSQM-UHFFFAOYSA-N 362.481 2.161 30 50 FEEA N#Cc1nn(-c2c(F)cccc2F)c(=O)n(Cc2ccc(Cl)cc2)c1=O 3105085 BELPJOGJGQJDNX-UHFFFAOYSA-N 374.734 2.246 30 50 FEEA Cn1cncc1/C(O)=N/Cc1ccccc1S(=O)(=O)N1CCCCC1 329413361 FIAZKQPOHSHTDN-UHFFFAOYSA-N 362.455 2.100 30 50 FEEA COCC(=O)N1C[C@H](CN=c2[nH]c3ccccc3c(C)c2C#N)C[C@H]1C 1875337199 QCOMHRSMMHLPRP-HIFRSBDPSA-N 352.438 2.132 30 50 FEEA CC(C)c1nn(C)cc1NC(=O)N1CCN(c2ccc(C#N)cn2)CC1 280649720 CACOPYZDYZECEU-UHFFFAOYSA-N 353.430 2.164 30 50 FEEA CC(C)N1C(=O)CO[C@H](C(=O)N2CCC(C#N)CC2)[C@H]1c1ccccc1 1529168133 XYKQSLYVEKPVJN-MOPGFXCFSA-N 355.438 2.126 30 50 FEEA Cc1ccc(C#N)c(N2CC[C@H](c3cc(O)nc(N4CCCC4)n3)C2)n1 864311265 GMIIGFPCZBVDHA-HNNXBMFYSA-N 350.426 2.351 30 50 FEEA C[C@@H]1O[C@H](C)Cc2c(C(=O)N(C)CCOc3ccccc3C#N)n[nH]c21 1875394458 JNJJVOYDBQULJT-OLZOCXBDSA-N 354.410 2.455 30 50 FEEA C[C@@H]1O[C@H](C)Cc2c1nn(C)c2C(=O)N(C)CCOc1cccc(C#N)c1 1857529267 DRZWHUJVRMDLIU-KGLIPLIRSA-N 368.437 2.465 30 50 FEEA CN(C)Cc1ccc(C(=O)N=c2ccn(-c3ccc(F)cc3C#N)[nH]2)cn1 2325856259 HTTOJLUDHBWBRC-UHFFFAOYSA-N 364.384 2.014 30 50 FEEA CC[C@@H]1CN(C)c2ccccc2CN1S(=O)(=O)c1ccc(C#N)nc1 157204222 FDXWLKGNQQABJW-MRXNPFEDSA-N 356.451 2.373 30 50 FEEA O=C1C(Br)=C[C@@H]2[C@H]1[C@H]1C=C[C@@]2(Br)C12OCCO2 238850830 CWLJXBQYHGTEDC-XGEHYKCOSA-N 362.017 2.157 30 50 FEEA Cc1cc(O)nc(-c2cccc(NC(=O)c3cn(CCCC#N)nn3)c2)n1 1875254245 JFGBFCASEOEWDH-UHFFFAOYSA-N 363.381 2.305 30 50 FEEA CC1(C)OB(c2ccc(S(=O)(=O)N3CCCCC3)cc2)OC1(C)C 169811037 HVHVUNFUBNABBQ-UHFFFAOYSA-N 351.277 2.160 30 50 FEEA in-vitro Cc1ccc([C@@H]2CSCCN2Cc2cc(O)n3ncc(C#N)c3n2)o1 2325771686 GGGBIXCLEGWGOY-AWEZNQCLSA-N 355.423 2.498 30 50 FEEA Cn1ccc(NCC/N=C(/O)c2cnc(Cc3ccc(F)cc3)s2)n1 328591736 CMXVOWKUCZXASH-UHFFFAOYSA-N 359.430 3.023 30 50 FEEA N#Cc1cccnc1N1CCC(NC(=O)c2cn3ccsc3n2)CC1 91550924 HSVOLCDUUHHKFP-UHFFFAOYSA-N 352.423 2.061 30 50 FEEA CCC(C#N)(CC)C(=O)NCCCCn1cc(-c2cncc(N)c2)nn1 1875353493 VBXHPTAAYNDSQB-UHFFFAOYSA-N 355.446 2.149 30 50 FEEA O=C(C1=C(O)C(=O)N(CCO)[C@H]1c1cccc([N+](=O)[O-])c1)c1ccccc1 16956640 YWTPTNWHXBIERO-INIZCTEOSA-N 368.345 2.165 30 50 FEEA O=C1N/C(=N/N=C/c2ccc(O)cc2)S[C@H]1Cc1ccccc1[N+](=O)[O-] 18209314 BHWOVSCSVYBXKV-ZNBBLSJYSA-N 370.390 2.465 30 50 FEEA N#Cc1cccnc1N1CCN(C(=O)C2(c3ccc(F)cc3)CC2)CC1 92003348 HAHGJYYNFBSTRI-UHFFFAOYSA-N 350.397 2.473 30 50 FEEA CN(CC(=O)N1CCCN(Cc2ccccc2C#N)CC1)C1CCCC1 1529181082 PUDOHNWUENPTTH-UHFFFAOYSA-N 354.498 2.467 30 50 FEEA C=CCn1nc(C(=O)O)c2c1CC[C@@H](N(C)Cc1c(C)nn(C)c1C)C2 67872360 QBVIXFGVQRMMOP-CQSZACIVSA-N 357.458 2.107 30 50 FEEA COc1ccc(/C=N/N2C(=O)[C@H]3[C@H]4C=C[C@H]([C@H]3C2=O)[C@@H]2C[C@@H]42)c(OC)c1 245226642 HCKZNPLHWXTKAE-MBTOKLNMSA-N 352.390 2.091 30 50 FEEA C=CCn1ncc(CN2CC[C@](Cc3ccccc3)(C(=O)O)[C@H](O)C2)c1C 1704326515 YXFWZVIZOPQZQJ-TZIWHRDSSA-N 369.465 2.258 30 50 FEEA Cc1nn(CC(=O)O)c(C)c1-c1cc(-c2ccc(O)cc2)c(C#N)c(N)n1 72146925 RZFVQOFJGVHMHA-UHFFFAOYSA-N 363.377 2.473 30 50 FEEA C=C(Br)CN(C)CCNC(=O)c1ccn2cc(C)nc2c1 2325868453 ZTKUVDPZGXCDRB-UHFFFAOYSA-N 351.248 2.213 30 50 FEEA C#CCCC1(CCC(=O)N2CCCC[C@H]2CCn2cc(C(=O)O)nn2)N=N1 2325901107 UKBJKSXLNJSDCX-AWEZNQCLSA-N 372.429 2.103 30 50 FEEA C[C@@H]1CCN(S(=O)(=O)Cc2cc(C#N)ccc2F)C[C@H]1n1ccnc1 329074543 BMBQIGMMMOZUJG-CXAGYDPISA-N 362.430 2.307 30 50 FEEA Cc1ccc(C#N)cc1OC[C@H](O)CN(C)Cc1ccc2c(c1)OCO2 1875379032 KLTFNTOPELBQSJ-QGZVFWFLSA-N 354.406 2.467 30 50 FEEA Cc1c(/C=N/c2nc3ccccc3c(=O)[nH]2)n(C)n(-c2ccccc2)c1=O 2546617 GBPOWEQHWWGCMA-CIAFOILYSA-N 359.389 2.472 30 50 FEEA C=CCOc1cc(N(CC)CC)ccc1C=C1C(=O)NC(=S)NC1=O 2091622 LTUGHAGPPSAMSO-UHFFFAOYSA-N 359.451 2.012 30 50 FEEA CN1C[C@H](N/C(O)=N/CC(C)(C)c2ccccc2Br)CC1=O 331327099 PEFHTKJZOMPAQW-LLVKDONJSA-N 368.275 2.461 30 50 FEEA N#CC1CCN(Cc2ccc(OCC(=O)NC[C@@H]3CCCO3)cc2)CC1 215482094 CVTIXQZYSWPPHL-IBGZPJMESA-N 357.454 2.096 30 50 FEEA C=CCNc1ncnc2c1CCN(C(=O)c1cn3ccsc3n1)CC2 72477832 QIADXXNZFYZKSJ-UHFFFAOYSA-N 354.439 2.025 30 50 FEEA C[C@@]12CC[C@@H]3[C@]4(CCC5=CC(=O)CC[C@]53[C@@H](O)O4)[C@H]1CC[C@H]2C(=O)CO 257349415 NZXFRHUXGRUMMY-NGFSFWIMSA-N 360.450 2.147 30 50 FEEA N#Cc1ccc(N2CC[C@H]3[C@H](CCC(=O)N3CCc3ccccn3)C2)nc1 1565506916 VETXWIJRZBLMGN-MJGOQNOKSA-N 361.449 2.408 30 50 FEEA COc1cc(C#N)ccc1OC[C@H]1CCCN(CC2COCCOC2)C1 1875244474 RXVRCFNOATWALY-KRWDZBQOSA-N 360.454 2.321 30 50 FEEA CCCO[C@@H]1C[C@@H](C(=O)NC2CCC2)CC[C@H]1NC(=O)c1cc(C#N)c[nH]1 1875246142 ZQELUGWXGRCVTI-YXJHDRRASA-N 372.469 2.249 30 50 FEEA Cc1cc2ccc(CNC(=O)Cc3c(C)nc4c(C#N)cnn4c3O)cc2[nH]1 1875340757 QIFVPGNNYMWYMW-UHFFFAOYSA-N 374.404 2.264 30 50 FEEA C#CCCC1(CCC(=O)N(CC(=O)O)Cc2ccc(OC)c(OC)c2)N=N1 2325901089 TUFSHFFGNCIKQJ-UHFFFAOYSA-N 373.409 2.473 30 50 FEEA C=CCc1cc(/C=C2/SC(=S)NC2=O)cc(OC)c1OCC(=O)O 2982704 QACBSGCOPPKDLV-KPKJPENVSA-N 365.432 2.376 30 50 FEEA C=CCn1c(=O)c2c(nc3n(-c4ccccc4C)c(C)c(C)n23)n(C)c1=O 4250743 ICCUXTXHGBMVOI-UHFFFAOYSA-N 363.421 2.250 30 50 FEEA CN(C)C(=O)c1ccc(CN[C@H]2CCCN(c3ccccc3C#N)C2)[nH]1 370255650 HLCBIIFCRSHXKJ-KRWDZBQOSA-N 351.454 2.347 30 50 FEEA C=CCNC(=O)CN1CCC(c2noc(-c3ccccc3OC)n2)CC1 192342382 VJDIRJXGEVMMOJ-UHFFFAOYSA-N 356.426 2.227 30 50 FEEA Cc1nc(N(C)C[C@@H]2CC(=O)N(C3CCCC3)C2)c(C#N)cc1C(=O)O 1529105529 FCYQFWMFZLCKLP-ZDUSSCGKSA-N 356.426 2.187 30 50 FEEA Cc1ncc(CN(CCN(C)C)C(=O)c2cccc(C#CC(C)(C)O)c2)[nH]1 1704335477 ADEWYHUZPUXLNR-UHFFFAOYSA-N 368.481 2.045 30 50 FEEA CCN1CCC[C@@H](CN(C)/C(O)=N/C2CCOCC2)[C@@H]1c1cnn(C)c1 328617418 CSMDSAMCARXHHV-MAUKXSAKSA-N 363.506 2.218 30 50 FEEA CN(C[C@@H]1CCc2nc(C(F)(F)F)cn2C1)C(O)=Nc1cnn(C)c1 328627787 NCQHFLVGWWDONW-JTQLQIEISA-N 356.352 2.375 30 50 FEEA CC(=O)ON1C(=O)[C@H]2[C@H](C1=O)[C@@]1(Cl)C[C@@]2(Cl)C(Cl)=C1Cl 216190678 FLPKKKZBPUAXKH-CRDJSWOESA-N 358.992 2.127 30 50 FEEA N#Cc1ccc(O[C@H]2COCC[C@@H]2NC(=O)c2nc3ccccc3[nH]2)cc1 1565512715 CSQBNOUPVQYZCF-ROUUACIJSA-N 362.389 2.401 30 50 FEEA N#Cc1ccc(C(=O)N[C@@H]2CC[C@H]3CN(C(=O)C4(F)CCCC4)C[C@@H]32)[nH]1 1875407307 XCIQHHMYOHODNG-AEGPPILISA-N 358.417 2.135 30 50 FEEA C=CCn1c(CNS(=O)(=O)c2ccc(Cl)cc2)nnc1SC 1388372 PONPCAGOEUOQMP-UHFFFAOYSA-N 358.876 2.318 30 50 FEEA N#Cc1ccc(N2CCN(C(=O)COc3cccc(Cl)c3)CC2=O)cc1 82146096 XJMSLZPSKKPFDO-UHFFFAOYSA-N 369.808 2.466 30 50 FEEA C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)NCc1ccc(F)c(F)c1 268112586 AYTOBRGAKPJWJF-GFCCVEGCSA-N 372.379 2.047 30 50 FEEA Cc1cc(OCC(=O)O/N=C(\N)c2ccncc2)ccc1Br 5092905 MCRQNOXCCRHDPD-UHFFFAOYSA-N 364.199 2.395 30 50 FEEA N#Cc1ccccc1C(=O)N1CC[C@@]23O[C@@H](c4ccccc4)CN2C(=O)C[C@@H]13 1857732306 KZEHUWPTBJWAIT-KNKQGSTJSA-N 373.412 2.473 30 50 FEEA C=CCN1CC[C@]2(CCC1=O)CN(c1cc(C3CC3)ncn1)CCN2C 107648558 PTNDUWGCWARCKS-HXUWFJFHSA-N 355.486 2.043 30 50 FEEA C=CCN1CC[C@]2(CCC1=O)CN(Cc1c[nH]c(CCCC)n1)CCN2C 217199547 QAOZYIDFCYNACC-OAQYLSRUSA-N 373.545 2.437 30 50 FEEA N#Cc1ncn(CC(=O)N2CCC(c3ccccc3Br)CC2)n1 189578320 YVIOTPQZHJPNHA-UHFFFAOYSA-N 374.242 2.318 30 50 FEEA C#CCCC1(CCC(=O)N[C@@H]2CC(=O)N(c3cccc(OC)c3)C2)N=N1 952882237 STNSQZIQFILGTA-CQSZACIVSA-N 354.410 2.272 30 50 FEEA C#CCCC1(CCC(=O)NC[C@@]2(O)CCN(Cc3ccccc3)C2)N=N1 2325892155 BRQSYOGEHNNJLJ-IBGZPJMESA-N 354.454 2.095 30 50 FEEA N#Cc1ccnc(N2CC[C@H]3[C@@H]2CCN3Cc2cn(-c3ccccc3)nn2)c1 2356145945 YGISWGOZWZGAND-PMACEKPBSA-N 371.448 2.387 30 50 FEEA C=CCNC(=O)C1CCN(S(=O)(=O)Cc2ccc(Cl)cc2)CC1 24608209 TXHHFVLEPXAHDV-UHFFFAOYSA-N 356.875 2.184 30 50 FEEA CCN1CCN(CCOc2ccc(CN3CCC(C#N)CC3)cc2)CC1 215983751 ZTJQWTWQSAOHSZ-UHFFFAOYSA-N 356.514 2.438 30 50 FEEA COc1cc(C(=O)NC[C@H]2CCCN(c3cccc(C#N)n3)C2)ccn1 824852107 VBWTUJNQWDHQNR-CQSZACIVSA-N 351.410 2.003 30 50 FEEA Cc1c(C#N)cccc1C(=O)N[C@H]1C[C@@H](NC(=O)[C@@H]2CCCO[C@@H]2C)C1 1875407100 SOCZQCWOXKWVBB-NYCLONFESA-N 355.438 2.059 30 50 FEEA C[C@H](CNC(=O)C1CC(c2cccc(F)c2)C1)N=c1[nH]nc(C#N)s1 1875405343 DGDKWWLWEDOADT-QFWMXSHPSA-N 359.430 2.081 30 50 FEEA C=CCCC[C@@H]1NC(=O)[C@H](Cc2sccc2Br)NC1=O 2325770410 UAWNDKLZSQQJHJ-QWRGUYRKSA-N 357.273 2.393 30 50 FEEA CCNC(=O)[C@@H]1C[C@H](NC(=O)c2ccc(C#N)cc2)CN1CC1CCCC1 92098496 JWNJXDNCZDUCRC-OALUTQOASA-N 368.481 2.057 30 50 FEEA CC(C)(O)C#Cc1ccc(C(=O)N2CCCN(Cc3ccccn3)CC2)o1 952991068 OOSAVCJPQDHLDZ-UHFFFAOYSA-N 367.449 2.145 30 50 FEEA CC(C)CN/C(=N/Cc1cccs1)[C@H](C#N)C(=O)Nc1ccnn1C 225503661 AOBFIGXTWAUNEH-AWEZNQCLSA-N 358.471 2.404 30 50 FEEA O=C1CCC(c2ccccc2)=C1CC(=O)N1C[C@@H]2COCC[C@]2(CO)C1 1772710385 QNKAQJWKJCVRLD-IIBYNOLFSA-N 355.434 2.051 30 50 FEEA Oc1ccc(Cl)cc1/C=N\Nc1ncc(F)c(N2CCOCC2)n1 15008818 BDPVFXJMTJEMRR-UWVJOHFNSA-N 351.769 2.257 30 50 FEEA C#CCOc1cc(C(=O)NCc2ccc3nc(O)[nH]c3c2)ccc1OC 670458664 MCEUIZRTNCKJHX-UHFFFAOYSA-N 351.362 2.219 30 50 FEEA CCC[C@H](C#N)N(C)S(=O)(=O)c1ccc(C2(C(=O)OC)CC2)cc1 225394849 LXVHGEVAKNOPIG-CQSZACIVSA-N 350.440 2.204 30 50 FEEA CNC(=O)CN1c2ccccc2C(=O)N(C)[C@H]1c1ccc(C#N)cc1F 448100879 JSNHGNUALNYIRA-GOSISDBHSA-N 352.369 2.034 30 50 FEEA CN(C[C@@H]1CCN(C(=O)c2ccc(C#N)[nH]2)C1)C(=O)[C@H]1Cc2ccccc21 2325824966 XMAYUHFXSQFESK-KSSFIOAISA-N 362.433 2.147 30 50 FEEA C#CCCC1(CCNC(=O)[C@H]2CC(=O)N(c3cc(C)ccc3OC)C2)N=N1 2325890979 KBQSSECUXKJWKQ-HNNXBMFYSA-N 368.437 2.438 30 50 FEEA C=CCNC(=O)CN(c1cc(C(F)(F)F)ccc1Cl)S(C)(=O)=O 2458498 HJIYVMLIWNIZAA-UHFFFAOYSA-N 370.780 2.427 30 50 FEEA C=CCOc1ccc(/C=C2\C(=O)NC(=O)N(C)C2=O)cc1Br 2888082 QCBHAXOIHSGXHC-JXMROGBWSA-N 365.183 2.106 30 50 FEEA C=CCCC(=O)N[C@H]1C[C@@H](C(=O)NCC)N(C(=O)c2ccc(C)cc2C)C1 96130893 MDNSJGMCMNYLOW-WMZOPIPTSA-N 371.481 2.105 30 50 FEEA C[C@]12[C@H]3C=C[C@@H]([C@@H]1[C@]14CCCC[C@@]12O4)n1c(=O)n(-c2ccccc2)c(=O)n13 257356453 ICMDFULXSWOZPR-WNFWSTTGSA-N 363.417 2.184 30 50 FEEA CC(C)(CC(=O)ON1C(=O)c2ccccc2C1=O)NC(=O)OC(C)(C)C 1772784717 LHBKUCFGFMKWSJ-UHFFFAOYSA-N 362.382 2.434 30 50 FEEA N#Cc1cccc([C@H]2C[C@@H]2C(=O)NS(=O)(=O)Cc2ccccc2C#N)c1 170650447 RVVZWFHKWXTEDV-MSOLQXFVSA-N 365.414 2.180 30 50 FEEA O/C(=N/C1CC1)[C@H](O)C1CCN(c2nnc(C(F)(F)F)s2)CC1 329739087 USQCIMHEZRXZBQ-SECBINFHSA-N 350.366 2.253 30 50 FEEA C=CCN1C[C@@]2(C(=O)O)CN(Cc3cccc(-c4ccco4)c3)C[C@H]2C1=O 77485566 SONZMRVGAIWIPO-UWJYYQICSA-N 366.417 2.478 30 50 FEEA Cn1cc([C@@H]2[C@@H](CNc3ncccc3C#N)CCC(=O)N2C2CC2)cn1 952852871 NBRXHUOUEAIVSY-KDOFPFPSSA-N 350.426 2.241 30 50 FEEA C#CCCC1(CCC(=O)NCC23CC(C(=O)OCC)(C2)C2(CCC2)O3)N=N1 2325892933 UMDMAJQHWBFPFM-UHFFFAOYSA-N 373.453 2.493 30 50 FEEA CCOC(=O)c1cn2cc(Cl)cc(B3OC(C)(C)C(C)(C)O3)c2n1 170006794 BNHCILOOGXFWLL-UHFFFAOYSA-N 350.611 2.464 30 50 FEEA CCCCCn1c(N/N=C\c2ccccc2)nc2c1c(=O)[nH]c(=O)n2C 33908448 VDWHFKNAJNOFSP-UNOMPAQXSA-N 354.414 2.060 30 50 FEEA CN1CCCC[C@H]1CCC(=O)N1CCN(Cc2ccccc2C#N)CC1 95379814 NBYHTFNJGRNWAQ-FQEVSTJZSA-N 354.498 2.467 30 50 FEEA CC(C)c1ccc(C#N)c(N[C@@H]2CCN(C(=O)c3ccccn3)C[C@H]2O)n1 244724396 MTBFQKAKZIIECZ-SJLPKXTDSA-N 365.437 2.159 30 50 FEEA C=C(C)CN(C)Cc1cnc(S(=O)(=O)C[C@@H]2CCCO2)n1CC(C)C 55071989 QEHQBBFYMQUREM-KRWDZBQOSA-N 369.531 2.500 30 50 FEEA C[C@H]1Oc2c(cccc2/C(O)=N/C2(c3ncon3)CCOCC2)N=C1O 329765000 WLSXSTMMSFJFQW-SNVBAGLBSA-N 358.354 2.449 30 50 FEEA CC(=O)N1CCc2cc(S(=O)(=O)Nc3ccc(CC#N)cc3)ccc21 29967247 QMYWPKHZPUOMRX-UHFFFAOYSA-N 355.419 2.462 30 50 FEEA N#C[C@H](C(=O)NC1CCCCC1)C(=O)c1cccc(OCC(F)F)n1 127820570 ZNUZIUFQDAREHM-LBPRGKRZSA-N 351.353 2.497 30 50 FEEA C=CC[C@@]1(C(=O)O)CCCN(C(=O)CCN2Cc3ccccc3C2=O)C1 91536650 ZYJRVDWLZXRBJP-HXUWFJFHSA-N 356.422 2.302 30 50 FEEA Cc1cc(C(=O)NC[C@H]2CCCN(Cc3cc(C#CCO)cs3)C2)no1 828644636 OZWOUEXYYLZNIP-MRXNPFEDSA-N 373.478 2.030 30 50 FEEA CN1CCN(C)C2(CCN(Cc3ccc(C#CC(C)(C)O)s3)CC2)C1 67975409 USYZQTJZAANMAI-UHFFFAOYSA-N 361.555 2.082 30 50 FEEA C#CC[C@H]1NC(=O)N(C[C@H](O)Cn2c3ccccc3c3ccccc32)C1=O 225437253 WBBZYXQLBJPLFD-RHSMWYFYSA-N 361.401 2.099 30 50 FEEA N#Cc1ccc(N2CCC(C(=O)NC[C@@H]3C[C@H]4CCC[C@H]4O3)CC2)nc1 1875269821 LPBZXPVCEZHMEQ-FGTMMUONSA-N 354.454 2.243 30 50 FEEA CC(=O)c1[nH]c(C)c(C(=O)NC2CCN(c3ncccc3C#N)CC2)c1C 952867871 ULWOOVQRDJDNOE-UHFFFAOYSA-N 365.437 2.500 30 50 FEEA N#Cc1ccsc1N1CC[C@@H](N2CCC[C@@](O)(C(F)(F)F)C2)C1=O 408403620 VWFFWCSHUZDWFF-RISCZKNCSA-N 359.373 2.114 30 50 FEEA Cc1nc(N[C@H]2CCCN(C(=O)c3ccco3)C2)c(C#N)cc1C(=O)O 1506403035 MCXGDQRLZIPUCL-ZDUSSCGKSA-N 354.366 2.270 30 50 FEEA C=CCn1nc(C(=O)N2CCCCCC2)c2c1CC[C@H](NC(C)(C)CO)C2 14745211 LEBPTBTVVRDUKM-INIZCTEOSA-N 374.529 2.303 30 50 FEEA N#Cc1c(NS(=O)(=O)Cc2ccccc2Cl)nc2n1CCS2 328594109 QHFRFEDFRUIBEM-UHFFFAOYSA-N 354.844 2.456 30 50 FEEA CC(C)(NS(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1)C(=O)NO 1490030 QCOQJYRPDUMCNP-UHFFFAOYSA-N 368.386 2.180 30 50 FEEA in-vitro CCOc1cccc([C@@H]2CC(=O)NC3=C2C(=O)[C@H](C(=O)OC)[C@H](C)C3)c1 6819966 DQUZRLXHEYWQCK-HYSWKAIVSA-N 357.406 2.341 30 50 FEEA N#Cc1ccccc1OC[C@@H](O)CS(=O)(=O)c1ccc(Cl)cc1 1399238 KJLYWCNMBMCVMJ-CQSZACIVSA-N 351.811 2.425 30 50 FEEA C=CCNC(=O)c1ccc(C(=O)Nc2ccnn2[C@H]2CCCOC2)cc1 1875286603 XFDFAJOZUCGLPR-INIZCTEOSA-N 354.410 2.403 30 50 FEEA Cc1noc([C@@H]2COCCN2C2CN(c3cccc(Cl)c3C#N)C2)n1 888098501 HAZXIVCSWJGYNO-INIZCTEOSA-N 359.817 2.165 30 50 FEEA C=CCn1ncc(CN2C[C@@H]3COC[C@H](C2)N(Cc2ccncc2)C3)c1C 1772706113 XSHXSHZBXYOINH-FPOVZHCZSA-N 367.497 2.105 30 50 FEEA N#C[C@H]1C(=O)N=C(N2CCN(c3ccc(F)cc3)CC2)NC12CCCCC2 6703667 ZLBPOWHKTMAXTL-KRWDZBQOSA-N 369.444 2.276 30 50 FEEA Cc1ccc(C#N)c(N2C[C@@H]3CC[C@H](C2)N(Cc2c(C)noc2C)C3=O)n1 91663691 LYAMDRGDZVGMJJ-DLBZAZTESA-N 365.437 2.494 30 50 FEEA Cc1nccn1Cc1nnc([C@H]2CCCN(c3cccc(C#N)n3)C2)n1C 95372216 FSYCPPHHWWSYFQ-HNNXBMFYSA-N 362.441 2.019 30 50 FEEA C=C(C)C[C@@H]1N(Cc2ccc(OC)cc2)C(=O)[C@@H]2[C@@H](C(=O)O)[C@H]3C=C[C@@]12O3 245254871 CYOKHXZXJDYXLW-DLUQJKKWSA-N 369.417 2.397 30 50 FEEA Cc1nsc(N2CCN([C@@H]3CCc4ccccc4NC3=O)CC2)c1C#N 289551636 UMMGUWCGXIBUKA-QGZVFWFLSA-N 367.478 2.399 30 50 FEEA CN(Cc1nccc(N)n1)[C@@H]1CCCN(/C(O)=N/Cc2ccccc2)CC1 328640870 QHFZRSDQARZNHQ-QGZVFWFLSA-N 368.485 2.459 30 50 FEEA C=CCCC(=O)N1CCC2(CC1)CN(Cc1cccc(O)c1)C[C@H]2C(=O)O 1857683393 RRCUFQFEFXEFFH-SFHVURJKSA-N 372.465 2.484 30 50 FEEA C=C(C)CN(CC)C(=O)C[C@H]1COc2ccc(C(=O)N(C)C)cc2N1C 67871307 DZRVEFIBVZYCIA-INIZCTEOSA-N 359.470 2.400 30 50 FEEA O=S(=O)(C1CCOCC1)N1CCC(/N=C(/O)Cc2ccsc2)CC1 329758761 OAXUJIOXEYCXNS-UHFFFAOYSA-N 372.512 2.220 30 50 FEEA CCc1cc(N2CCN(C(=O)Nc3ccc(C#N)cc3F)CC2)ncn1 299784616 IGWDFDVCJKMZJZ-UHFFFAOYSA-N 354.389 2.404 30 50 FEEA C#CCCC1(CCNC(=O)CN2CC[C@@H](c3ccccc3)NC2=O)N=N1 2325887452 SXVWOBXRRLRREM-INIZCTEOSA-N 353.426 2.225 30 50 FEEA C#CCCC1(CCNC(=O)CCN2C(=O)c3ccc(C)cc3C2=O)N=N1 2325890951 GVPSIIXBRHSPIQ-UHFFFAOYSA-N 352.394 2.063 30 50 FEEA CCOC(=O)C1=C(N)Oc2ccc(Cl)cc2[C@H]1[C@@H](C#N)C(=O)OCC 1030604 DXVKFBGVVRSOLI-YPMHNXCESA-N 364.785 2.252 30 50 FEEA in-vitro C=C(C)CN(C)Cc1cnc(S(=O)(=O)C[C@H]2CCCO2)n1CC(C)C 55071993 QEHQBBFYMQUREM-QGZVFWFLSA-N 369.531 2.500 30 50 FEEA N#Cc1ccccc1N1CCN(C(=O)CCc2nc3ccccc3[nH]2)CC1=O 82108174 HKEOSWNMVUSVJA-UHFFFAOYSA-N 373.416 2.243 30 50 FEEA C=CCN1CC[C@@]2(CCC1=O)CN(Cc1cccc(OC)c1)CCN2C 91494545 LYOWBSYSXBSBET-NRFANRHFSA-N 357.498 2.380 30 50 FEEA COC(=O)c1cc(C#N)c(-c2ccc(C(=O)N[C@@H]3CCOC3)cc2)nc1C 534592780 PQIBWEWJXWTVAW-MRXNPFEDSA-N 365.389 2.234 30 50 FEEA COc1ccc([C@H]2C[C@H]2C(=O)NS(=O)(=O)Cc2ccccc2C#N)cc1 170617030 SIOFJTNPQPNODW-QZTJIDSGSA-N 370.430 2.317 30 50 FEEA C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2[C@@H]2C[C@]3([C@@H](O)O2)[C@@H](C(=O)CO)CC[C@@H]13 13165418 QUQBHBRVKLEOEI-PIUNGXHFSA-N 360.450 2.003 30 50 FEEA in-vitro C[C@@H]1CN2CCCC[C@H]2CN1S(=O)(=O)c1ccc(C#N)c(Cl)c1 252477704 UJHKABPEYCKWES-OCCSQVGLSA-N 353.875 2.459 30 50 FEEA COc1nccc(N2CCN(CCc3ccccc3)[C@H](CCO)C2)c1C#N 72423416 UFYJKOCDOCZEJB-GOSISDBHSA-N 366.465 2.078 30 50 FEEA COc1ccc(C=Nn2c(O)nc3c([nH]c4cc(OC)ccc43)c2=O)cc1 253532941 FIPCSJCUCMFKOH-UHFFFAOYSA-N 364.361 2.483 30 50 FEEA COc1ccc(-c2[nH]ncc2Cn2ccc3nc(O)c(C#N)cc3c2=O)cc1 67714155 INKXYRFVJPGHLV-UHFFFAOYSA-N 373.372 2.421 30 50 FEEA COc1ccc(Cn2ccc3nc(OC)c(C#N)cc3c2=O)cc1OC 67885469 NCEWOJPKCHHJEZ-UHFFFAOYSA-N 351.362 2.342 30 50 FEEA COc1cc2c(=O)ncn(C/C(O)=N/C3CCN(C4CC4)CC3)c2cc1F 329644428 ZDAFVWJIGMCOHA-UHFFFAOYSA-N 374.416 2.128 30 50 FEEA CC1(CCC(=O)N2C[C@@H]3CCC[C@@H](N=c4ccc(C#N)n[nH]4)[C@H]3C2)CC1 1875408491 XZQSFNVKXOAATM-BHYGNILZSA-N 353.470 2.389 30 50 FEEA N#CC1(C(=O)N2C[C@H]3CC[C@@H](C2)N(Cc2ccccc2)C3)CCOCC1 247695361 ZJWHMIBXLSXGRK-OALUTQOASA-N 353.466 2.430 30 50 FEEA O=C(N1CCOCC1)C(F)(F)[C@@]1(F)OC(F)(F)C(F)(F)C1(F)F 2260666 LSLSYZVEGQDWAI-SECBINFHSA-N 361.160 2.040 30 50 FEEA N#CC1(C(=O)N[C@H]2CN(Cc3ccccc3)C[C@@H]2C2CC2)CCOCC1 91876729 HZAFVVIXXHITOY-MOPGFXCFSA-N 353.466 2.334 30 50 FEEA CCOc1ccc(NC(=O)N2CCN(C(=O)c3ccc[nH]3)CC2)cc1C#N 97815277 SMRHVANQPIGVME-UHFFFAOYSA-N 367.409 2.275 30 50 FEEA N#Cc1nc(N2C[C@@H]3C[C@@H](NC(=O)c4cccnc4)[C@H]3C2)sc1Cl 1875329367 RYXAZQPQONEULO-SDDRHHMPSA-N 359.842 2.318 30 50 FEEA OCCC#Cc1ccc(CN2CC[C@H](N3CCCCCC3)[C@@H](O)C2)cc1 1565531462 CFIGNDSCCQUQSD-VXKWHMMOSA-N 356.510 2.232 30 50 FEEA C#C[C@@](O)(c1ccc(OCOC)cc1)[C@@H](O)c1ccc(OCOC)cc1 19909189 JDXDOJVMTZQQNP-VQTJNVASSA-N 358.390 2.206 30 50 FEEA Cc1nsc(N2CCN(Cc3cccc(C(=O)N(C)C)c3)CC2)c1C#N 332440420 ISJAGDOAMRJULQ-UHFFFAOYSA-N 369.494 2.347 30 50 FEEA C=CCn1c(SCC(=O)Nc2nnc(C)s2)nnc1-c1ccccn1 6725746 DAVOZKGHVSNFFN-UHFFFAOYSA-N 373.467 2.417 30 50 FEEA N#Cc1ccc(O[C@@H]2COCC[C@H]2NC(=O)CSc2ccccn2)cc1 219812575 SRADDTJUJRDQGA-IAGOWNOFSA-N 369.446 2.398 30 50 FEEA C#CCCC1(CCC(=O)Nc2cnn(Cc3nnc4n3CCCC4)c2)N=N1 952879183 AXRNHWNEKAWTPF-UHFFFAOYSA-N 366.429 2.153 30 50 FEEA COc1cccc(/C=N/n2cnnc2)c1OCc1ccc(C(=O)O)cc1 1117327 QDSCBFHNSOCMOI-ZVBGSRNCSA-N 352.350 2.446 30 50 FEEA N#Cc1ccc(CNC(=O)N2C[C@@H]3C[C@H](C2)c2cccc(=O)n2C3)cc1F 455544005 OOAXVJGLYPQVEH-GOEBONIOSA-N 366.396 2.188 30 50 FEEA N#Cc1cccnc1N1CCCCN2CCCC[C@@H]2CC(=O)NCCC1 2100533839 HTKJVJMJHDRJBH-GOSISDBHSA-N 355.486 2.304 30 50 FEEA N#Cc1cnn2c(=O)nc(SCc3cc(Cl)nc(Cl)c3)[nH]c12 2325863618 QBBWULSUZGOPEU-UHFFFAOYSA-N 353.194 2.283 30 50 FEEA N#Cc1cc2c(nc1NC[C@@H]1C[C@H](F)CN1Cc1cncnc1)CCC2 376472299 DDKBXOJUNWCKCD-IRXDYDNUSA-N 352.417 2.256 30 50 FEEA C#CCCC1(CCC(=O)N2CCN(c3ccc(CN(C)C)cn3)CC2)N=N1 952879257 CJLGBBKWZDNDEW-UHFFFAOYSA-N 368.485 2.148 30 50 FEEA Cc1noc(C)c1CN1C(=O)[C@@H]2CC[C@H]1CN(c1ncccc1C#N)C2 252010123 RMLQBVSJGFFEMH-CVEARBPZSA-N 351.410 2.186 30 50 FEEA Cc1ccc(N2CCC[C@@H](/N=C(/O)c3cc(F)cc4nn[nH]c34)C2)nn1 328656119 NLUFLGGVQZBYCR-GFCCVEGCSA-N 355.377 2.169 30 50 FEEA Cc1ccc(C#N)c(N2CCC[C@H](c3nnc(Cn4ccnc4)n3C)C2)n1 95375715 IXVDWVFPYCBDJR-INIZCTEOSA-N 362.441 2.019 30 50 FEEA Cc1ccc(C#N)c(N2CC[C@@H](c3cc(O)nc(N4CCCC4)n3)C2)n1 864311266 GMIIGFPCZBVDHA-OAHLLOKOSA-N 350.426 2.351 30 50 FEEA N#Cc1ccc(S(=O)(=O)N[C@@H]2C[C@H]3OCCC[C@H]23)cc1C(F)(F)F 190627595 VPFAIJHMNKPCFD-MRVWCRGKSA-N 360.357 2.423 30 50 FEEA CC#CC(=O)N[C@H]1CCCN(c2c(F)cc(C(N)=O)c3[nH]c(C)c(C)c23)C1 1542984494 VJPPLCNBDLZIFG-ZDUSSCGKSA-N 370.428 2.131 30 50 FEEA O=C(C[C@@H]1S/C(=N\N=C\c2ccco2)NC1=O)Nc1ccccc1F 5450563 ONGRSRLVUGSGTR-VVSAQIQQSA-N 360.370 2.369 30 50 FEEA N#Cc1ccc(N2CCC[C@@H](NCc3cnc4cnccn34)C2)c(F)c1 156804807 VEROVRUUSHIORG-OAHLLOKOSA-N 350.401 2.499 30 50 FEEA N#Cc1ccc(OC[C@H](O)CN2CCC(=O)Nc3cc(F)ccc32)cc1 175084893 LAVAHFUGKLTUPH-OAHLLOKOSA-N 355.369 2.286 30 50 FEEA N#Cc1ccc(N2CCC(C(=O)N3CCn4cncc4C3)CC2)c(F)c1 290968206 SNWUQTUEUMRUTR-UHFFFAOYSA-N 353.401 2.153 30 50 FEEA CCC[C@@H]1CN(C(=O)c2ccc(C#CC(C)(C)O)cc2)C[C@H]1NC(C)=O 82115525 PPTNDHWHOSRZCH-RTBURBONSA-N 356.466 2.186 30 50 FEEA N#Cc1ccc(O[C@H]2COCC[C@@H]2NC(=O)CSc2ccccn2)cc1 1565511778 SRADDTJUJRDQGA-IRXDYDNUSA-N 369.446 2.398 30 50 FEEA Cc1cnccc1N1CCCN(c2nc(C)c(C(=O)O)cc2C#N)CC1 1529091853 RLCIBHDHRCDCMA-UHFFFAOYSA-N 351.410 2.380 30 50 FEEA Cc1cc(C[C@@H]2CN(Cc3ccc(C#CC(C)(C)O)s3)C[C@@H]2O)on1 1529172784 OJJUOTBRGXIUHC-KDOFPFPSSA-N 360.479 2.202 30 50 FEEA C[C@@H](Oc1ccc(Br)cc1)C(=O)O/N=C(\N)c1cccnc1 5059713 QFDIOEGMJFBDMR-SNVBAGLBSA-N 364.199 2.475 30 50 FEEA CC(C)C[C@@]1(CO)CCCN1/C(O)=N/[C@@H]1CCCC[C@H]1S(C)(=O)=O 331170271 VIGABWUNVAJPIJ-BFYDXBDKSA-N 360.520 2.129 30 50 FEEA N#C[C@H]1C(=O)NC(N2CCN(c3ccccc3)CC2)=NC12CCCCC2 4080139 WTPCNJYZYTZVHC-KRWDZBQOSA-N 351.454 2.137 30 50 FEEA CC(=O)ON1C(=O)[C@@H]2[C@@H](C1=O)[C@@]1(Cl)C[C@@]2(Cl)C(Cl)=C1Cl 216190585 FLPKKKZBPUAXKH-XNPHGXEZSA-N 358.992 2.127 30 50 FEEA CN(C)C(=O)c1ccc(CN[C@@H]2CCCN(c3ccccc3C#N)C2)[nH]1 370255651 HLCBIIFCRSHXKJ-QGZVFWFLSA-N 351.454 2.347 30 50 FEEA COc1ccc(/C=N\NC(N)=S)cc1COc1ccc2c(c1)OCO2 32476171 MBCOMZLSBBZRSD-UWVJOHFNSA-N 359.407 2.170 30 50 FEEA C#CCCC1(CCC(=O)N[C@@H](c2nn[nH]n2)c2cc(F)ccc2F)N=N1 2325894763 NSLBOCUGMXZRMV-CQSZACIVSA-N 359.340 2.039 30 50 FEEA Cn1cnnc1C[C@@]1(O)CCCN(Cc2ccccc2C(C)(C)C#N)C1 888077728 RDPWCKHKWRPLJN-FQEVSTJZSA-N 353.470 2.186 30 50 FEEA Cc1nn(C)c(C)c1[C@H]1OCC[C@@H]1CNC(=O)Cc1ccc(C#N)cc1 888078676 LIGJRRDZPSFFHA-XLIONFOSSA-N 352.438 2.345 30 50 FEEA COc1ccc(/C(N)=N/OC(=O)c2cccc([N+](=O)[O-])c2C)cc1OC 5068369 LCMBCJIZNGIBIO-UHFFFAOYSA-N 359.338 2.398 30 50 FEEA C=CCNC(=O)CN(C1CCCCC1)S(=O)(=O)c1ccc(F)cc1 3005637 HMDSWCBYTCCJJJ-UHFFFAOYSA-N 354.447 2.451 30 50 FEEA N#Cc1cc2n(n1)CCCN(C(=O)c1cc(COc3ccccc3)[nH]n1)C2 67677888 LFSYKLLCQSXMNC-UHFFFAOYSA-N 362.393 2.103 30 50 FEEA N#Cc1cc2c(nc1N1CCC[C@]3(CCC(=O)N(CCO)C3)C1)CCCC2 77486694 LGTMFOGFRQFOFP-OAQYLSRUSA-N 368.481 2.033 30 50 FEEA CC[C@@H]1C[C@@H]1C(=O)NC[C@H]1CC2(CO1)CN(c1ncc(C#N)cc1C)C2 1875407926 KHMQYXQBFAWTAD-ZACQAIPSSA-N 354.454 2.019 30 50 FEEA C=CCN(Cc1ccc2cc(NC(C)=O)ccc2n1)[C@@H]1CCS(=O)(=O)C1 1506399534 HFCDAOKFVCBFIB-GOSISDBHSA-N 373.478 2.368 30 50 FEEA S=C(N/N=C1\CCCc2cccnc21)N1CCN(c2ccccn2)CC1 208108328 UTDAKQMBNSHJJB-CJLVFECKSA-N 366.494 2.214 30 50 FEEA in-vitro C[C@@H](Oc1ccccc1C#N)C(=O)N1CCC(Nc2cccnn2)CC1 109638784 QJZNZGVNDMYXAT-CQSZACIVSA-N 351.410 2.219 30 50 FEEA CC(C)n1cc(C#N)c(NC(=O)[C@@H]2CN(Cc3ccccc3)CCO2)n1 161032405 ZWLKGAKHTFYBSP-KRWDZBQOSA-N 353.426 2.175 30 50 FEEA C#CCCC1(CCC(=O)N[C@@H]2CCCn3cc(C(=O)OCC)nc32)N=N1 2325891754 FEGFVYSCDXIQJX-CYBMUJFWSA-N 357.414 2.367 30 50 FEEA Cn1nc(CO)c2c1CCN(C(=O)CC1=C(c3ccccc3)CCC1=O)C2 299785193 QSQJOGNRNYJXAO-UHFFFAOYSA-N 365.433 2.004 30 50 FEEA CCCc1cc(C(=O)N[C@H]2CCOC[C@@H]2Oc2ccc(C#N)cc2)n[nH]1 1565529365 GHMHBJDJZKSZDE-WMZOPIPTSA-N 354.410 2.200 30 50 FEEA N/C(=N\CCCCCC/N=C(\N)Nc1ccccn1)Nc1ccccn1 274249690 YHGSPFTXKONWAY-UHFFFAOYSA-N 354.462 2.190 30 50 FEEA Cc1nc(CN2C[C@@H](F)C[C@H]2CN(C)/C(O)=N/[C@H]2C=CCCC2)no1 328654398 XJMUEXTXJHMTIK-KKUMJFAQSA-N 351.426 2.245 30 50 FEEA Cc1ccc(C#N)c(N2CCC(c3nnc(Cn4ccnc4)n3C)CC2)n1 91269630 UGQLBUAEVKLFTO-UHFFFAOYSA-N 362.441 2.019 30 50 FEEA CCN(C(=O)CC1=C(c2ccccc2)CCC1=O)[C@H]1CCS(=O)(=O)C1 91426412 KERPFRBFIARWOQ-HNNXBMFYSA-N 361.463 2.229 30 50 FEEA N#CC1(NC(=O)c2csc(I)c2)CCOCC1 115466226 BZUSAFNUZATHJB-UHFFFAOYSA-N 362.192 2.155 30 50 FEEA CCN1CCC(=NNS(=O)(=O)c2ccc(Br)cc2)CC1 50102532 CZORLKAJNPTVTE-UHFFFAOYSA-N 360.277 2.199 30 50 FEEA Cc1noc(C)c1CO[C@H]1COCC[C@@H]1NC(=O)c1ccccc1C#N 1565508715 XBGVNWNRSUVTKI-ROUUACIJSA-N 355.394 2.267 30 50 FEEA C=CCNC(=O)CSc1nnc(-c2cc(C(F)(F)F)n(C)n2)n1CC 2793535 LQIRCRVTYDGFHH-UHFFFAOYSA-N 374.392 2.112 30 50 FEEA C=CC(=O)N1CCC(C(=O)N=C2C[C@@H](C)N(Cc3ccccc3)N2)CC1 1875371755 LDDNXEWPRMQEBR-OAHLLOKOSA-N 354.454 2.135 30 50 FEEA C=C1C(C)(C)[C@@H]2CC[C@@]1(C(=O)N1CCC3(CC1)C(=O)NCCCN3C)C2 71311817 GOYMEMYUPABIAQ-OXQOHEQNSA-N 359.514 2.182 30 50 FEEA C=CCn1nc(C(=O)N(C)C)c2c1CC[C@H](NCc1ccccc1OC)C2 14752142 CTUDQDAZWATXSP-INIZCTEOSA-N 368.481 2.427 30 50 FEEA Cc1nc[nH]c1CN1C[C@@H]2CC[C@H](C1)CN2Cc1ccc(C#CCO)s1 248048136 RJOWFCKLZFYQJM-SJORKVTESA-N 370.522 2.220 30 50 FEEA CCCN(CC(=O)O)S(=O)(=O)c1ccc(C(F)(F)F)cc1C#N 262411728 LPCHLLDOEDTDTR-UHFFFAOYSA-N 350.318 2.062 30 50 FEEA CCOC(=O)C1=C(N)Oc2ccc(Cl)cc2[C@H]1[C@H](C#N)C(=O)OCC 1030606 DXVKFBGVVRSOLI-AAEUAGOBSA-N 364.785 2.252 30 50 FEEA in-vitro COc1ccc([C@H](CN2CCCC2)/N=C(/O)[C@@H]2CCS(=O)(=O)C2)cc1 329126023 YITHVEKVCYIBOS-WBVHZDCISA-N 366.483 2.223 30 50 FEEA Cc1nc(CN(C)[C@H]2CCN(Cc3cn4ccccc4c3C#N)C2)no1 363628809 XUIGSNWRLONLJW-INIZCTEOSA-N 350.426 2.209 30 50 FEEA N#Cc1ccccc1C(=O)N1CCN2C(=O)OC[C@@]2(Cc2ccccc2)C1 1857679896 ZTWJPOKINDVJIU-OAQYLSRUSA-N 361.401 2.448 30 50 FEEA C#CCCC1(CCNC(=O)C2CCN(C(=O)c3cccnc3)CC2)N=N1 2325887479 VPPCGSJRUGAZQA-UHFFFAOYSA-N 353.426 2.016 30 50 FEEA C#CCCC1(CCC(=O)NC[C@H](Cc2ccc(O)cc2)C(=O)OC)N=N1 2325894822 RLWUVBNHOJJTNA-HNNXBMFYSA-N 357.410 2.196 30 50 FEEA Cc1ccc(O[C@@H](C)C(=O)N2CCOC[C@@H]2C#N)c(Br)c1 173124819 LKRHNYHKTGTWCM-RYUDHWBXSA-N 353.216 2.276 30 50 FEEA Cc1ccc(CCN2C(=O)CC[C@H]3CN(C(=O)C4(C#N)CC4)CC[C@H]32)o1 72463412 KPXZYEJIUIBTJD-DOTOQJQBSA-N 355.438 2.274 30 50 FEEA COc1ccc2c(c1)[C@@H](N)CCN2S(=O)(=O)c1cccc(C)c1C#N 373181519 UIYGYGBROUXHLD-INIZCTEOSA-N 357.435 2.474 30 50 FEEA C#CCCC1(CCC(=O)Nc2ccc([C@]3(C)NC(=O)N(C)C3=O)cc2)N=N1 1875368955 TVXJZOMXMWNZPC-SFHVURJKSA-N 367.409 2.378 30 50 FEEA C#CCCC1(CCC(=O)N2CCCN(Cc3nccn3CC)CC2)N=N1 952880742 LFGJRAVZJYMCLC-UHFFFAOYSA-N 356.474 2.293 30 50 FEEA N#Cc1ccc(S(=O)(=O)N[C@@H]2CCOC[C@H]2OCc2ccccc2)cc1 222849904 HOQABETWRADAKT-RTBURBONSA-N 372.446 2.211 30 50 FEEA C#CCCC1(CCNC(=O)c2cnn(-c3ccc(OCC)nn3)c2C)N=N1 2325893518 BIVWZFHJUADBKS-UHFFFAOYSA-N 367.413 2.065 30 50 FEEA O=C(O)COc1ccc(/C=N/NS(=O)(=O)c2ccc(Cl)cc2)cc1 25759750 TWWXQRLAZNJSCW-RQZCQDPDSA-N 368.798 2.116 30 50 FEEA N#CCc1ccc(NC(=O)Cn2c(-c3nonc3N)nc3ccccc32)cc1 1080521 KEFRQIIABBOUBL-UHFFFAOYSA-N 373.376 2.373 30 50 FEEA COC[C@H](/N=C(/O)N1CCN(CC(C)(C)O)C[C@H]1C)c1ccc(F)cc1 331223543 LTALWSYGJUFZTA-PBHICJAKSA-N 367.465 2.204 30 50 FEEA N#Cc1ccnc(-c2ccc(C(=O)NCCN3CCCC[C@H]3CO)cc2)c1 426485775 PJNAARQJXNYZBK-IBGZPJMESA-N 364.449 2.197 30 50 FEEA C=CCc1cc(C(=O)N2CCC(c3nnc(CO)n3C)CC2)ccc1OC 299789940 ARJGQWFIBTUMFZ-UHFFFAOYSA-N 370.453 2.064 30 50 FEEA COCCN1CCC(CN(C)C(=O)Nc2ccc(OC)c(C#N)c2)CC1 299771049 YRSJFDIHQVUXRQ-UHFFFAOYSA-N 360.458 2.389 30 50 FEEA O=C1CCC(c2ccccc2)=C1CC(=O)N1CCN(c2cnccn2)CC1 827957200 XZMCZGJBONCEOJ-UHFFFAOYSA-N 362.433 2.332 30 50 FEEA CN(C)CCCN1C(=O)C(O)=C(C(=O)c2ccco2)[C@H]1c1ccncc1 19883458 IISWWMDQMFDNHH-MRXNPFEDSA-N 355.394 2.205 30 50 FEEA Cc1nccc(N[C@H]2CN(C(=O)C3(C#N)CCOCC3)C[C@@H]2C(C)C)n1 91270337 WBUIKMHIFHQDOK-CVEARBPZSA-N 357.458 2.000 30 50 FEEA CO[C@@H]1COCC[C@H]1NS(=O)(=O)c1sc2ccc(C#N)cc2c1C 218596193 HCISTKDJJIPNJC-ZIAGYGMSSA-N 366.464 2.164 30 50 FEEA C[C@@H](Oc1ccccc1C#N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)O 299747430 CZJNSFPNSVQNRF-DYVFJYSZSA-N 350.374 2.364 30 50 FEEA Cc1cc(C)c(C#N)c(N[C@@H]2CCN(Cc3c(C)noc3C)C[C@H]2O)n1 299761510 TWHAQTYHCBVPHC-QZTJIDSGSA-N 355.442 2.222 30 50 FEEA N#Cc1c(-c2ccccc2)[n+](=O)c2cc(N3CCOCC3)c(F)cc2n1O 334157413 IVNHNUFUXBRHBB-UHFFFAOYSA-N 367.360 2.307 30 50 FEEA CN([C@]1(C#N)CCOC1)S(=O)(=O)c1cc(F)cc(C(F)(F)F)c1 2325771107 RLZKTVZXYSNBID-LBPRGKRZSA-N 352.309 2.148 30 50 FEEA N#Cc1cnc2ccccc2c1N1CCN(C(=O)C2(O)CCCCC2)CC1 128089487 DWVNQQOXWKFGQW-UHFFFAOYSA-N 364.449 2.450 30 50 FEEA Cc1noc([C@]23CCC[C@H]2CN(C(=O)c2ccccc2OCC#N)C3)n1 888098131 FIDVAAOFRJYKKG-LIRRHRJNSA-N 352.394 2.474 30 50 FEEA COc1cc(C#N)ccc1OC[C@H]1CCCN(C(=O)c2c[nH]c(=N)s2)C1 1857735818 BVTYOUIKKZNWQV-ZDUSSCGKSA-N 372.450 2.367 30 50 FEEA Cc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2ccccn2)o1 20227717 YFURUXRFHOOGMC-INIZCTEOSA-N 355.394 2.123 30 50 FEEA Cc1noc([C@H]2COCCN2C2CN(c3cccc(Cl)c3C#N)C2)n1 888098502 HAZXIVCSWJGYNO-MRXNPFEDSA-N 359.817 2.165 30 50 FEEA C=CCN1C(=O)/C(=C\c2ccc(OCC)cc2OCC)C(=O)NC1=S 15012429 QNZYGZCNZOASEL-UVTDQMKNSA-N 360.435 2.297 30 50 FEEA COc1ccc(C(=O)C2=C(O)C(=O)N(CCO)[C@H]2c2ccc(F)cc2)cc1 17137650 OJLKHPFPNBOLND-KRWDZBQOSA-N 371.364 2.405 30 50 FEEA CN1C[C@@H](N/C(O)=N/CC(C)(C)c2ccccc2Br)CC1=O 331327100 PEFHTKJZOMPAQW-NSHDSACASA-N 368.275 2.461 30 50 FEEA CCCS(=O)(=O)N1CCC(/N=C(/O)C2(C3CC3)CCOCC2)CC1 329573843 AMQNLSFETYVWEA-UHFFFAOYSA-N 358.504 2.354 30 50 FEEA N#Cc1ccc(O[C@@H]2COCC[C@H]2NC(=O)c2cn3ccsc3n2)cc1 219155944 AIBXRZQFLHRHCC-GDBMZVCRSA-N 368.418 2.234 30 50 FEEA Cn1c(Cn2cccn2)nnc1C1CCN(Cc2ccc(C#N)cc2)CC1 91616417 QCNCUQNEDORRCA-UHFFFAOYSA-N 361.453 2.311 30 50 FEEA CN1CC[C@H](NC(=O)c2cccc(-c3nc4c(cc3C#N)CCCC4)c2)C1=O 534590713 ZDBYBENOKWREAU-IBGZPJMESA-N 374.444 2.460 30 50 FEEA C[C@@H](N)[C@@H]1CCCN(S(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)C1 269678318 ZDQIOAVQOFWYCB-ZYHUDNBSSA-N 361.389 2.325 30 50 FEEA Cc1cc(N2CC[C@](Cc3ccccc3)(C(=O)O)[C@H](O)C2)nc(C)c1C#N 2356150073 KPUIINCWHWURPC-WIYYLYMNSA-N 365.433 2.455 30 50 FEEA C=CCn1c(SCC2(CO)COC2)nc2sc(C)c(C)c2c1=O 119800138 ZQCGOSJPHYJWCT-UHFFFAOYSA-N 352.481 2.362 30 50 FEEA N#Cc1cc2c(=O)n(Cc3nc(Cc4cccs4)no3)ccc2nc1O 67964958 WEKQFTYBRPFJHS-UHFFFAOYSA-N 365.374 2.057 30 50 FEEA CN(Cc1nccc(N)n1)[C@@H]1CCCN(c2ncc(C#N)cc2Cl)CC1 328625442 DDNSWCFVEBKJQQ-CQSZACIVSA-N 371.876 2.470 30 50 FEEA C#CCOc1c(OC)cccc1[C@@H]1CC(=O)NCc2nc(N(C)C)sc21 65454516 OCYAJSGHCZEMFI-ZDUSSCGKSA-N 371.462 2.382 30 50 FEEA CC(C)(C)n1cnc(NC(=O)N2CCC(Oc3cccc(C#N)c3)CC2)n1 329761475 RLMDZXVPHBBJBA-UHFFFAOYSA-N 368.441 2.980 30 50 FEEA C=CCN(Cc1ccccc1OC)S(=O)(=O)N1CCC[C@H](COC)C1 952981830 WQRGKMIATBSWOS-INIZCTEOSA-N 368.499 2.286 30 50 FEEA O=C1N=C(O)/C(=N/Nc2ccc([N+](=O)[O-])cc2)C(=O)N1Cc1ccccc1 4477871 CINQVWYPABFFEA-ZHZULCJRSA-N 367.321 2.482 30 50 FEEA N#Cc1cncc(S(=O)(=O)NC(=O)[C@@H]2CC[C@@H](c3ccccc3)C2)c1 860784677 DWTJJNLUVJSVTB-HZPDHXFCSA-N 355.419 2.342 30 50 FEEA N#Cc1ccnc(N2CCC[C@@]3(CCC(=O)N(CCc4c[nH]cn4)C3)C2)c1 91635907 LOVKNUVJUZXYRH-HXUWFJFHSA-N 364.453 2.128 30 50 FEEA C=CC[N@@+]12[C@H]3C[C@]45c6ccccc6N(C)[C@H]4[C@@H]1C[C@@H]([C@H]3[C@@H]5O)[C@@H](CC)[C@H]2O 252441239 LSVIWPNZJIGKRQ-RGSUYYQUSA-N 367.513 2.255 30 50 FEEA CC(C)n1cc([C@@]2(O)CCCN(c3nc4c(cc3C#N)CCC4)C2)nn1 284417478 CNIBFCGAIBYTTA-LJQANCHMSA-N 352.442 2.102 30 50 FEEA Nc1nsc(N2CCN(/C(O)=N/[C@@H]3CCCc4sccc43)CC2)n1 329881234 OFYMGDIPQLXEQI-LLVKDONJSA-N 364.500 2.295 30 50 FEEA CC(C)(O)C#Cc1cccc(C(=O)NC[C@H]2CCCN(C(=O)C3CC3)C2)c1 827928457 XPKJOXJTKKKMAX-QGZVFWFLSA-N 368.477 2.187 30 50 FEEA CC(C)(C)OC(=O)N1CCn2c(COc3ccc(C#N)cc3)nnc2C1 952992426 MXWMWFMGDDTLGZ-UHFFFAOYSA-N 355.398 2.479 30 50 FEEA C#CCCC1(CCC(=O)N[C@H](C)c2nc(C(=O)OCC)c(N)s2)N=N1 2325894686 HTDNAQCDDOTOGC-SNVBAGLBSA-N 363.443 2.435 30 50 FEEA COc1ccc([C@@H]2C3=C(CC(C)(C)CC3=O)Nc3[nH]c(=O)[nH]c(=O)c32)cc1 949122 IBEHWIJZTXNDPW-CQSZACIVSA-N 367.405 2.272 30 50 FEEA biogenic Cc1cc(N2CCC[C@H](N(C)Cc3nccc(N)n3)CC2)c(C#N)c(C)n1 328651466 VXRKVAJOBBIXCK-INIZCTEOSA-N 365.485 2.433 30 50 FEEA N#Cc1ccc(N2CCN(C(=O)N[C@@H]3CCC[C@@H]4OCC[C@@H]43)CC2)c(F)c1 151561957 HWJJCLXPUISDPW-SUMDDJOVSA-N 372.444 2.487 30 50 FEEA O=C(c1cnn(C/C(O)=N/C2CCCC2)c1)N1CC[C@@H](O)C12CCCC2 329466783 WCZQKWZURUKUOU-MRXNPFEDSA-N 360.458 2.302 30 50 FEEA N#Cc1ccccc1N1CCC(CNC(=O)[C@H](O)c2cccnc2)CC1 371200520 OLXJMVUVVYHUED-LJQANCHMSA-N 350.422 2.019 30 50 FEEA CN(C[C@H]1CCc2nc(C(F)(F)F)cn2C1)C(=O)c1c[nH]c(C#N)c1 328616117 BJGKBQMHOIJRAJ-SNVBAGLBSA-N 351.332 2.436 30 50 FEEA COCC/N=C(/O)c1c[nH]nc1[C@H]1CCCN(c2ccc([N+](=O)[O-])cn2)C1 328604808 LCTRHIRRFGXLAJ-LBPRGKRZSA-N 374.401 2.048 30 50 FEEA Cc1nc(C[C@H]2CCCN(/C(O)=N/Cc3cn4ccsc4n3)C2)no1 329184764 OJQTZICRTWISSJ-GFCCVEGCSA-N 360.443 2.456 30 50 FEEA Cc1ccccc1N1CCN(C(=O)c2c[nH]c(=O)c(C#N)c2C)[C@H](C)C1 77523668 JOHUPOXHJDOUHR-CQSZACIVSA-N 350.422 2.214 30 50 FEEA COC(=O)c1cc(-c2c(C)c(-c3cnn(C)c3)nc(N)c2C#N)ccc1O 71751161 KCFJMCOXBYSNDW-UHFFFAOYSA-N 363.377 2.404 30 50 FEEA CN(C)C(=O)COC[C@@H]1CN(c2ccc(C#N)c(Cl)c2)CC(C)(C)O1 285007124 MCYPIHFPKHQWCN-HNNXBMFYSA-N 365.861 2.300 30 50 FEEA Cc1c(I)cccc1C(=O)NC1(C#N)CCOCC1 124303905 KJZJPBFKOAODQQ-UHFFFAOYSA-N 370.190 2.402 30 50 FEEA CN(C)C(=O)COC[C@@H]1CN(c2c(Cl)cccc2C#N)CC(C)(C)O1 284427755 CVCMNCAYPNALNV-AWEZNQCLSA-N 365.861 2.300 30 50 FEEA N#Cc1ccc(O[C@H]2CCOC[C@@H]2NC(=O)CCc2cccnc2)cc1 1565509405 GKQIOGWMRYKLKX-OALUTQOASA-N 351.406 2.239 30 50 FEEA N#Cc1cc(-c2cccc(C(=O)N3C[C@H](CO)[C@@H](CO)C3)c2)ccc1F 1565513262 NCKQJRXCGSGZTQ-QZTJIDSGSA-N 354.381 2.037 30 50 FEEA O=[N+]([O-])c1ccc(O)c(/C=N/CC/N=C/c2cc([N+](=O)[O-])ccc2O)c1 1670414 YLTXOGYEOSBKDA-BEQMOXJMSA-N 358.310 2.452 30 50 FEEA CN(C)CCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@@H]1c1ccccn1 20229632 JINPLNPDOZVUIM-KRWDZBQOSA-N 351.406 2.222 30 50 FEEA C#CCCC1(CCC(=O)N[C@@](C)(COc2ccccc2)C(=O)OC)N=N1 2325892126 AHUFYPXYGVINHJ-SFHVURJKSA-N 357.410 2.469 30 50 FEEA O=C1C=CC(=NOC(=O)c2ccccc2I)C=C1 1184563 MALJUGYWUZRLOM-UHFFFAOYSA-N 353.115 2.499 30 50 FEEA Cc1nc[nH]c1CN1C[C@@H]2CC[C@H](C1)N(Cc1cc(C#N)n(C)c1C)C2 91625180 HKBKOPAJWSTNIK-FUHWJXTLSA-N 352.486 2.333 30 50 FEEA Cn1ccc(C2CCN(Cc3ccc(C#CCCO)cc3)CC2)cc1=O 1772805055 XJKJRRAWYVFBBN-UHFFFAOYSA-N 350.462 2.499 30 50 FEEA CC(C)N1C(=O)C[C@@H](/N=C(/O)Cc2cc(Cl)c3c(c2)OCCO3)C1=O 330092452 YSLFWVCRMIRIKB-GFCCVEGCSA-N 366.801 2.146 30 50 FEEA CC1(C)OB(c2cncc(Br)c2C2OCCO2)OC1(C)C 2325904090 XQTYUAAIPVDVPI-UHFFFAOYSA-N 356.025 2.189 30 50 FEEA COc1cccc(-c2c(C#N)c(N)nc3c2COCC3)c1O[C@@H](C)C(=O)O 71762471 RRRVQRDHHYNMKJ-JTQLQIEISA-N 369.377 2.136 30 50 FEEA N#Cc1ccc(C(=O)N2CCC[C@@]3(CCc4c[nH]c(=N)nc43)C2)c(F)c1 2356143470 IXPKIJREYQJBME-LJQANCHMSA-N 351.385 2.020 30 50 FEEA COC(=O)[C@@H](/C=N/Nc1ncc(C(F)(F)F)cc1Cl)n1cncn1 5700495 ZCUVHUBAGDNGDM-XFOZMLDISA-N 362.699 2.157 30 50 FEEA Cn1nccc1N1CCC[C@H](/N=C(/O)[C@H]2CCCN2C2CCCC2)C1=O 330056736 WIPRTOXFIJHNMZ-JKSUJKDBSA-N 359.474 2.279 30 50 FEEA N#Cc1ccc(N2CCCn3nc(CCC(=O)N4CCCC4)cc3C2)nc1 82120220 DBNUVQOXGGJLCN-UHFFFAOYSA-N 364.453 2.115 30 50 FEEA Cn1nccc1[C@@H]1CCCCN1S(=O)(=O)Cc1ccc(F)cc1C#N 296136443 SNBFUFOTTHAMTI-KRWDZBQOSA-N 362.430 2.488 30 50 FEEA Cc1ccc(C#N)c(N2CCC(CNC(=O)c3cncc(F)c3)CC2)n1 826786576 SLCGYLRCQCVMPD-UHFFFAOYSA-N 353.401 2.442 30 50 FEEA C#CCCC1(CCC(=O)NC[C@H]2CC(=O)N(C)[C@@H]2c2ccncc2)N=N1 952876498 SOZHWLCOUSWZOQ-CRAIPNDOSA-N 353.426 2.073 30 50 FEEA C=CCOC(=O)N1CCN(c2ccc(B3OC(C)(C)C(C)(C)O3)cc2)CC1 169743758 CJPCQWNCEFXZGO-UHFFFAOYSA-N 372.274 2.430 30 50 FEEA Cc1ccc(O[C@H]2CCN(S(=O)(=O)c3cccc(C)c3C#N)C2)cn1 328634590 UFTPZUXZGVEHTQ-INIZCTEOSA-N 357.435 2.412 30 50 FEEA CN1CC[C@@H]2CN(C(=O)CC3=C(c4ccccc4)CCC3=O)C[C@@H]2C1=O 1772810827 PDNGBBLXDSRHQM-QAPCUYQASA-N 352.434 2.130 30 50 FEEA N#Cc1ccc(CCC(=O)N2CCNC(=O)[C@@H]2c2ccccc2F)cc1 378648319 SKJXYHSICOHPPJ-IBGZPJMESA-N 351.381 2.330 30 50 FEEA CC(C)[C@@H]1COCCN(C(=O)[C@H]2CC(=O)N(c3ccc(C#N)cc3)C2)C1 2325784300 RBKXXIHQGHJPEK-IRXDYDNUSA-N 355.438 2.042 30 50 FEEA N#Cc1nccnc1-c1cccc(-c2ccn(CCN3CCOCC3)n2)c1 20637130 KCOVWEYBBFWBHL-UHFFFAOYSA-N 360.421 2.211 30 50 FEEA C[C@]12CC[C@@H]3[C@]4(CCC5=CC(=O)CC[C@]53[C@H](O)O4)[C@H]1CC[C@H]2C(=O)CO 257349416 NZXFRHUXGRUMMY-PWDRZEKNSA-N 360.450 2.147 30 50 FEEA C[C@@H]1N(S(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)CCC12CCOCC2 408211649 QGQFVGZWMUMOIP-LBPRGKRZSA-N 365.411 2.046 30 50 FEEA Cc1nnc(SCCCNC(=O)c2ccc(C#CC(C)(C)O)o2)s1 55369714 KOSUBJAFDLRUTI-UHFFFAOYSA-N 365.480 2.474 30 50 FEEA C=CCN1CC[C@]2(CCC1=O)CN(Cc1cccc(OC)c1)CCN2C 107404764 LYOWBSYSXBSBET-OAQYLSRUSA-N 357.498 2.380 30 50 FEEA COc1ccccc1[C@H]1C2=C(CC(C)(C)CC2=O)Nc2[nH]c(=O)[nH]c(=O)c21 1431728 YGZZOJWGYGJUBA-AWEZNQCLSA-N 367.405 2.272 30 50 FEEA CCN1C[C@]2(CCCN(c3nc(C)c(C(=O)OC)cc3C#N)C2)CCC1=O 72439290 PLGVWFWNIXUISH-FQEVSTJZSA-N 370.453 2.277 30 50 FEEA Cn1cc(-c2cc(-c3ccc(N4CCOCC4)cc3)nc(N)c2C#N)cn1 71762187 DDUHSSXDNJPDLU-UHFFFAOYSA-N 360.421 2.440 30 50 FEEA N#Cc1cc(CN2CCOC3(CCN(Cc4ccccn4)CC3)C2)c[nH]1 826756115 WSRXIMKAKMEHCO-UHFFFAOYSA-N 351.454 2.148 30 50 FEEA CO[C@@H]1CN(c2ccc(C(F)(F)F)cc2C#N)C[C@H]1c1cn(C)nn1 886080384 PYNCXBWERYKTFX-SWLSCSKDSA-N 351.332 2.324 30 50 FEEA Cc1c(C#N)cccc1C(=O)N1CC[C@@H](c2cc(O)nc(N(C)C)n2)C1 888095101 PEWOTXJIIWCNOM-CQSZACIVSA-N 351.410 2.058 30 50 FEEA CN(C)c1cnc(C(=O)N2CCN(c3ccc(C#N)cc3Cl)CC2)cn1 332407029 YOLATUMTXUEDGJ-UHFFFAOYSA-N 370.844 2.030 30 50 FEEA N#CC1CC(O)(CNCCCN2CCN(c3ccccc3Cl)CC2)C1 2325766173 QROLRQYKDGKPJQ-UHFFFAOYSA-N 362.905 2.106 30 50 FEEA Cc1c(C#N)c(-c2cccc(C(=O)NC(CO)CO)c2)nc2ccccc12 2356149124 KXJMOOKUDKKVCS-UHFFFAOYSA-N 361.401 2.165 30 50 FEEA C#CCN1CC[C@H](N2CCN(C/C=C/c3ccccc3)CC2)CCC1=O 20601232 LJLOOQRTEXWNKM-VHTFYLNKSA-N 351.494 2.332 30 50 FEEA C/C(O)=N/[C@@]1(c2noc(C)n2)CCN(c2cc(NCC3CC3)ncn2)C1 328608951 BTUVFGSXKKLVFJ-KRWDZBQOSA-N 357.418 2.072 30 50 FEEA CNS(=O)(=O)[C@@H]1CCN(Cc2ccc(-c3ccccc3C#N)cc2)C1 156062520 YYPOWQPUHVSELS-GOSISDBHSA-N 355.463 2.349 30 50 FEEA Cc1cccn2cc(C(=O)N3CCN(c4ccc(C#N)cc4)C(=O)C3)nc12 82120310 RDFZHIBCIFXHEX-UHFFFAOYSA-N 359.389 2.003 30 50 FEEA COc1ccc(NC(=O)N2C[C@H]3C[C@@H](C2)[C@@H]2CCCC(=O)N2C3)cc1C#N 95513029 FKUUDIMCLRXPSX-KMFMINBZSA-N 368.437 2.432 30 50 FEEA N#Cc1ccc(C(=O)N[C@@H]2CC[C@@H]3CN(C(=O)C4(F)CCCC4)C[C@H]32)[nH]1 1875407308 XCIQHHMYOHODNG-BPLDGKMQSA-N 358.417 2.135 30 50 FEEA C#C[C@@](O)(c1ccc(OCOC)cc1)[C@H](O)c1ccc(OCOC)cc1 19909187 JDXDOJVMTZQQNP-WOJBJXKFSA-N 358.390 2.206 30 50 FEEA N#CCNC(=O)c1cc(-c2cccnc2)nc2c1cnn2Cc1ccco1 126382195 MRCFELCMVKZKBC-UHFFFAOYSA-N 358.361 2.388 30 50 FEEA CCc1nc(C#N)cc(=NC2C[C@@H]3CCC[C@H](C2)N3C(=O)C2(F)CC2)[nH]1 1875405918 RMXPWOMKHVWPJD-LQDVMPOASA-N 357.433 2.159 30 50 FEEA CN(C[C@H]1OCC[C@H]1c1nc[nH]n1)c1ccc(C(F)(F)F)c(C#N)n1 952890775 ZNOCBMDPPUQVEF-BXKDBHETSA-N 352.320 2.099 30 50 FEEA C#CCCC1(CCC(=O)N2C[C@@H](c3n[nH]c(COC)n3)[C@H](C3CC3)C2)N=N1 2325892808 GOYHRXPNYGBXLK-LSDHHAIUSA-N 370.457 2.259 30 50 FEEA Cc1nc(C/N=C(/O)N2CCC[C@@H](Nc3ccc(N(C)C)nc3)CC2)no1 328647268 TWLFIGBYONEEQB-CQSZACIVSA-N 373.461 2.220 30 50 FEEA COc1cc(CN2CCN(C)[C@H](c3nc(C4CC4)no3)C2)ccc1C#N 284945444 DSVRAMAIQQPBOQ-INIZCTEOSA-N 353.426 2.316 30 50 FEEA C=CCOc1ccccc1NC(=O)N1CCC[C@H](c2nnc(CO)n2C)C1 299788482 PUOPADNQHKQFAT-AWEZNQCLSA-N 371.441 2.284 30 50 FEEA Cc1cc(C)c(C#N)c(N[C@H]2CCN(Cc3csc(C)n3)C[C@@H]2O)n1 1565507851 XVZGOXIGOHYAPO-IRXDYDNUSA-N 357.483 2.382 30 50 FEEA Cc1ccn(C)c1C(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 188985302 LTQYJOMWURLPCE-UHFFFAOYSA-N 365.393 2.416 30 50 FEEA C#CCCC1(CCNC(=O)[C@H]2CCC(=O)N(CC)[C@@H]2c2ccncc2)N=N1 2325900201 OSESJZPGHPFMFS-FUHWJXTLSA-N 367.453 2.463 30 50 FEEA C=CCOc1c(Cl)cc(C(=O)N[C@H](C)c2n[nH]c(=O)[nH]2)cc1Cl 55254597 CDESGZNDBSEKDY-SSDOTTSWSA-N 357.197 2.461 30 50 FEEA CN1CCO[C@@H]2CCN(/C(O)=N/Cc3cccnc3OC3CCCC3)C[C@H]21 328886149 OSTVJNXUNVAVPY-QZTJIDSGSA-N 374.485 2.222 30 50 FEEA COCCCN1CC2(CCC1=O)CCN(c1ccnc(OC)c1C#N)CC2 91575128 NAQAYGXNCMNXAU-UHFFFAOYSA-N 372.469 2.207 30 50 FEEA Cc1ccccc1[C@H]1C[C@H](/N=C(/O)N2CCO[C@@H](CN(C)CC(=N)O)C2)C1 329804295 LXMWEEPPWRJPGX-ULQDDVLXSA-N 374.485 2.323 30 50 FEEA N#Cc1c(F)cccc1S(=O)(=O)NC(=O)c1ccc(C2(C#N)CC2)cc1 159912118 IVAJDYATXIAILY-UHFFFAOYSA-N 369.377 2.371 30 50 FEEA C[C@@H](CNC(=O)N1CCO[C@H](C#N)C1)Oc1ccccc1Br 175977905 NHGVJUCQKZHGQG-NWDGAFQWSA-N 368.231 2.150 30 50 FEEA C[C@]12C[C@H](O)[C@@]3(F)[C@H](CCC4=CC(=O)C=C[C@@]43C)[C@H]1CC=C2C(=O)CO 253500015 UAEUTSQWOUBCLN-VPELLDEPSA-N 360.425 2.455 30 50 FEEA biogenic CN(CCCc1[nH][nH]c(=N)c1C#N)C(=O)c1ccc2c(c1)C(=O)CCS2 2325879192 LRJDLFFYHZZJLR-UHFFFAOYSA-N 369.450 2.077 30 50 FEEA CCCC[C@H]1C(=O)N(C)CCN1C(=O)c1cccc(C#CC(C)(C)O)c1 1506421259 FVCWBCOYOQISKY-SFHVURJKSA-N 356.466 2.282 30 50 FEEA O=C1C2=C(Nc3[nH]c(=O)[nH]c(=O)c3[C@H]2c2ccc(F)cc2)c2ccccc21 18142378 BOCNSTMQSGVTTA-ZDUSSCGKSA-N 361.332 2.367 30 50 FEEA CCOC(=O)[C@@H]1C(=O)C=C(N2CCOCC2)C[C@H]1c1cccc(OC)c1 1440883 NXVBLOXYDZFGOT-HKUYNNGSSA-N 359.422 2.147 30 50 FEEA C#CCCC1(CCNC(=O)c2nnn(Cc3ccc(OC)cc3)c2C)N=N1 2325891581 PDOKZUDEBVLYRX-UHFFFAOYSA-N 366.425 2.339 30 50 FEEA CS(=O)(=O)N(CC(=O)Nc1ccc(CC#N)cc1)c1cccc(F)c1 983116 BBIDZXHPPSNBBE-UHFFFAOYSA-N 361.398 2.296 30 50 FEEA COc1cc(C#N)ccc1OCC(=O)N1[C@H](C(=O)O)C[C@@H]2CCCC[C@H]21 263727640 PAAXHLQUTWDZKX-ZNMIVQPWSA-N 358.394 2.190 30 50 FEEA COc1ccc(C(=O)N2CCCN(c3ncccc3C#N)CC2)c(OC)c1 55740131 SDNINSRQMYKTNN-UHFFFAOYSA-N 366.421 2.323 30 50 FEEA N#C[C@H]1COCCN1C(=O)c1ccc(-c2noc(C(F)(F)F)n2)cc1 170651656 BLKFYFZSUHNEAY-NSHDSACASA-N 352.272 2.120 30 50 FEEA CCCC(=O)NCCN1CCN(c2nc(CC(C)C)ccc2C#N)CC1 2325866800 AFXJRKPMBUTPDZ-UHFFFAOYSA-N 357.502 2.190 30 50 FEEA COCCN1C[C@@]2(CCCN(c3nc(C)cc(C)c3C#N)C2)CCC1=O 77456314 DALMQXZMAMPOLI-HXUWFJFHSA-N 356.470 2.426 30 50 FEEA N#Cc1ccc(N2CCN(C(=O)NCC[C@@H]3CCCCO3)CC2)c(F)c1 181849389 BUVPVIQLPWCKTR-INIZCTEOSA-N 360.433 2.488 30 50 FEEA N/C(Cc1ccc([N+](=O)[O-])cc1)=N\OS(=O)(=O)c1ccc(Cl)cc1 5094700 DWTOGNWKNNWWKL-UHFFFAOYSA-N 369.786 2.468 30 50 FEEA C#CCCC1(CCNC(=O)c2cc(C(=O)OCC)n3ncccc23)N=N1 2325900089 KOCNSENMWBFXEG-UHFFFAOYSA-N 353.382 2.206 30 50 FEEA C=CC[C@@H]1CC=C[C@@H](c2ccccc2)N1C(=O)CCn1ccc(=O)[nH]c1=O 55575489 XLCBGUBMCOIIOK-MSOLQXFVSA-N 365.433 2.401 30 50 FEEA O=C(O)CN(CC1CC1)C1CC(/N=C(/O)Cn2ncc3ccccc32)C1 328652276 WHNLFBCAHYDFAL-UHFFFAOYSA-N 356.426 2.320 30 50 FEEA CCN1C(=O)CC[C@H](CNc2nc(C)ccc2C#N)[C@H]1c1cnn(C)c1 952887128 IHZAJMANBHYTGK-QAPCUYQASA-N 352.442 2.407 30 50 FEEA N#Cc1nc(N2C[C@H]3[C@@H](NC(=O)c4cccnc4)C[C@H]3C2)sc1Cl 1875329369 RYXAZQPQONEULO-TUAOUCFPSA-N 359.842 2.318 30 50 FEEA C=C(COc1cc(C(=O)OC)ccc1I)C(=O)O 2325860824 WEAMLLPAEBGONP-UHFFFAOYSA-N 362.119 2.097 30 50 FEEA CCCCn1nnnc1/N=C(\O)NC1CCN(Cc2ccccc2)CC1 48353745 IKLNJMSAOIWSLH-UHFFFAOYSA-N 357.462 2.273 30 50 FEEA CN1CCN(C[C@@H](C#N)[C@H](O)c2cc(-c3ccccc3Cl)on2)CC1 96316074 SPNKJTWDXPBXOO-ACJLOTCBSA-N 360.845 2.416 30 50 FEEA N#Cc1ccc(N2CCC(C(=O)N3CCn4nccc4C3)CC2)c(F)c1 1453762206 BKUBCSXVSMURRR-UHFFFAOYSA-N 353.401 2.153 30 50 FEEA CC(C)c1ccc(C#N)c(N2CCCN(C(=O)c3cnccn3)CC2)n1 1772819840 VIONHHPBVJVNTP-UHFFFAOYSA-N 350.426 2.219 30 50 FEEA C=CCN1C[C@H](C(=O)N2CCc3onc(-c4ccccc4F)c3C2)CC1=O 12315929 QQLPHYYRHPZESY-CYBMUJFWSA-N 369.396 2.400 30 50 FEEA C=CCc1cccc2cc(C(=O)N3CCN(C(=O)OCC)CC3)c(=O)oc12 4409874 CZEAVIWYXFZWAF-UHFFFAOYSA-N 370.405 2.436 30 50 FEEA CN(CCCN(C)C(=O)CC1(C#N)CC1)C(=O)Cc1cc(C2CC2)on1 2325867834 GZOHDNOLDMZFIJ-UHFFFAOYSA-N 358.442 2.095 30 50 FEEA N#Cc1ccc(C(=O)NS(=O)(=O)c2ccc(F)c(C(F)(F)F)c2)cn1 115914005 PWAWZSBJXGMODW-UHFFFAOYSA-N 373.287 2.230 30 50 FEEA CS[C@H](C)C/N=C(/O)N(C)C[C@@H]1CCCN(C)[C@H]1c1cnn(C)c1 328631669 RGJIWZSLJUKOKX-IJEWVQPXSA-N 353.536 2.400 30 50 FEEA Cc1cc(S(=O)(=O)N2CCN([C@H]3CC[C@@H](C#N)C3)CC2)c(C)s1 241132898 JMZDWWRQXKGWNA-CABCVRRESA-N 353.513 2.364 30 50 FEEA N#Cc1ccccc1N1CCN(C(=O)c2cccc(-n3cccn3)c2)CC1=O 82156073 VMINKPDOGUIXPP-UHFFFAOYSA-N 371.400 2.233 30 50 FEEA C=CCO[C@H]1[C@@H]2O[C@@H](c3ccccc3)OC[C@H]2O[C@@H](N=[N+]=[N-])[C@@H]1NC(C)=O 228897788 TUASEOJDNWKJMN-KKFZBWNWSA-N 374.397 2.212 30 50 FEEA N#Cc1cc(C(=O)N[C@H]2CCCN(Cc3ccc(F)cc3F)C2=O)c[nH]1 190960442 SKENPJZXMHPASU-INIZCTEOSA-N 358.348 2.086 30 50 FEEA N#Cc1cc(F)ccc1S(=O)(=O)N1C[C@H](c2ccsc2)[C@@H](CO)C1 249479094 UXLZVIHJSIJAHI-UKRRQHHQSA-N 366.439 2.155 30 50 FEEA N#Cc1ccc(C(=O)N2CCc3nnc(CCc4ccccc4)n3CC2)cn1 67787399 BRLMQEROQCQNRZ-UHFFFAOYSA-N 372.432 2.028 30 50 FEEA C[C@H]1CN(C2CCOCC2)CCN1/C(O)=N/CCOC1CCCCC1 330270658 UPATVZRVNPOGQO-INIZCTEOSA-N 353.507 2.435 30 50 FEEA CCCCOC(O)=C1C=CC(=NC2=C([N+](=O)[O-])CS(=O)(=O)C2)C=C1 334158331 HDLZZFSQXGPALC-UHFFFAOYSA-N 354.384 2.056 30 50 FEEA CCOC(=O)[C@@H]1[C@@H](C)Oc2nc(N)c(C#N)c(N)c2[C@@H]1c1cccs1 1848444166 RPKBTAKFPSDZFK-GGZOMVNGSA-N 358.423 2.271 30 50 FEEA CCSc1nnc(NC(=O)CN2CCc3c(cnc(C)c3C#N)C2)s1 65455012 LHNADAMBMLBIJE-UHFFFAOYSA-N 374.495 2.222 30 50 FEEA CN(Cc1nccs1)[C@@H]1CC12CCN(/C(O)=N/C[C@H]1CCOC1)CC2 328631594 KSNCVSOQNWYJEX-HUUCEWRRSA-N 364.515 2.380 30 50 FEEA CC(C)n1cc(C#N)c(NC(=O)[C@H]2CN(Cc3ccccc3)CCO2)n1 161032520 ZWLKGAKHTFYBSP-QGZVFWFLSA-N 353.426 2.175 30 50 FEEA CCOc1ccc(S(=O)(=O)N/N=C\c2ccc(OC)c(OC)c2)cc1 32577559 UVTGBGMUABWKTO-PDGQHHTCSA-N 364.423 2.415 30 50 FEEA COCC(C)(C)C(=O)NS(=O)(=O)c1ccc(C#N)cc1C(F)(F)F 165762057 KYXPIKKAZJKKMO-UHFFFAOYSA-N 364.345 2.055 30 50 FEEA Cc1nc(N(C)C[C@H]2CC(=O)N(C3CCCC3)C2)c(C#N)cc1C(=O)O 1529105528 FCYQFWMFZLCKLP-CYBMUJFWSA-N 356.426 2.187 30 50 FEEA Cn1cc(-c2ccnc(C3CCN(C(=O)c4ccc(C#N)[nH]4)CC3)n2)cn1 952892213 LLYHYLHGDHAHIH-UHFFFAOYSA-N 361.409 2.097 30 50 FEEA C#CCCC1(CCC(=O)N2CCN(Cc3nccn3C(F)F)CC2)N=N1 952881074 NYKDEHDJFNITIL-UHFFFAOYSA-N 364.400 2.278 30 50 FEEA CC(C)(O)C#Cc1ccc(C(=O)NCc2nc(Cc3ccccc3)no2)o1 952985183 QELCHPOVGIKATR-UHFFFAOYSA-N 365.389 2.306 30 50 FEEA Cc1cc[n+](-c2[nH]c(=O)sc2/C=N/Nc2ccc([N+](=O)[O-])cc2)cc1 4763247 JFPJJOGUTUTOOL-UHFFFAOYSA-O 356.387 2.376 30 50 FEEA C=CCCC(=O)N1C[C@@H]2[C@H](CNC(=O)c3ccc(C)nc3)[C@H]3CC[C@]2(C1)O3 1857735535 DYIQQAVPQRKKEH-XKGFGPFHSA-N 369.465 2.092 30 50 FEEA C[C@H](CN1CCN(c2ccccc2)CC1)N=c1nc(C#N)[nH]cc1Cl 2325868403 YORDIOPXRABQTD-CQSZACIVSA-N 356.861 2.046 30 50 FEEA C=CCNC(=O)c1ccc(N(C)S(=O)(=O)c2ccc(OC)cc2)cc1 2864283 NOKMBHLKECSGFG-UHFFFAOYSA-N 360.435 2.436 30 50 FEEA CN(C)c1ccc(N[C@H]2CCCN(/C(O)=N/CCn3cccn3)CC2)cn1 328630509 JKKIRMXVMFFEIM-INIZCTEOSA-N 371.489 2.225 30 50 FEEA COc1ccc(/C=N/N2C(=O)[C@@H]3[C@H]4C=C[C@@H]([C@@H]5C[C@@H]45)[C@H]3C2=O)c(OC)c1 244659428 HCKZNPLHWXTKAE-WKLICJCCSA-N 352.390 2.091 30 50 FEEA Cn1ccnc1CN1CCC2(CC1)CN(Cc1cccc(C#N)c1)CCO2 952873930 RFHGZMSLCLMIAX-UHFFFAOYSA-N 365.481 2.159 30 50 FEEA COc1ccc([C@@H](O)/C(=N\N)c2nc3ccc(Cl)cc3nc2O)cc1 18203252 PTQUNNORZBNADX-LRSOKBAUSA-N 358.785 2.394 30 50 FEEA CN1C(=O)CCO[C@H]2CN(Cc3ccc(-c4ccccc4C#N)o3)C[C@@H]21 1857741090 CBAZJRIMGZEHOR-HKUYNNGSSA-N 351.406 2.250 30 50 FEEA C#CCCC1(CCNC(=O)[C@H](c2ccccc2)N2CCC(O)CC2)N=N1 2325890892 AHOQGKYUOHMHBD-SFHVURJKSA-N 354.454 2.266 30 50 FEEA COc1nccc(N2CC[C@@H](C3CCN(c4ncccn4)CC3)C2)c1C#N 72147569 ABRJADDQVHTFRE-MRXNPFEDSA-N 364.453 2.495 30 50 FEEA C#CCCC1(CCC(=O)N2CCN(Cc3cccc(F)c3)C(=O)C2)N=N1 952879721 GTQDUSCGGPUSQB-UHFFFAOYSA-N 356.401 2.352 30 50 FEEA N#Cc1ccc(N2CCC[C@@H]2C(=O)N=[S@@]2(=O)CC[C@@]3(CCCN3)C2)cc1 1875405394 FPRGTMSOMBMEMO-QKSGUBBWSA-N 372.494 2.048 30 50 FEEA Cc1c(C#N)c(N2CCC[C@H](c3nnc(CO)n3C)C2)nc2ccccc12 1857673765 XIEVXPMWEJQGJD-AWEZNQCLSA-N 362.437 2.420 30 50 FEEA Cn1c2c(c(=O)n(C)c1=O)[C@H](c1ccccc1)C1=C(N2)c2ccccc2C1=O 8995900 DCMLCRHDZHXHBN-OAHLLOKOSA-N 371.396 2.249 30 50 FEEA COc1cc(C#N)ccc1OCC(=O)N1[C@H](C(=O)O)C[C@@H]2CCCC[C@@H]21 263727634 PAAXHLQUTWDZKX-KKUMJFAQSA-N 358.394 2.190 30 50 FEEA C[C@@H](Oc1ccccc1C#N)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)O 299747429 CZJNSFPNSVQNRF-CXAGYDPISA-N 350.374 2.364 30 50 FEEA C#CCCC1(CCC(=O)N[C@@H]2CCN(Cc3ccc(OC)cc3)C2=O)N=N1 2325892337 JQSXORBQNFKLCL-QGZVFWFLSA-N 368.437 2.268 30 50 FEEA C=CCOc1cccc(NC(=O)C2CCN(S(=O)(=O)CC)CC2)c1 56337567 UEGLUZFXKYWPJL-UHFFFAOYSA-N 352.456 2.252 30 50 FEEA Cn1nc(C2CCN(c3ncccc3C#N)CC2)n(-c2ccccc2)c1=O 67841526 OEZQACLNRZQPQY-UHFFFAOYSA-N 360.421 2.222 30 50 FEEA CC(C)(O)C#Cc1ccc(C(=O)NC2CCN(C[C@@H]3CCCO3)CC2)cc1 218367895 HFPRDCOILOCMNW-FQEVSTJZSA-N 370.493 2.182 30 50 FEEA N#Cc1ccc(O[C@H]2CCN(C(=O)c3coc4c3C(=O)CCC4)C2)nc1 295404853 SXDPHGUEUNMPQJ-ZDUSSCGKSA-N 351.362 2.359 30 50 FEEA Cc1cc(C)c(C#N)c(N2CCC[C@@H](S(=O)(=O)NC3CCCC3)C2)n1 182561518 XOIBJQGHZVPRCL-MRXNPFEDSA-N 362.499 2.401 30 50 FEEA Cc1c(CN(C)CCNc2cc([C@H]3CCOC3)ncn2)cc(C#N)n1C 299796614 NHBMODHSPHSBRX-HNNXBMFYSA-N 354.458 2.043 30 50 FEEA N#Cc1ccc(O[C@H]2COCC[C@@H]2NC(=O)c2cccc3nccnc23)cc1 1565510701 OBAIBTKVGMXNQW-HKUYNNGSSA-N 374.400 2.468 30 50 FEEA COc1ccc(/C(N)=N/OC(=O)c2c(OC)cccc2OC)cc1OC 5077870 CKLWMWKLVPYLDR-UHFFFAOYSA-N 360.366 2.198 30 50 FEEA O/C(=N/[C@@H]1CCc2nc[nH]c2C1)N1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1 329738229 MRLKCJVROKZCGQ-CHWSQXEVSA-N 355.446 2.056 30 50 FEEA C=C(C)C[C@@H]1N(Cc2ccc(OC)cc2)C(=O)[C@H]2[C@H](C(=O)O)[C@H]3C=C[C@]21O3 245254872 CYOKHXZXJDYXLW-NAIAOIPJSA-N 369.417 2.397 30 50 FEEA COc1cncc(CNC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 169794080 HCYFORKURBLEOU-UHFFFAOYSA-N 364.251 2.414 30 50 FEEA in-vitro OC(=Nc1ccc(F)cn1)N1CCO[C@@H](c2ccnc(N3CCCC3)n2)C1 328626164 LKWFHLTZVYRACC-OAHLLOKOSA-N 372.404 2.230 30 50 FEEA CC(C)(O)C#Cc1ccc(C(=O)NCc2noc(-c3ccccc3)n2)o1 217150085 ADGRHXYHHMYUAB-UHFFFAOYSA-N 351.362 2.382 30 50 FEEA COc1cc(CN2CCC[C@@](O)(c3cn(C(C)C)nn3)C2)ccc1C#N 285617076 VSHGFHOVTKCZRT-IBGZPJMESA-N 355.442 2.223 30 50 FEEA C[C@H]1c2ccccc2O[C@H]1C(=O)NS(=O)(=O)c1cccc(F)c1C#N 159977047 CPGVDWZUCGQURE-MGPLVRAMSA-N 360.366 2.067 30 50 FEEA CC/C(=N\NS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(O)cc1O 17075041 FCESNVMTOVQHQI-JQIJEIRASA-N 365.367 2.099 30 50 FEEA Cc1c(CN2C[C@H]3CC[C@@H]2CN(C(=O)c2ccncc2)C3)cc(C#N)n1C 91586174 IPHDQLLXFZZABJ-VQIMIIECSA-N 363.465 2.337 30 50 FEEA Cc1c(CN2C[C@@H]3CC[C@H]2CN(C(=O)c2ccccn2)C3)cc(C#N)n1C 1565515877 AHSMRWWXBPHGME-WMZOPIPTSA-N 363.465 2.337 30 50 FEEA C[C@@H](C(=O)NC1(C#N)CCCCC1)N1CCN(c2cncc(F)c2)CC1 271002783 YZFFCMYFZFDGRO-HNNXBMFYSA-N 359.449 2.074 30 50 FEEA C#CCC1(C(=O)OCC)CCN(C(=O)NC[C@@H](C)Cn2ccnc2C)CC1 1875288992 OOLUCXXXXZMVNS-MRXNPFEDSA-N 374.485 2.206 30 50 FEEA Cc1coc(C(=O)N2CCC[C@@H]3CN(c4cncc(C#N)n4)CC[C@H]32)c1 1875407701 GEQPCSBVPRQFQM-GDBMZVCRSA-N 351.410 2.381 30 50 FEEA O=C(NC1CCC(NC(=O)C(F)(F)C(F)F)CC1)C(F)(F)C(F)F 2902988 RTSKRWJWWXOXOA-UHFFFAOYSA-N 370.240 2.331 30 50 FEEA O=P(/C(=N/O)Sc1ccccc1)(N1CCOCC1)N1CCOCC1 4990364 NCSJGTJBMCQNER-NXVVXOECSA-N 371.399 2.381 30 50 FEEA N=C(O)N1CCC[C@H]1/C(O)=N/[C@@H]1CC(=O)N([C@@H]2C[C@H]2c2ccccc2)C1 330008902 FVTKQJQJNSGTFB-FXUDXRNXSA-N 356.426 2.057 30 50 FEEA N#C[C@]1(CO)CC12CCN(C[C@H](O)COc1cccc(Cl)c1)CC2 1875281749 UOXXLNAYMGYBRU-YJBOKZPZSA-N 350.846 2.068 30 50 FEEA C#CCCC1(CCC(=O)N2C[C@H](C#N)[C@@]3(C2)C(=O)Nc2ccccc23)N=N1 1875368904 DRNAAQMFHMHWAZ-VBKZILBWSA-N 361.405 2.214 30 50 FEEA O=C1CC[C@H]([C@@H]2CCC/C2=N\Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])[C@@H]1O 25666262 WNGQDXDLPCVOHD-VZZDDWAVSA-N 362.342 2.411 30 50 FEEA CN(C)c1ccc(N[C@@H]2CCCN(/C(O)=N/Cc3cnn(C)c3)CC2)cn1 328627634 GJLFAAZRQLKPGK-MRXNPFEDSA-N 371.489 2.262 30 50 FEEA O/C(=N/[C@@H]1CCc2c[nH]nc2C1)N1C[C@H](O)C[C@H]1c1ccc(F)c(F)c1 328884878 NCINXMNRMWGQFT-XNJGSVPQSA-N 362.380 2.267 30 50 FEEA Cn1c(CN2CCCC2)nnc1[C@H]1CCCN(c2cc(C#N)ccn2)C1 77523533 DDHVGWBJIKJPGC-INIZCTEOSA-N 351.458 2.062 30 50 FEEA CC(C)[C@H]1N(c2cnc(C#N)cn2)CC12CCN(C(=O)[C@@H]1C[C@H]1C)CC2 1875408409 VTBZAMJLMQYDIO-QGPMSJSTSA-N 353.470 2.458 30 50 FEEA CC(=O)N1C[C@H]2CN(Cc3ccccc3C#Cc3ccccc3)C[C@]2(CO)C1 1772809951 AXFATPVHHQWYBC-DNQXCXABSA-N 374.484 2.359 30 50 FEEA C=C1[C@H]2C[C@@]3([C@H](CC2=O)[C@@]24[C@@H]5[C@@H]3C[C@H]2[C@@](C)(CC[C@H]4O)CN5CC)[C@@H]1O 253369399 CBOSLVQFGANWTL-JPLBIISFSA-N 357.494 2.000 30 50 FEEA biogenic OCC#Cc1csc(CN2CCN(C3Cc4ccccc4C3)CC2)c1 67872793 MXTAMPIPWYHHOF-UHFFFAOYSA-N 352.503 2.377 30 50 FEEA C#CCCC1(CCNC(=O)c2cccc(NC(=O)c3ccn(C)n3)c2)N=N1 2325893705 UWFHAVOEEUMCOC-UHFFFAOYSA-N 364.409 2.368 30 50 FEEA C=C(C)COc1ccccc1CN1CC[C@@H]2[C@@H](CCC(=O)N2CCN)C1 72407274 HFKHXUYJBWYAEQ-PKOBYXMFSA-N 357.498 2.413 30 50 FEEA N#Cc1ccc(N2CC[C@@H]3[C@@H](CCC(=O)N3CCc3ccccn3)C2)nc1 72419687 VETXWIJRZBLMGN-PKOBYXMFSA-N 361.449 2.408 30 50 FEEA Cc1cc(S(=O)(=O)N2CCN([C@@H]3CC[C@H](C#N)C3)CC2)c(C)s1 241132901 JMZDWWRQXKGWNA-LSDHHAIUSA-N 353.513 2.364 30 50 FEEA C[C@@H](C(=O)O)N1CC2(CCC1=O)CCN(Cc1cccc(C#N)c1)CC2 91445206 QJNSKJLYSSQIDN-HNNXBMFYSA-N 355.438 2.236 30 50 FEEA O/N=C(\c1ccccc1)[C@@]12[C@@H]3[C@H]4[C@@H]1[C@@H]1[C@H]2[C@H]3[C@@]1(Br)C41OCCO1 253388590 WTEAORZRLOVQJG-CUEYTLJRSA-N 374.234 2.493 30 50 FEEA C=CCN1C[C@H](C)N(C(=O)c2cccc(OC)c2OCCCN)C[C@@H]1C 1565507294 NEVMNVIYOSNRIR-HOTGVXAUSA-N 361.486 2.144 30 50 FEEA Cc1cc(C#N)cnc1N1CCN(C(=O)CCCN2CCCCC2)CC1 2325867405 VBGINARONJLEHO-UHFFFAOYSA-N 355.486 2.176 30 50 FEEA COc1ccccc1[C@@H](O)Cn1ccc2nc(OC)c(C#N)cc2c1=O 67787277 SQKNWDKHFUQJGJ-INIZCTEOSA-N 351.362 2.019 30 50 FEEA O=C(O)COc1ccccc1/C=N/n1c(-c2cccnc2)n[nH]c1=S 1240135 OVWYEDLENAASJY-GIJQJNRQSA-N 355.379 2.348 30 50 FEEA COc1cc(C#N)ccc1OC[C@H]1CCCN(C(=O)c2cccc(N)n2)C1 1857739115 DBUSJSMCSYLMKN-HNNXBMFYSA-N 366.421 2.475 30 50 FEEA COc1ccc([C@H]2C3=C(CC(C)(C)CC3=O)Nc3[nH]c(=O)[nH]c(=O)c32)cc1 949123 IBEHWIJZTXNDPW-AWEZNQCLSA-N 367.405 2.272 30 50 FEEA biogenic Cn1nc(-c2ccccn2)c2c1NC(=O)C[C@H]2c1cc(C#CCO)cs1 65404810 QXHCPRBYSAIYAU-ZDUSSCGKSA-N 364.430 2.362 30 50 FEEA CO[C@@H]1C[C@@H](c2nc[nH]n2)N(/C(O)=N/[C@H]2[C@@H]3c4ccccc4CC[C@H]32)C1 328975317 CPZISXQIHWLNOP-USACIQFYSA-N 353.426 2.209 30 50 FEEA Cn1cc(/C(O)=N/CC2CCN(C(=O)[C@@H]3CCc4cccnc43)CC2)cn1 329385961 PMVPRQPUKZSDDH-QGZVFWFLSA-N 367.453 2.088 30 50 FEEA Cc1ccccc1CN1CCN(C(=O)c2cnc(O)c(C#N)c2C)CC1 72431044 BEDXUGMVSPKHGB-UHFFFAOYSA-N 350.422 2.234 30 50 FEEA CCOC(=O)/C=N\OC[C@H](CC(=O)OC(C)(C)C)c1csc(N)n1 87492710 NPMRGRDGJFBTEQ-XCBDWFPESA-N 357.432 2.106 30 50 FEEA Cc1ccc(S(=O)(=O)/N=C(\O)N[C@H]2[C@H]3CC[C@@](C)([C@H]2O)C3(C)C)cc1 2012812 RMTYNAPTNBJHQI-LLDVTBCESA-N 366.483 2.373 30 50 FEEA investigational N#Cc1ccc(N2CC[C@H](N3C[C@@H]4CN5CCCC[C@H]5[C@@H]4C3)C2=O)cc1 252549668 RPEDYSZQWSRKQG-RNQOJCNYSA-N 350.466 2.080 30 50 FEEA OCC#Cc1csc(-c2cn(C[C@@H]3COc4ccccc4O3)nn2)c1 91304448 YXNACJRLFJACFF-CQSZACIVSA-N 353.403 2.190 30 50 FEEA Cn1c(CN2CCC(C#N)(c3ccccc3)CC2)nnc1[C@H]1C[C@@H](N)C1 252570452 WTTIZZBPHPHNND-WOVMCDHWSA-N 350.470 2.077 30 50 FEEA O=C1Oc2ccccc2C(=O)/C1=C/NCC1(N2CCOCC2)CCCCC1 828327199 IRUHQSTVIBLQPG-VKAVYKQESA-N 370.449 2.297 30 50 FEEA N#Cc1ccc(NC(=O)CCN2CC(=O)N[C@@H]3CCCC[C@H]32)cc1Cl 246741511 UZEUXEIGIKNGFI-HZPDHXFCSA-N 360.845 2.283 30 50 FEEA Nc1nc2nc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc(O)n2n1 3017125 BCKYJLYNJGWGHI-UHFFFAOYSA-N 369.147 2.337 30 50 FEEA C#CCCC1(CCC(=O)NCc2nnnn2-c2c(C)cccc2C)N=N1 2325893503 WFXPYMQDSGGDRU-UHFFFAOYSA-N 351.414 2.251 30 50 FEEA CN(C)C[C@@H](/C(Cc1ccccc1)=N\NC(=S)NN)c1ccccc1 5668216 WRKAJEFZCXGQOX-RTAFMGCNSA-N 355.511 2.268 30 50 FEEA C#CCCC1(CCC(=O)N2CCCN(c3ccccc3)S2(=O)=O)N=N1 2325901217 YHZWSVNPXKPZDA-UHFFFAOYSA-N 360.439 2.326 30 50 FEEA N#Cc1ccc(O[C@@H]2CCN(C[C@H]3CN(c4ccccc4)C(=O)O3)C2)nc1 292156194 KNTHFQMIPCJQBO-MSOLQXFVSA-N 364.405 2.432 30 50 FEEA C#CCCC1(CCC(=O)N2CCN[C@@H](Cc3cccc(OC)c3)C2)N=N1 2325892151 BLISTIZXPUGAKG-KRWDZBQOSA-N 354.454 2.394 30 50 FEEA Cc1ccc(/C=N/N2C(=O)[C@H]3[C@H]4C=C[C@@H]([C@H]5C[C@H]54)[C@H]3C2=O)cc1[N+](=O)[O-] 239403044 RLGVJTSLMWJIQA-PQTQVYOHSA-N 351.362 2.290 30 50 FEEA C#CCCC1(CCC(=O)NCCN2CCN(c3ccc(F)cc3)CC2)N=N1 952883661 YPNBTOWPBILBNT-UHFFFAOYSA-N 371.460 2.420 30 50 FEEA CC(C)(O)C#Cc1cccc(C(=O)N2CCC(N3CCSCC3)CC2)c1 952976673 GFYALYHNQCZAQJ-UHFFFAOYSA-N 372.534 2.462 30 50 FEEA C=CCNC(=O)c1ccc(Cn2ccn3nc4c(c3c2=O)CCCC4)cc1 169760215 GBKPMYIUZDRUBZ-UHFFFAOYSA-N 362.433 2.339 30 50 FEEA CC(C)c1noc([C@H](N/C(O)=N/C[C@@H]2CCCO2)C2CCOCC2)n1 328617260 COPOPEQVEZDRPK-UONOGXRCSA-N 352.435 2.343 30 50 FEEA Cc1ccc(C(=O)N2CCCn3nc(C#N)cc3C2)cc1NC(=O)C1CC1 65406014 BPUBSLMUBOVUDN-UHFFFAOYSA-N 363.421 2.458 30 50 FEEA C[C@@H]1c2ccccc2O[C@H]1C(=O)NS(=O)(=O)c1cccc(F)c1C#N 159976912 CPGVDWZUCGQURE-QLJPJBMISA-N 360.366 2.067 30 50 FEEA CC1(C)CC(=O)C=C(C(=O)N2CCC(Cn3cc(C4CC4)nn3)CC2)O1 48179250 MVDJITLNKGZJQF-UHFFFAOYSA-N 358.442 2.046 30 50 FEEA COC[C@H](NCc1cc(O)n2ncc(C#N)c2n1)c1ccccc1Cl 2325849980 HXVGLISNMGWAMM-HNNXBMFYSA-N 357.801 2.437 30 50 FEEA C#CCN1C(=O)S/C(=C/c2ccc(OCC(=O)O)c(OCC)c2)C1=O 2946430 AYOOVBWTDOQHAP-NTEUORMPSA-N 361.375 2.218 30 50 FEEA N#Cc1cc2n(n1)CCN(C(=O)c1ccc(-c3cncc4nc[nH]c34)cc1)C2 2356152570 PSHBJYHQIHDDHS-UHFFFAOYSA-N 369.388 2.349 30 50 FEEA N#Cc1ccnc(N2CCC(N3CCC[C@H](C(=O)N4CCCC4)C3)CC2)c1 71419260 UUAVXUDLVUCXSQ-SFHVURJKSA-N 367.497 2.256 30 50 FEEA C[C@@H]1CN(c2ccccc2Cl)C(=O)CN1C(=O)c1ccc(C#N)nc1 82139318 RUAGMRNGJVWQRH-GFCCVEGCSA-N 354.797 2.484 30 50 FEEA N#Cc1cccc(C(=O)N2CC[C@]3(CCCN(C4CCOCC4)C3=O)C2)c1 91768846 LWYVCYPELXSSLN-OAQYLSRUSA-N 367.449 2.192 30 50 FEEA CCS(=O)(=O)NC1CCN(c2cccc(Br)c2C#N)CC1 275931547 BXQDJEYAAFCQQS-UHFFFAOYSA-N 372.288 2.229 30 50 FEEA COc1ccc(-c2c(C#N)c(N)nc3sc(C(N)=O)c(N)c23)cc1OC 19782296 ZWLMGVUDHASCAP-UHFFFAOYSA-N 369.406 2.115 30 50 FEEA NC(=O)C1CCN(C(=O)c2cccc(C#CC3(O)CCCCC3)c2)CC1 4700811 ILGYWHBFEBAVHO-UHFFFAOYSA-N 354.450 2.071 30 50 FEEA CCOc1ccc(NC(=O)NCC2(CN3CCN(C)CC3)CC2)cc1C#N 299796380 MNDAHTFSEUWMSA-UHFFFAOYSA-N 371.485 2.106 30 50 FEEA CC(=O)N1C[C@H](NC(=O)c2cccc(CC#N)c2)CC[C@@H]1C(F)(F)F 886039471 IGEGNEOTJBYQDZ-HUUCEWRRSA-N 353.344 2.424 30 50 FEEA C=C(C)Cn1c(N/N=C/c2ccc(Cl)cc2)nc2c1c(=O)[nH]c(=O)n2C 4517954 KQGQYNPVKWHJBC-UFWORHAWSA-N 372.816 2.099 30 50 FEEA CCOC(=O)[C@@H]1C(=O)C=C(N2CCOCC2)C[C@@H]1c1cccc(OC)c1 1440881 NXVBLOXYDZFGOT-MJGOQNOKSA-N 359.422 2.147 30 50 FEEA C#CCN1C(=O)[C@](O)(CC(=O)c2cc(OC)ccc2OC)c2ccccc21 793332 JZCNRYLYFYXPFX-NRFANRHFSA-N 365.385 2.144 30 50 FEEA CCOC(=O)COc1ccc(Cl)cc1[C@H]1NC(=O)NC(C)=C1C(C)=O 4195564 CIUQZYGFLWIOOY-MRXNPFEDSA-N 366.801 2.499 30 50 FEEA C=CCCCn1cnc2c(=O)[nH]c(N(C)Cc3cccc(C)c3)nc(=O)c21 23478262 CQNVLULKSKZSMR-UHFFFAOYSA-N 365.437 2.391 30 50 FEEA Cn1c(CN2CCCCC2)nnc1C1CCN(c2cc(C#N)ccn2)CC1 77486819 CXPDCXRDGCOKSA-UHFFFAOYSA-N 365.485 2.452 30 50 FEEA C=CCC(O)(CC=C)CNC(=O)[C@@H]1CCC(=O)N(CCc2ccccc2)C1 15062929 AMLSASPXFHIZQV-LJQANCHMSA-N 370.493 2.467 30 50 FEEA CN(C)c1ccc(-c2nncn2/N=C/c2ccccc2OCC(=O)O)cc1 2544564 PXKPLGZOMZYJIG-SRZZPIQSSA-N 365.393 2.357 30 50 FEEA C=C(C)Cn1c(SCCc2ccccc2)nc2c1c(=O)n(C)c(=O)n2C 623400 KBEVMBVSFGOFEE-UHFFFAOYSA-N 370.478 2.345 30 50 FEEA COC(=O)c1cc(C#N)c(N2CCC[C@@H](Cn3ccnc3C)C2)nc1C 77554489 HSQXHEZCEWFJGB-HNNXBMFYSA-N 353.426 2.470 30 50 FEEA N#CCONC(=O)c1cc(-c2cccnc2)nc2c1cnn2Cc1ccco1 1875319818 UAZSJXUBPNYWHF-UHFFFAOYSA-N 374.360 2.320 30 50 FEEA C=CCN1C(=O)/C(=C\c2ccc(Br)cc2)C(=O)NC1=S 5061569 YNDRQSJWJKTOFC-FLIBITNWSA-N 351.225 2.262 30 50 FEEA C=C(Cl)CCC(=O)N(C)C[C@@H]1CN(c2cc(CC)ncn2)CCO1 2325867551 ZTJCIDGQQKFZNR-OAHLLOKOSA-N 352.866 2.235 30 50 FEEA Cn1c(SCC(=O)Nc2ccc(C#N)cc2)nnc1-c1ccncc1 3578133 LZKRRLVCKXMAEV-UHFFFAOYSA-N 350.407 2.480 30 50 FEEA C=CCn1c(COc2ccc3c(c2)CCCC3)nnc1SCC(N)=O 8784691 IDJZCFIEGCZVRR-UHFFFAOYSA-N 358.467 2.499 30 50 FEEA C=CCN1C[C@@H](C(=O)NCC2CCN(CCc3ccccc3)CC2)CC1=O 820474885 UWSMOPHAAWONIX-FQEVSTJZSA-N 369.509 2.092 30 50 FEEA C=CCN(Cc1ccc(C)s1)S(=O)(=O)N1CCC[C@H](C(=O)O)C1 1506417023 JWFGVEJKSDGCSC-ZDUSSCGKSA-N 358.485 2.086 30 50 FEEA N#Cc1cccc(CN2CCCN(C(=O)CN3CCCCCC3)CC2)c1 1529119602 KJYFWSCKILUJEJ-UHFFFAOYSA-N 354.498 2.469 30 50 FEEA CN(C)c1ccc(N[C@H]2CCCN(/C(O)=N/Cc3cnn(C)c3)CC2)cn1 328627633 GJLFAAZRQLKPGK-INIZCTEOSA-N 371.489 2.262 30 50 FEEA O=C1[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C[C@H]34)[C@H]2C(=O)N1N=Cc1cc2c(cc1Cl)OCO2 245226742 JTXWSZAFELZYOI-YCBBYDHLSA-N 370.792 2.456 30 50 FEEA CN(Cc1nc(O)c2sccc2n1)C(=O)c1ccc(C#CC(C)(C)O)o1 1506398183 NAXOOPOHXHPKCS-UHFFFAOYSA-N 371.418 2.385 30 50 FEEA Cc1cncc(C(=O)N2CCCN(Cc3ccc(C#CCO)cc3)CC2)c1 1800413383 FDFNDDMEDQKBGR-UHFFFAOYSA-N 363.461 2.082 30 50 FEEA N#Cc1cc(S(=O)(=O)N2CCC[C@@H](C(=O)O)C2)ccc1C(F)(F)F 262143990 FIOUOKSARQSQAO-SECBINFHSA-N 362.329 2.062 30 50 FEEA Cc1nc2cc(O)nn2c(C)c1CC(=O)N1c2cccc(C#N)c2C[C@@H]1C 2325810423 KKZBOULIBOOBSS-NSHDSACASA-N 361.405 2.444 30 50 FEEA N#Cc1ccc(-c2n[nH]cc2CN[C@@H]2C[C@H](Cn3cccn3)C[C@H]2O)cc1 2325849088 GGBCMGCQDWPNMX-KFKAGJAMSA-N 362.437 2.074 30 50 FEEA C#C[C@H](Cc1ccccc1)NC(=O)CN1CCN(C)c2cc(F)ccc21 2325863577 OQQUAWPHRABJHX-GOSISDBHSA-N 351.425 2.443 30 50 FEEA OCC#Cc1csc(CN(CCN2CCOCC2)Cc2ccco2)c1 55041895 JOLAPMYPJCDLFX-UHFFFAOYSA-N 360.479 2.019 30 50 FEEA COc1nccc(N2CCN(CCc3ccccc3)[C@@H](CCO)C2)c1C#N 106961096 UFYJKOCDOCZEJB-SFHVURJKSA-N 366.465 2.078 30 50 FEEA CNS(=O)(=O)c1ccc(-c2cc(-c3ccn(C)c3)nc(N)c2C#N)cc1 67490743 RSRAPZBNCIXTEL-UHFFFAOYSA-N 367.434 2.116 30 50 FEEA Cc1c(S(=O)(=O)N[C@H](C)c2nncn2C)sc2ccc(C#N)cc12 594749777 YVINVMWXRPAGAT-SNVBAGLBSA-N 361.452 2.249 30 50 FEEA C/N=C(/O)[C@H](O)CNC(=O)C1=NN(c2ccccc2)[C@@H](c2ccccc2)C1 328596228 XUVVTDHIKSYWKH-QZTJIDSGSA-N 366.421 2.057 30 50 FEEA CN(C[C@H]1CCc2nc(C(F)(F)F)cn2C1)/C(O)=N/Cc1cnn(C)c1 328623703 JICLCNVPQQLQNQ-LLVKDONJSA-N 370.379 2.244 30 50 FEEA CC(C)c1ccc(C#N)c(N2CCC3(CCC(=O)N(CCO)C3)CC2)n1 91550437 QEIKYUOQHPEGJM-UHFFFAOYSA-N 356.470 2.278 30 50 FEEA CC1CCN(c2nnc(SC[C@H](O)CC#N)n2C[C@H]2CCCO2)CC1 253425441 BZMKEEOYXZJVHN-HUUCEWRRSA-N 365.503 2.060 30 50 FEEA C[C@@H](O)C1CCN(C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3F)C2)CC1 159531790 IECTYJDPQFIWQJ-RHSMWYFYSA-N 374.460 2.469 30 50 FEEA Cc1cc(C)c(C#N)c(N2CCC[C@H](S(=O)(=O)NC3CCCC3)C2)n1 182561496 XOIBJQGHZVPRCL-INIZCTEOSA-N 362.499 2.401 30 50 FEEA C[C@@H](c1ccsc1)N1CCN(S(=O)(=O)c2ccc(C#N)nc2)CC1 183840283 KMXSOHAQNRTPQP-ZDUSSCGKSA-N 362.480 2.082 30 50 FEEA Cc1ccc(O[C@H]2CCN(S(=O)(=O)c3cccc(F)c3C#N)C2)cn1 328630255 PRDUTLFFOXYGHO-AWEZNQCLSA-N 361.398 2.243 30 50 FEEA COCc1cc(CN2CCN(c3ccc(C#N)cn3)CC2)ccc1OC 65408878 BJSNDAWSWCIOTJ-UHFFFAOYSA-N 352.438 2.430 30 50 FEEA N#Cc1ccc(N2CC[C@H](N3C[C@@H]4CN5CCCC[C@@H]5[C@@H]4C3)C2=O)cc1 252549667 RPEDYSZQWSRKQG-NBYUQASBSA-N 350.466 2.080 30 50 FEEA O=C(C#Cc1ccccc1)N1CC[C@]2(CCCN(Cc3cccnc3)C2=O)C1 39551311 FHUKQSJZAZHPKJ-HSZRJFAPSA-N 373.456 2.474 30 50 FEEA C[C@@H](CNC(=O)C1CC(c2cccc(F)c2)C1)N=c1[nH]nc(C#N)s1 1875405342 DGDKWWLWEDOADT-PKSQDBQZSA-N 359.430 2.081 30 50 FEEA CN1CCN(Cc2ccc(Cl)cc2B2OC(C)(C)C(C)(C)O2)CC1 169956049 PGFHVFUIEAGNKH-UHFFFAOYSA-N 350.699 2.387 30 50 FEEA Cc1cc(=O)c(/C(O)=N/[C@H]2CCN(C(=O)c3ccccn3)C2)cn1C1CC1 329317241 DCOUSJKHXKRZJW-AWEZNQCLSA-N 366.421 2.106 30 50 FEEA C=CCN1C(=O)/C(=c2/sc3nc4ccccc4n3c2=O)c2ccccc21 8656184 SFELURZQMYFJGY-WUKNDPDISA-N 359.410 2.360 30 50 FEEA C=CCC1(CC=C)CCCN1C(=O)C[C@H]1C(=O)NCCN1Cc1ccoc1 59429731 SJTZZYLDJKUYOM-SFHVURJKSA-N 371.481 2.484 30 50 FEEA N#Cc1cc(F)ccc1S(=O)(=O)N1C[C@@H](CO)[C@H](c2ccsc2)C1 188877006 UXLZVIHJSIJAHI-ZFWWWQNUSA-N 366.439 2.155 30 50 FEEA C=CCn1c(=O)c(C(=O)NCCCC)c(O)c2cc(OC)c(OC)cc21 170624600 WNKNUSHBXHVLFJ-UHFFFAOYSA-N 360.410 2.440 30 50 FEEA CCn1cc([C@H]2OCCC[C@@H]2/N=C(/O)c2cnc3[nH]c(O)nc3c2)cn1 329468785 XCKRBVNJSYQSAQ-GXTWGEPZSA-N 356.386 2.105 30 50 FEEA COc1ccc([C@@H]2CN(c3nc(C)ccc3C#N)C[C@H]2NC(C)=O)cc1 91289528 NIOSUYOHIIDDEP-RBUKOAKNSA-N 350.422 2.379 30 50 FEEA N#Cc1ccc(N2CCC(C(=O)N[C@H]3COCCC3(F)F)CC2)c(F)c1 1875307769 UTBPYUDROICAAJ-INIZCTEOSA-N 367.371 2.454 30 50 FEEA N#Cc1cc(C(=O)NCCc2nc(-c3ccc(Cl)cc3)n[nH]2)ccn1 1875379197 OXZLBTFYPLJBPZ-UHFFFAOYSA-N 352.785 2.364 30 50 FEEA NC(=O)c1ccccc1OC/C(O)=N/S(=O)(=O)c1ccc(Cl)cc1 1057354 XTLKDZSKKIFLKQ-UHFFFAOYSA-N 368.798 2.163 30 50 FEEA CC(=O)N1C[C@H](CC/C(O)=N/[C@H]2CC(=O)N(C(C)C)C2=O)c2ccccc21 329615398 KXANVZXNGZQDGN-HOCLYGCPSA-N 371.437 2.409 30 50 FEEA C=CCNC(=O)C1CCN(S(=O)(=O)Cc2ccccc2Cl)CC1 24607476 IICIDONVSTZCNG-UHFFFAOYSA-N 356.875 2.184 30 50 FEEA CC(C)(/N=C(/O)c1cccc(Cl)c1)c1noc([C@H]2C[C@H](O)CN2)n1 328629613 IKNAMHGTQGBYDL-NWDGAFQWSA-N 350.806 2.358 30 50 FEEA N#CC1(NC(=O)CN2CC[C@@H](c3ccccc3)[C@@H](CO)C2)CCCCC1 367531556 QSAIDEJMYMGGEP-MOPGFXCFSA-N 355.482 2.427 30 50 FEEA C#CCCC1(CCNC(=O)[C@H]2CC(c3cc(OC)ccc3OC)=NO2)N=N1 2325891521 MFBWEHVCXGFDFM-QGZVFWFLSA-N 370.409 2.279 30 50 FEEA N#C[C@@H]1C(=O)N=C(N2CCN(c3ccc(F)cc3)CC2)NC12CCCCC2 6703668 ZLBPOWHKTMAXTL-QGZVFWFLSA-N 369.444 2.276 30 50 FEEA N#C[C@]1(CO)CC12CCN(C[C@@H](O)COc1cccc(Cl)c1)CC2 1875281748 UOXXLNAYMGYBRU-QAPCUYQASA-N 350.846 2.068 30 50 FEEA C[C@H]1C=CC[C@]2(COS(C)(=O)=O)CCCC[C@]12COS(C)(=O)=O 101138262 YKJDYPVPSHJLEO-KKUMJFAQSA-N 366.501 2.082 30 50 FEEA Cc1n[nH]c(C)c1-c1cc(-c2cccc(OCC(N)=O)c2)c(C#N)c(N)n1 71614815 LVTLVDADAMLANW-UHFFFAOYSA-N 362.393 2.074 30 50 FEEA N#Cc1ccnc(N2CCC(c3n[nH]c(=O)n3Cc3ccccc3)CC2)c1 67787769 KAKPTHVIKYDWES-UHFFFAOYSA-N 360.421 2.270 30 50 FEEA Cc1ccccc1[C@H](C(=O)N1CCN(c2ccc(C#N)cn2)CC1)N(C)C 95366106 VHFZWLRZSNFMPJ-HXUWFJFHSA-N 363.465 2.213 30 50 FEEA C=CCCC(=O)N1CCC2(CCC(=O)N(Cc3cnc(C)cn3)C2)CC1 91492943 PMYZMWJTVLEMLQ-UHFFFAOYSA-N 356.470 2.482 30 50 FEEA C[C@H](OC(=O)c1cnnn1-c1ccccc1)C(=O)Nc1ccc(C#N)cc1 1875340901 YJZORRMSKLMJOW-ZDUSSCGKSA-N 361.361 2.323 30 50 FEEA N#C[C@H]1CN(C(=O)c2ccc(-c3noc(C(F)(F)F)n3)cc2)CCO1 170623034 VRUIPLBLZUMRED-NSHDSACASA-N 352.272 2.120 30 50 FEEA CCOC(=O)CSc1nc(N)c(C#N)c(-c2ccc(O)cc2)c1C#N 19805681 YSOFOSTZPKCUHB-UHFFFAOYSA-N 354.391 2.435 30 50 FEEA CNC(=O)c1ccc([C@H]2CCCCN2C/C(O)=N/Cc2cccnc2)n1C 328631520 KNOMGIFDCBOGNV-QGZVFWFLSA-N 369.469 2.463 30 50 FEEA N#Cc1ccc(O[C@H]2CCN(C(=O)c3cc(-n4cccc4)ccn3)C2)nc1 366390752 YYFDIMZINUZNKI-KRWDZBQOSA-N 359.389 2.432 30 50 FEEA CC(=O)NCc1cc(O[C@H]2CCN(Cc3ccc(C#N)s3)C2)ccn1 886072092 PACHGOIDZNEZBO-INIZCTEOSA-N 356.451 2.304 30 50 FEEA CCCN1CCC[C@@]2(CCCN2S(=O)(=O)c2cccc(C#N)c2)C1=O 2356166966 FMWRPTPMQWAUIF-GOSISDBHSA-N 361.467 2.114 30 50 FEEA COc1ccc(CN2CCN(C)[C@H](c3nc(C4CC4)no3)C2)cc1C#N 285544917 QFYVYGFHCKOVQM-INIZCTEOSA-N 353.426 2.316 30 50 FEEA Cc1ccc(S(=O)(=O)OCCOCCOCC(=O)OC(C)(C)C)cc1 96503344 NIPMXQFRYHXBAM-UHFFFAOYSA-N 374.455 2.075 30 50 FEEA in-vitro N#Cc1cccc(CNC(=O)NCCNc2nccc(C(F)(F)F)n2)c1 123768093 ZGEWSNKAUSEWHC-UHFFFAOYSA-N 364.331 2.278 30 50 FEEA COc1ccc2c(c1)OC[C@@H](CNC(=O)c1ccc(C#CC(C)(C)O)o1)C2 1506426681 IWQIRBPZMMKMGU-CQSZACIVSA-N 369.417 2.392 30 50 FEEA N#C[C@@H]1CN(C(=O)Cc2cn3ccccc3n2)CCN1Cc1ccccc1 364771138 STEWYTHJCIOXML-LJQANCHMSA-N 359.433 2.113 30 50 FEEA C/C(CCS(=O)(=O)c1ccc(Cl)c(Cl)c1)=N\NC(N)=S 4964312 WHLKNEIVOPYORZ-VIZOYTHASA-N 354.284 2.366 30 50 FEEA Cn1ccnc1[C@H](O)C1CCN(C(=O)CCc2ccc(C#N)cc2)CC1 124542802 AOCXLQFOXHETIJ-LJQANCHMSA-N 352.438 2.197 30 50 FEEA COC(=O)c1ccc(CSC(=S)N[C@@H]2CC[S@@+](=O)(O)C2)cc1 334158547 ULGNXXZCZMVHNU-GFCCVEGCSA-P 360.502 2.326 30 50 FEEA C[C@@H]1C[C@@H]2[C@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@H]3C(=O)C[C@]2(C)[C@]1(O)C(=O)CO 245219499 PIDANAQULIKBQS-OMRWIHGPSA-N 372.461 2.012 30 50 FEEA CN1C[C@]2(CCN(C(=O)c3cccc(-c4ccc(C#N)nc4)c3)C2)OC1=O 534646016 VCASVYKIUGEBLJ-FQEVSTJZSA-N 362.389 2.287 30 50 FEEA Cc1c([C@H](C)NC(=O)C2=CC(=O)CC(C)(C)O2)cnn1-c1ccccn1 12318972 OLYVMRDEBPLJGV-LBPRGKRZSA-N 354.410 2.405 30 50 FEEA CC(C)N1CCC(N2CCN(CC#Cc3ccccc3)C[C@@H]2CCO)CC1 22912093 VTBUZSCBFDQFAL-QHCPKHFHSA-N 369.553 2.280 30 50 FEEA CN(C)c1nc2c(s1)[C@H](c1ccc(C#CC(C)(C)O)cc1)CC(=O)NC2 65435646 NRXAOQPTYPHOFC-HNNXBMFYSA-N 369.490 2.483 30 50 FEEA C[C@@H]1O[C@H](C)Cc2c(C(=O)N3CC(Oc4ccc(C#N)cc4)C3)nn(C)c21 1875300059 JGKPDBQMFZJYPK-OLZOCXBDSA-N 366.421 2.217 30 50 FEEA CCc1nc(S[C@H](C)C(=O)Nc2ccccc2OC)[nH]c(=O)c1C#N 5239011 UHTKRMALKRIWCM-SNVBAGLBSA-N 358.423 2.332 30 50 FEEA C#CCCC1(CCNS(=O)(=O)c2ccc3c(c2)CCCC(=O)N3)N=N1 2325899836 ACUXKGCIYVVSPN-UHFFFAOYSA-N 360.439 2.205 30 50 FEEA CCc1noc(CC)c1CC(=O)N1CC[C@@H](Oc2ccc(C#N)cn2)C1 370665408 BGJCVQFKQGHJRI-CQSZACIVSA-N 354.410 2.288 30 50 FEEA Cc1ccc(/C=N/N2C(=O)[C@H]3[C@H]4C=C[C@H]([C@H]3C2=O)[C@@H]2C[C@@H]42)cc1[N+](=O)[O-] 253387528 RLGVJTSLMWJIQA-VNJOHLQSSA-N 351.362 2.290 30 50 FEEA COc1ccc(C/C(N)=N/OC(=O)Cc2ccc(OC)c(OC)c2)cc1 4184115 ROXKITDFSHAGTD-UHFFFAOYSA-N 358.394 2.313 30 50 FEEA biogenic N=C(O)N1CCC[C@H]1C(=O)N1CCC(/N=C(/O)C2CCCCC2)CC1 329952905 JBOPJTUGBWFLCK-HNNXBMFYSA-N 350.463 2.471 30 50 FEEA COc1ccc(S(=O)(=O)N/N=C\c2cc(Cl)ccc2O)c(OC)c1 17076017 FFFMYDGRXZWELM-MFOYZWKCSA-N 370.814 2.375 30 50 FEEA CCC(=O)NCc1ccncc1O[C@H]1CCN(c2ccc(C#N)nc2)C1 952849091 GSXLTXQHUGOGKB-KRWDZBQOSA-N 351.410 2.032 30 50 FEEA C=CCNC(=O)/C(=C\c1ccc(OC(C)=O)cc1)NC(=O)c1ccco1 12379994 CWRPPAHEQHPELN-FOWTUZBSSA-N 354.362 2.278 30 50 FEEA C=CCc1cc(C(=O)N2CC[C@@]3(CO)CCCN(C)[C@@H]3C2)ccc1OC 1704340908 XVIPIJAYSSDWSG-TZIWHRDSSA-N 358.482 2.343 30 50 FEEA CC(C)NC(=O)[C@@H](C#N)C(=O)[C@H]1COc2ccc(Br)cc21 136666103 SIVJEYQYHJSOGJ-RYUDHWBXSA-N 351.200 2.159 30 50 FEEA C=CCOc1ccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)CC)C2)cc1 65362465 CBNATVLXBUFCRL-CQSZACIVSA-N 352.456 2.252 30 50 FEEA C#Cc1ccc(C(=O)Nc2ccc(-n3ncc4c(O)ncnc43)cc2)cn1 728962304 NIENHFBUWZLQFW-UHFFFAOYSA-N 356.345 2.150 30 50 FEEA C=CCN1CCc2c(c(C(=O)NCC)nn2Cc2cccc(OC)c2)C1 14540858 MCWSNBHJUJFIFZ-UHFFFAOYSA-N 354.454 2.234 30 50 FEEA CN(CC1CCC(/N=C(/O)[C@@H]2CCCN2C)CC1)C(=O)[C@H]1CCCN1C 329305625 OWOROBOPCRFHDX-ZGUYJTEBSA-N 364.534 2.149 30 50 FEEA CN1CCc2nc(O)c(CNC(=O)c3ccc4[nH]cc(C#N)c4c3)cc2C1 2325856397 OBWFMODIVQCYMN-UHFFFAOYSA-N 361.405 2.058 30 50 FEEA N#Cc1cnn2c(=O)nc(SCc3cscc3Br)[nH]c12 2325863392 HZALUBMODXMOMU-UHFFFAOYSA-N 368.241 2.406 30 50 FEEA C=CCn1c(CN2CCC[C@H](c3nnc(CO)n3C)C2)nc2ccccc21 215543833 KNBNSGCVQHYYHT-HNNXBMFYSA-N 366.469 2.223 30 50 FEEA CC(C)O[C@@H]1C[C@@H](/N=C(/O)N2CC(=O)N(CC(F)(F)F)C2)C1(C)C 330113527 DAQBPFLIVNZTNF-GHMZBOCLSA-N 351.369 2.157 30 50 FEEA C[C@@]1(CNc2cnc(C#N)cn2)CCN(C(=O)c2conc2C2CC2)C1 2325841342 PHWDXGOLEZQCHU-SFHVURJKSA-N 352.398 2.178 30 50 FEEA C#CCCC1(CCNC(=O)CCCn2nnc(-c3ccccc3)n2)N=N1 2325891238 ZWYNHLUMXYQYPS-UHFFFAOYSA-N 351.414 2.202 30 50 FEEA N#C[C@H](c1nc2ccccc2nc1OCCO)S(=O)(=O)c1ccccc1 2496443 GVDLLUONXYQSES-MRXNPFEDSA-N 369.402 2.039 30 50 FEEA C[C@@H]1CN(c2ccc(C#N)cc2)C(=O)CN1C(=O)c1cn2ccsc2n1 82107945 HLJVBMJYXXZZDP-GFCCVEGCSA-N 365.418 2.145 30 50 FEEA C[C@H](C(=O)O)N1CC2(CCC1=O)CCN(Cc1cccc(C#N)c1)CC2 91445207 QJNSKJLYSSQIDN-OAHLLOKOSA-N 355.438 2.236 30 50 FEEA Cc1n[nH]cc1CN/C(O)=N/C[C@H]1CCc2nc(C(F)(F)F)cn2C1 328615360 AUOGFLGMJNJMCA-SNVBAGLBSA-N 356.352 2.200 30 50 FEEA C=CCC[C@H](CN1CCC(C(=O)O)CC1)Oc1ccnc(OC)c1C#N 72431300 SDJOYTZDVWEJMH-OAHLLOKOSA-N 359.426 2.472 30 50 FEEA C=C(C)CNC(=O)[C@H]1CCCN(C2CCN(Cc3ccncc3)CC2)C1 11664916 NGSAEUQWMQZPHC-IBGZPJMESA-N 356.514 2.450 30 50 FEEA C=C(C)Cn1c(N/N=C/c2ccccc2Cl)nc2c1c(=O)[nH]c(=O)n2C 4517959 IZWFSLWBCYJPLU-UFWORHAWSA-N 372.816 2.099 30 50 FEEA N#Cc1cc(N2C[C@@H]3C[C@H](C2)Cn2c3cccc2=O)c([N+](=O)[O-])cc1C#N 4088230 BMAFYQCEWBHPNE-DOMZBBRYSA-N 361.361 2.124 30 50 FEEA biogenic N#CC1(NC(=O)c2ccc3c(=O)n(Cc4ccco4)c(S)nc3c2)CC1 160966376 OYQZDFIHZPVVCV-UHFFFAOYSA-N 366.402 2.112 30 50 FEEA CN1CCN(CCc2cn3ncc(C#N)c3nc2-c2ccc(F)cc2)CC1 20218658 TWBDFOPPOGKEHE-UHFFFAOYSA-N 364.428 2.197 30 50 FEEA C[C@H]1C[C@@H]2[C@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@H]3C(=O)C[C@]2(C)[C@]1(O)C(=O)CO 245219498 PIDANAQULIKBQS-DICWAVDUSA-N 372.461 2.012 30 50 FEEA Cc1cc2nc3n(c(=O)c2n1CC(=O)Nc1cccc(C#N)c1)CCCC3 169777261 NWYYZOXFPMYVRV-UHFFFAOYSA-N 361.405 2.353 30 50 FEEA C=CCNC(=O)NC(=O)[C@H](C)N[C@@H]1CCO[C@H]1c1ccc(Cl)c(F)c1 248979575 FIOAXTQUGUZWTI-VQISRLSMSA-N 369.824 2.299 30 50 FEEA C=CCNC(=O)C[C@H]1C(=O)NCCN1Cc1ccc(-c2ccccc2)cc1 12002695 VCFLPFLJUGPROC-FQEVSTJZSA-N 363.461 2.346 30 50 FEEA Cc1cc2c(cc1-c1cc(-c3cc(C(=O)O)[nH]n3)nc(N)c1C#N)OCO2 71764941 BYBUXDFJXWAIHI-UHFFFAOYSA-N 363.333 2.328 30 50 FEEA Cc1ccc(C#N)c(N2CCC[C@@H](c3nnc(Cn4ccnc4)n3C)C2)n1 95375716 IXVDWVFPYCBDJR-MRXNPFEDSA-N 362.441 2.019 30 50 FEEA N#C[C@H]1CCCN(Cc2cc(-c3cnccn3)ccc2OCC(=O)O)C1 97604103 YBPDDWAUOJQZRM-CQSZACIVSA-N 352.394 2.343 30 50 FEEA Cc1cnc([C@H](C)CNC(=O)N2CCN(c3ncccc3C#N)CC2)s1 184430887 CRKKCPMIIMFFIW-CYBMUJFWSA-N 370.482 2.354 30 50 FEEA C[C@@H]1CN(c2ccc(C#N)cc2)C(=O)CN1C(=O)CSc1ccncc1 82115088 ZTISJMLLEUSROL-CQSZACIVSA-N 366.446 2.309 30 50 FEEA COc1cc(Cl)cc(/C=N/NC2=NS(=O)(=O)c3ccccc32)c1O 1022621 SBTSPSYZXVCPTH-CAOOACKPSA-N 365.798 2.127 30 50 FEEA COc1cc(/C=N/n2cnnc2)ccc1OCc1cccc(C(=O)O)c1 1177653 FIUTUFBXWCAPDN-ZVBGSRNCSA-N 352.350 2.446 30 50 FEEA COCC[C@H]1COCCN1C(=O)c1cccc(C#N)c1Br 331339848 RXGGIQURQJJEHY-LBPRGKRZSA-N 353.216 2.198 30 50 FEEA N#Cc1ccc2c(c1)CCC[C@H]2NC(=O)NCCc1nnc2n1CCC2 419471333 GVLYKBBCUYKBQF-MRXNPFEDSA-N 350.426 2.015 30 50 FEEA C=C(C)[C@H]1OCC[C@H]1CNC(=O)N1CCN(c2ccccc2C#N)CC1 331861468 KHYQXYIHOFBYTM-PKOBYXMFSA-N 354.454 2.371 30 50 FEEA Cn1c(=O)sc2cc(S(=O)(=O)Nc3ccc(CC#N)cc3)ccc21 1425217 MMTGOWDXTWGUTJ-UHFFFAOYSA-N 359.432 2.467 30 50 FEEA Cc1cc(C#N)nc(NC[C@@H]2CCCN(C3CC3)[C@H]2c2ccnn2C)n1 284811905 IWMLSQZUTXHSJF-KBXCAEBGSA-N 351.458 2.418 30 50 FEEA COc1ccc(N/N=C(/C#N)S(=O)(=O)c2nsc(C)c2C#N)cc1 5212080 ZACZWHZUNJGHST-AQTBWJFISA-N 361.408 2.055 30 50 FEEA COc1cc(C#N)ccc1OCC(=O)N1CCN([C@@H]2C[C@H]3CC[C@H]2C3)CC1 246962166 PQTXGIPJMBJEON-RYQLBKOJSA-N 369.465 2.278 30 50 FEEA COc1cccc([C@H]2C[C@H]2C(=O)NS(=O)(=O)c2cccc(F)c2C#N)c1 160032103 VAEJZPWGQVHWAO-ZIAGYGMSSA-N 374.393 2.315 30 50 FEEA CC[C@@H](NC(=O)c1ccc(C#CC(C)(C)O)o1)c1cn2cccnc2n1 1506416975 ZEWHRTGJAWDAQP-CQSZACIVSA-N 352.394 2.326 30 50 FEEA Cc1c(C#N)c(N2CCc3nc(C)n(C)c(=O)c3CC2)nc2ccccc12 1857674704 UNTOFVUFPWENIQ-UHFFFAOYSA-N 359.433 2.422 30 50 FEEA Cc1cc(Br)ccc1OCC(=O)O/N=C(\N)c1ccccn1 4682060 KMCRYDXRRRUYCT-UHFFFAOYSA-N 364.199 2.395 30 50 FEEA COC(=O)C1=C(C(=O)c2ccccc2)[C@H](c2ccccc2)N2N=CNC2=N1 4867992 AKMFLLMZWCKGPZ-KRWDZBQOSA-N 360.373 2.256 30 50 FEEA CC(C)c1cc(C(=O)NC2CCN(c3ncccc3C#N)CC2)n(C)n1 65403670 PCTTWMWXYINBFT-UHFFFAOYSA-N 352.442 2.209 30 50 FEEA C[C@@H](CNC(=O)N1CCO[C@@H](C#N)C1)Oc1ccccc1Br 175977938 NHGVJUCQKZHGQG-RYUDHWBXSA-N 368.231 2.150 30 50 FEEA N#CC1(c2ccccc2)CCN(C(=O)NCCN2CCCC[C@@H]2CO)CC1 426485634 MGUCKPGUIWJLGD-LJQANCHMSA-N 370.497 2.100 30 50 FEEA N#Cc1ccc(F)c(NS(=O)(=O)c2cnn(C3CCOCC3)c2)c1 903150177 NKSCMPKPVYHXQV-UHFFFAOYSA-N 350.375 2.046 30 50 FEEA COc1ccc(-c2c(C#N)c(N)nc3c2CNCC3)cc1CN1CCCC1 72146484 XPFAUZSEEIEZRF-UHFFFAOYSA-N 363.465 2.453 30 50 FEEA CCCCCCCn1c(Br)nc2c1c(=O)n(C)c(=O)n2C 96021576 DJLWERPXJYURCC-UHFFFAOYSA-N 357.252 2.167 30 50 FEEA C=CCN1CC[C@@]2(CCC1=O)CN(C1Cc3ccccc3C1)CCN2C 91440966 NYPNDSWFAKXPMW-QFIPXVFZSA-N 353.510 2.339 30 50 FEEA N#Cc1ccccc1S(=O)(=O)N1CCC[C@]2(CCC(=O)N(C3CC3)C2)C1 91951319 SEGBPAPGUNNCSQ-IBGZPJMESA-N 373.478 2.114 30 50 FEEA N#Cc1ccc(N2CCC(C(=O)NCc3cnc4n3CCCC4)CC2)nc1 1875254237 YLRTXIZWHGCQBJ-UHFFFAOYSA-N 364.453 2.019 30 50 FEEA Cc1noc(C)c1[C@H](C)C/N=C(/O)N1C[C@H](N2CCOCC2)C[C@H]1C 329235580 NPHKMJDTFKGQKK-XJKCOSOUSA-N 350.463 2.104 30 50 FEEA CC(=O)C1=C(O)C(=O)N(Cc2cccnc2)[C@H]1c1cccc([N+](=O)[O-])c1 1165638 XQQMFZRVCCMBGG-INIZCTEOSA-N 353.334 2.474 30 50 FEEA O/C(=N/C[C@@H]1COc2ccccc2O1)N[C@@H]1CCOC2(CCOCC2)C1 329949765 HMWMCCWVFZAMSA-HUUCEWRRSA-N 362.426 2.058 30 50 FEEA Cc1cc(NC(=O)N2CCN(c3ncccn3)CC2)c(C#N)cc1N(C)C 253425523 UOZUVTLFGNTABI-UHFFFAOYSA-N 365.441 2.077 30 50 FEEA CC(C)/N=C(/O)c1cnn2c1C[C@@H](CNC(=O)c1cccc(F)n1)CC2 328602486 BOYXAGAWWNMLNB-LBPRGKRZSA-N 359.405 2.123 30 50 FEEA C=CCn1cc(CN2CCN(c3nnc(C(F)(F)F)s3)CC2)cn1 820505359 RAXLSQHPBMWMTA-UHFFFAOYSA-N 358.393 2.262 30 50 FEEA N#Cc1cccc(C2(C(=O)N[C@@H]3C[C@H](Cn4ccnc4)C[C@H]3O)CCC2)c1 1875403413 WFBNRCBLLWWDIB-QXAKKESOSA-N 364.449 2.132 30 50 FEEA CO[C@@H]1C[C@@H](c2nc(C)c(C)[nH]2)N(C(=O)COc2ccc(C#N)cc2)C1 888103184 NHOYOCJTNGIBMG-SJORKVTESA-N 354.410 2.266 30 50 FEEA CCC[C@]1(C(=O)O)CCN(Cc2ccc(C#CC(C)(C)O)cc2)C[C@@H]1O 1704309932 TXPAODYRZUCOBN-RXVVDRJESA-N 359.466 2.247 30 50 FEEA N#CCCN(Cc1ccccc1)[C@@H](CO)CC(=O)NCc1ccccc1 22017403 KOTMNWJINZJIRO-HXUWFJFHSA-N 351.450 2.470 30 50 FEEA CC1=CCN(S(=O)(=O)c2cccc(C(=O)N3CCC(C#N)CC3)c2)CC1 215572028 ZIEZBISSYPSYAA-UHFFFAOYSA-N 373.478 2.403 30 50 FEEA N#Cc1cccc(N2CCCn3nc(CCC(=O)N4CCCC4)cc3C2)n1 82121362 ZUGOBGBHJVWREX-UHFFFAOYSA-N 364.453 2.115 30 50 FEEA CCn1cc(CN2CCN(C(=O)c3cccc(OC)c3)CC2)cc1C#N 72125559 XPQNTKHLVGFFDM-UHFFFAOYSA-N 352.438 2.346 30 50 FEEA Cc1cc(C)n(CCNC(=O)CC2=C(c3ccccc3)CCC2=O)c(=O)n1 827801514 OJXMMSBWWQUBFI-UHFFFAOYSA-N 365.433 2.183 30 50 FEEA Cc1nnc(NC(=S)/N=C/c2ccc(Br)cc2)nc1O 5401702 FHMMBAGVLKHYGF-MKMNVTDBSA-N 352.217 2.464 30 50 FEEA C[C@H]1CCCCN1S(=O)(=O)NCc1ncc(-c2cccc(C#N)c2)[nH]1 329797537 XFVQIKIYGYAQBR-ZDUSSCGKSA-N 359.455 2.157 30 50 FEEA CC(C)(O)C#Cc1ccc(C(=O)NCCc2noc(C3CCCC3)n2)o1 215338196 YFTYDAISSAGKJR-UHFFFAOYSA-N 357.410 2.415 30 50 FEEA C=CCn1ncc(CN2CCCN(C(=O)c3cncc(F)c3)CC2)c1C 1800411700 LVBZFTHZRMAOKR-UHFFFAOYSA-N 357.433 2.260 30 50 FEEA N#Cc1ccccc1C(=O)N1C[C@@H]2CC[C@H](C1)C(=O)N2Cc1cscn1 247692149 WXZUYDMCPCZXLA-ZBFHGGJFSA-N 366.446 2.278 30 50 FEEA C/C(=N\OCC(=O)OCCCCn1ccnc1)c1ccc2c(c1)OCO2 2325779434 CLBRJACQLGZPAI-XSFVSMFZSA-N 359.382 2.376 30 50 FEEA N#Cc1ccnc(N2CCC(Cc3n[nH]c(=O)n3-c3ccccc3)CC2)c1 67920673 AJUJVDQNRRDNOJ-UHFFFAOYSA-N 360.421 2.286 30 50 FEEA Cn1nc([C@H]2CCCN(c3cc(C#N)ccn3)C2)n(-c2ccccc2)c1=O 71279039 HRQUXBRKQOJELR-INIZCTEOSA-N 360.421 2.222 30 50 FEEA OCCC#Cc1ccc(CN2CCC[C@H](N3CCC(CO)CC3)C2)cc1 23360558 NCENVRKXBNYOSF-QFIPXVFZSA-N 356.510 2.089 30 50 FEEA C=CC(=O)N1CCC(C(=O)N2CCC(Oc3ccc(C#N)cc3)CC2)CC1 2325883920 PIUDUAKYEQCGJD-UHFFFAOYSA-N 367.449 2.353 30 50 FEEA O=C(O)c1ccccc1N[C@H]1C=CC(=O)[C@H]1Nc1ccccc1C(=O)O 4663743 VUEWEFGPBIWPIJ-RDJZCZTQSA-N 352.346 2.483 30 50 FEEA N#Cc1ccc(NC[C@H](C(=O)N2CCC=C(F)C2)C2CCOCC2)nc1 952849048 FIQXMLSERPHDLN-KRWDZBQOSA-N 358.417 2.494 30 50 FEEA CC(=O)N1C[C@H](NC(=O)Cc2ccc(C#N)cc2)CC[C@H]1C(F)(F)F 886038152 NZVVRCPFMLSNTO-CABCVRRESA-N 353.344 2.159 30 50 FEEA CN(C)[C@@H](CNC(=O)N1CCO[C@@H](C#N)C1)c1cccc(C(F)(F)F)c1 187468257 QYZNUZCFMQBMMP-GJZGRUSLSA-N 370.375 2.242 30 50 FEEA Cc1sc(=O)n(CC(O)=Nc2cn(C)cc(Br)c2=O)c1C 329461666 PXRQILPXJOVHND-UHFFFAOYSA-N 372.244 2.276 30 50 FEEA COc1ccc(C)cc1[C@H](C(=O)O)N1CCN(c2ncccc2C#N)CC1 55306891 RXINNIWVVDIMDE-GOSISDBHSA-N 366.421 2.218 30 50 FEEA N#Cc1ccc(N2CCN(C(=O)N[C@@H]3CCC[C@H]4OCC[C@H]34)CC2)c(F)c1 151561837 HWJJCLXPUISDPW-SZVBFZGTSA-N 372.444 2.487 30 50 FEEA N#CC1(OCCS(=O)(=O)NC2CC3(CCOCC3)C2)CCCCC1 2325782527 DMMZPGLMHWGNSR-UHFFFAOYSA-N 356.488 2.108 30 50 FEEA COC[C@H]1[C@@H](NC(=O)CC2=C(c3ccccc3)CCC2=O)[C@@H]2CCO[C@@H]21 220492367 KQBUKNGBJQUFMW-OQRYQMPQSA-N 355.434 2.359 30 50 FEEA C#CCOc1cc(C(=O)N2CCC(Cn3ccnc3)CC2)ccc1OC 584900753 SVAPDCBYAMPZAU-UHFFFAOYSA-N 353.422 2.456 30 50 FEEA C#CCOc1cc(C(=O)NC[C@H]2CC(=O)N(C3CCCC3)C2)ccc1OC 670466592 UELKMEZCONUYDX-OAHLLOKOSA-N 370.449 2.228 30 50 FEEA N#Cc1cccc([C@@H]2C[C@@H]2C(=O)NS(=O)(=O)Cc2ccccc2C#N)c1 170650451 RVVZWFHKWXTEDV-ROUUACIJSA-N 365.414 2.180 30 50 FEEA Cc1nn(CC(=O)Nc2cccc(I)c2)cc1C#N 225544708 WDMSJEBXFFGWOT-UHFFFAOYSA-N 366.162 2.307 30 50 FEEA C=CCNS(=O)(=O)c1ccc(SC)c(C(=O)N2CCCCC2)c1 16651253 GHKDODPGMQSNJF-UHFFFAOYSA-N 354.497 2.499 30 50 FEEA N#Cc1cnn(C2CCOCC2)c1NS(=O)(=O)c1cccc(F)c1 427802143 VUQSKWVJHPEPDS-UHFFFAOYSA-N 350.375 2.046 30 50 FEEA C=CCn1c(S)nc2cc(C(=O)N[C@@H]3CCC[C@@H]3OC)ccc2c1=O 163429992 FYSRJDLVONNIDR-HIFRSBDPSA-N 359.451 2.169 30 50 FEEA CCCCCCCCn1c(SC[C@@H](C)O)nc2c1c(=O)[nH]c(=O)n2C 8396868 QXYLTEIIUDQNEW-GFCCVEGCSA-N 368.503 2.257 30 50 FEEA CC[C@H](/N=C(/O)[C@@H]1CCC(=O)N1C)[C@@H]1CN(Cc2ccccc2)CCO1 329585960 YHUJQQVHVGEWFX-BZSNNMDCSA-N 359.470 2.243 30 50 FEEA CC(C)[C@](C)(C#N)NC(=O)CN1CCN(c2ccc(C#N)cc2Cl)CC1 331290773 KCGFHYSYLPIERM-IBGZPJMESA-N 373.888 2.388 30 50 FEEA N#Cc1ccc(O)c(-c2cccc(C(=O)N3CCN(CCCO)CC3)c2)c1 426474284 NWWDYZVJCFFETI-UHFFFAOYSA-N 365.433 2.071 30 50 FEEA CC#CCN1C(=O)N[C@@](CCCc2ccccc2)(C2CCNCC2)C1=O 299755771 DIYQIPSGHJHBLO-NRFANRHFSA-N 353.466 2.323 30 50 FEEA C=CCC(C)(C)NC(=O)c1ccc2c(c1)S(=O)(=O)N(C(C)C)C2=O 2325797697 MZDSSWDRPBQMMA-UHFFFAOYSA-N 350.440 2.324 30 50 FEEA C#CCCC1(CCNC(=O)[C@@]2(Cc3ccccc3)CCN(C)C2=O)N=N1 2325891525 MTIHYMPSPFSWQH-IBGZPJMESA-N 352.438 2.159 30 50 FEEA C=C(C)COc1cccc(C(=O)N2CCCN(C(=O)[C@@H]3CCCO3)CC2)c1 55166541 JQQHKQKOQQONRL-IBGZPJMESA-N 372.465 2.495 30 50 FEEA N#Cc1ccc(N2CCN(C(=O)CCN3CCCCCCC3)CC2)nc1 55228305 HTOXGCXFUZHEHF-UHFFFAOYSA-N 355.486 2.258 30 50 FEEA N#Cc1c(N)nc2c(c1-c1ccc(CO)o1)CCc1occ(C(=O)O)c1-2 71752060 MRIIKUOGBZWXLH-UHFFFAOYSA-N 351.318 2.345 30 50 FEEA COc1ccc([C@@H]2Nc3ccccc3C(=O)N2O)cc1CN1CCOCC1 19850662 CJZSBUJKCKLZKO-LJQANCHMSA-N 369.421 2.483 30 50 FEEA N#Cc1ccc(O[C@H]2COCC[C@@H]2NC(=O)c2ncc(F)cc2F)cc1 1565516776 DNGZPPIULZEJDX-HOTGVXAUSA-N 359.332 2.198 30 50 FEEA N#Cc1cc(CN2CCCN(C(=O)COc3cccc(F)c3)CC2)c[nH]1 1775984133 IAWBCGJCOLAEOI-UHFFFAOYSA-N 356.401 2.139 30 50 FEEA C#CC(C)(C)OC[C@@H](O)CN1CCN(Cc2ccc(Cl)cc2)CC1 22916849 JUTHJVCZRGYUPJ-SFHVURJKSA-N 350.890 2.247 30 50 FEEA Cc1nn(C)c(C)c1[C@H]1[C@H](CNc2ccc(Cl)c(C#N)n2)CC(=O)N1C 328615119 XRRKEPFLUQMZNA-KPZWWZAWSA-N 372.860 2.589 30 50 FEEA O/N=C(\c1ccccc1)[C@]12[C@H]3[C@@H]4[C@@H]1[C@@H]1[C@@H]2[C@@H]3[C@]1(Br)C41OCCO1 253388592 WTEAORZRLOVQJG-QBYBQGSPSA-N 374.234 2.493 30 50 FEEA CC#CC(=O)N1CCC2(CC1)C[C@H]2C(=O)N1CCN(C2CCCCC2)CC1 299757026 HDGBMLIBHANKJS-IBGZPJMESA-N 371.525 2.115 30 50 FEEA Cc1c(S(=O)(=O)N[C@@H](C)c2nncn2C)sc2ccc(C#N)cc12 594749776 YVINVMWXRPAGAT-JTQLQIEISA-N 361.452 2.249 30 50 FEEA CN([C@@]1(C#N)CCOC1)S(=O)(=O)c1cc(F)cc(C(F)(F)F)c1 2325771106 RLZKTVZXYSNBID-GFCCVEGCSA-N 352.309 2.148 30 50 FEEA Cc1c([C@H]2[C@H](CNc3ncc(C#N)cc3Cl)CC(=O)N2C)cnn1C 328613738 TZOALVLCOMHHIB-BLLLJJGKSA-N 358.833 2.280 30 50 FEEA CO[C@@H]1C[C@@H](c2nc(C3CC3)n[nH]2)N(CCOc2cccc(C#N)c2)C1 284857763 OVOZFICWEFPTPT-SJORKVTESA-N 353.426 2.395 30 50 FEEA Cc1ccnc(N2CCN(S(=O)(=O)c3cccc(C)c3C#N)CC2)c1 151306158 OEWSHKRXCMXHKX-UHFFFAOYSA-N 356.451 2.081 30 50 FEEA Cn1cc(C#N)cc1C(=O)N1CCC[C@H](CNC(=O)Cc2cccs2)C1 952874129 WYOURZRKOJJUEK-CQSZACIVSA-N 370.478 2.169 30 50 FEEA C=CCN(Cc1cccc(OC)c1)S(=O)(=O)N1CCC[C@H](COC)C1 952966282 HWLKCJLYKXEPCN-KRWDZBQOSA-N 368.499 2.286 30 50 FEEA CC(=O)N[C@]1(c2nc(C)cs2)CCN(Cc2cc(C#N)n(C)c2C)C1 886068784 RFLAUEPLEJZSEG-GOSISDBHSA-N 357.483 2.207 30 50 FEEA N/C(=N\OC(=O)c1ccc(Br)o1)c1cccc([N+](=O)[O-])c1 4685115 UPGPPKGSADSKQC-UHFFFAOYSA-N 354.116 2.428 30 50 FEEA C#CCCC1(CCC(=O)NC2CCN(c3ncnc4c3CCC4)CC2)N=N1 2325900108 LCPBPFPIJQBLLB-UHFFFAOYSA-N 366.469 2.406 30 50 FEEA N#C[C@@H]1C(=O)NC(N2CCN(c3ccccc3)CC2)=NC12CCCCC2 4080138 WTPCNJYZYTZVHC-QGZVFWFLSA-N 351.454 2.137 30 50 FEEA CN(C)c1ccc(N[C@@H]2CCCN(/C(O)=N/Cc3ccnn3C)CC2)cn1 328646491 SOTAEDXGZAYPJX-OAHLLOKOSA-N 371.489 2.262 30 50 FEEA C=CCN(CCC)C(=O)C[C@@H]1COc2ccc(C(=O)N(C)C)cc2N1C 71765608 JXDNBYQWOFHBDR-MRXNPFEDSA-N 359.470 2.400 30 50 FEEA C=CCN1CC[C@@]2(CCC1=O)CN(Cc1c[nH]c(CCCC)n1)CCN2C 95368915 QAOZYIDFCYNACC-NRFANRHFSA-N 373.545 2.437 30 50 FEEA CCCN1CCc2nc[nH]c2C12CCN(C(=O)c1ccc(C#N)nc1)CC2 95512011 JWDSARRTFQZMON-UHFFFAOYSA-N 364.453 2.076 30 50 FEEA C[C@H](Oc1ccccc1C#N)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)O 299747432 CZJNSFPNSVQNRF-SUMWQHHRSA-N 350.374 2.364 30 50 FEEA N#Cc1cccc(CS(=O)(=O)NC(=O)c2ccc(C(F)(F)F)cn2)c1 750420160 YLSOWRZNSMCETD-UHFFFAOYSA-N 369.324 2.232 30 50 FEEA NC(=O)c1ccc(N2CC(=O)C(c3nc4ccccc4s3)=C2N)cc1 3252717 GMNUWQBFYIKJKV-UHFFFAOYSA-N 350.403 2.112 30 50 FEEA N#Cc1ccsc1C(=O)N1CCO[C@H](c2ccnc(N3CCCC3)n2)C1 328632779 SEFHGVHWLMXFEQ-HNNXBMFYSA-N 369.450 2.224 30 50 FEEA C=C(Br)CN(C)CCN(C)C(=O)c1ccn2ccnc2c1 2325868424 ZBWHJBXWQXTVBZ-UHFFFAOYSA-N 351.248 2.247 30 50 FEEA Cc1ccc(S(=O)(=O)O[C@@H]2[C@@H]3[C@@H](C#N)[C@H]4[C@H]5C[C@H]6O[C@@H]([C@H]53)[C@H]2[C@H]64)cc1 257359053 YBIUGCWLAQFQCH-VWDZJSARSA-N 357.431 2.118 30 50 FEEA COc1ccc(CN2CCn3nc(C#N)cc3C2)cc1CN1CCCC1 670465104 RNNKPGIVGHSJPQ-UHFFFAOYSA-N 351.454 2.375 30 50 FEEA C=CCC(=O)N1[C@H]2CC[C@@H]1CN(C(=O)c1cc3ccccc3c(O)n1)C2 2325878626 WJZZGEFMHGVYLH-GASCZTMLSA-N 351.406 2.332 30 50 FEEA COc1nccc(N2CCN(Cc3ccccc3F)[C@H](CCO)C2)c1C#N 72480870 QYPYAPMKISAPRK-MRXNPFEDSA-N 370.428 2.174 30 50 FEEA CS(=O)(=O)c1ccc(-n2nc(C(F)(F)F)c(C#N)c2Cl)nc1 38874610 SUPWBVKLOCJLQT-UHFFFAOYSA-N 350.709 2.215 30 50 FEEA N#Cc1ccc(C(=O)N2CCC3(CC2)CC(=O)N(C[C@@H]2CCCO2)C3)cc1 95378162 VQKJLBJCFYPVEI-SFHVURJKSA-N 367.449 2.192 30 50 FEEA COCCCN1CCC[C@]2(CCN(c3nc(C)cc(C)c3C#N)C2)C1=O 91643787 UBBRTVTYMJZJHY-HXUWFJFHSA-N 356.470 2.426 30 50 FEEA CN1CCN(C(=O)CC2CCN(Cc3ccc(C#N)c(F)c3)CC2)CC1 192103850 WQQNHWVGLOOTIE-UHFFFAOYSA-N 358.461 2.073 30 50 FEEA OCC#Cc1csc(CN2CCN3[C@H](COC[C@H]3c3ccccc3)C2)c1 1616080259 NMXONPSZSCRDRT-FPOVZHCZSA-N 368.502 2.350 30 50 FEEA Cc1cc(C)c(C#N)c(N2CCC[C@@](O)(Cc3nc(C4CC4)no3)C2)n1 818144136 COWWKZJEXWZSSV-LJQANCHMSA-N 353.426 2.405 30 50 FEEA Cc1noc(C/N=C(/O)N(C)C[C@H]2CCc3nc(C(F)(F)F)cn3C2)n1 328636011 VHKLXJQLMYPZAR-SNVBAGLBSA-N 372.351 2.202 30 50 FEEA Cn1nc(-c2ccccn2)c2c1NC(=O)C[C@@H]2c1cc(C#CCO)cs1 65404811 QXHCPRBYSAIYAU-CYBMUJFWSA-N 364.430 2.362 30 50 FEEA CC(=O)c1csc(NC(=O)C2CCN(c3oc(C)nc3C#N)CC2)n1 276414998 BQEZLUDZHJYSSQ-UHFFFAOYSA-N 359.411 2.369 30 50 FEEA CC(C)C[C@]1(CO)CCCN1/C(O)=N/[C@@H]1CCCC[C@H]1S(C)(=O)=O 331170272 VIGABWUNVAJPIJ-INMHGKMJSA-N 360.520 2.129 30 50 FEEA C[C@H](C(=O)O)N1CC2(CCC1=O)CCN(Cc1ccccc1C#N)CC2 91847263 PPSXHWODTYVXDZ-OAHLLOKOSA-N 355.438 2.236 30 50 FEEA CC1(C)OB(c2ccc(N3C(=O)[C@@H]4[C@H]5C=C[C@@H](C5)[C@H]4C3=O)cc2)OC1(C)C 242648964 RMWHXARBVKENMV-WRFANHODSA-N 365.238 2.297 30 50 FEEA Cc1cnc([C@@H](C)CNC(=O)N2CCN(c3ccc(C#N)cn3)CC2)s1 184471067 RDSRSCIEVBUQOK-ZDUSSCGKSA-N 370.482 2.354 30 50 FEEA N#Cc1ccc(CSCC(=O)N[C@@H]2C(=O)NCc3ccccc32)cc1 1875347135 IHHFGEQGIMSWJL-SFHVURJKSA-N 351.431 2.279 30 50 FEEA Cc1ccc(S(=O)(=O)OCOS(=O)(=O)c2ccc(C)cc2)cc1 1571937 LEXULLPDKRNGQG-UHFFFAOYSA-N 356.421 2.372 30 50 FEEA in-vitro N#Cc1cnc(N2CCC[C@H]2c2nc(C(=O)NC3CC3)no2)c(Cl)c1 328618576 DXBARHWUJAVHFK-LBPRGKRZSA-N 358.789 2.223 30 50 FEEA CN(C)Cc1cccc(/C(O)=N/C2CC(N(CC(=O)O)CC3CC3)C2)c1 328637215 OLULAINJNHVLJL-UHFFFAOYSA-N 359.470 2.380 30 50 FEEA C[C@](C#N)(CCc1ccccc1)NC(=O)[C@H]1CS[C@]2(C)CCC(=O)N12 245987056 HRDOTFVEJSQNFJ-ATZDWAIDSA-N 357.479 2.472 30 50 FEEA C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)NCc1ccc(F)c(F)c1 268112589 AYTOBRGAKPJWJF-LBPRGKRZSA-N 372.379 2.047 30 50 FEEA O=C1[C@H]2[C@H]3C=C[C@H]([C@H]2C(=O)N1N=Cc1cc2c(cc1Cl)OCO2)[C@@H]1C[C@@H]31 245226740 JTXWSZAFELZYOI-GQYKBVJTSA-N 370.792 2.456 30 50 FEEA N#Cc1ccc(N2CCC[C@@H]2C(=O)N=[S@@]2(=O)CC[C@]3(CCCN3)C2)cc1 1875405393 FPRGTMSOMBMEMO-MIRXNBLZSA-N 372.494 2.048 30 50 FEEA Cc1nc(C#N)cc(=NC[C@@H]2CC(C)(C)CC[C@@H]2NC(=O)[C@H]2C[C@@H]2C)[nH]1 1875408024 MRAJFIXHYKLHKP-CSFVBSKPSA-N 355.486 2.458 30 50 FEEA CC(=O)NC[C@H]1CCn2ncc(C(=O)Nc3cc(C#N)ccc3C)c2C1 277452629 PNKVUVMYSQIPDL-HNNXBMFYSA-N 351.410 2.014 30 50 FEEA CCOc1ccc([C@@H]2CC(=O)NC3=C2C(=O)[C@@H](C(=O)OC)[C@H](C)C3)cc1 6819962 CVMLNRLIEXHGDU-WHCBVINPSA-N 357.406 2.341 30 50 FEEA CCOC(=O)N1CCc2nc(N)c(C#N)c(-c3cn(CC)nc3C)c2C1 72161966 ZANRXAFTPHZSTM-UHFFFAOYSA-N 354.414 2.242 30 50 FEEA CN1CCN(C[C@H](C#N)[C@H](O)c2cc(-c3ccccc3Cl)on2)CC1 96316075 SPNKJTWDXPBXOO-UGSOOPFHSA-N 360.845 2.416 30 50 FEEA N#Cc1ccc(CS(=O)(=O)CC(=O)N[C@@H]2C[C@H]3C[C@H]2[C@@H]2CCC[C@H]32)cc1 247656082 PHFLLIBTCDYGSH-IEWDOMPSSA-N 372.490 2.414 30 50 FEEA Cc1nsc(N2CCC[C@H](c3n[nH]cc3CN3CCOCC3)C2)c1C#N 377157987 NHXNZKGUEBSMKY-AWEZNQCLSA-N 372.498 2.263 30 50 FEEA CN(C)CC#CCNC(=O)c1nc(-c2cccs2)n(-c2ccccc2)n1 1454641081 USRKVANBCRCTBI-UHFFFAOYSA-N 365.462 2.291 30 50 FEEA N#Cc1cccnc1N1CCCCN2CCCC[C@H]2CC(=O)NCCC1 2100533840 HTKJVJMJHDRJBH-SFHVURJKSA-N 355.486 2.304 30 50 FEEA C#CCCC1(CC(=O)N2CCN(C(=O)OCc3ccccc3)CC2)N=N1 2325899974 GUVRZNNXQVBAQK-UHFFFAOYSA-N 354.410 2.433 30 50 FEEA C=CCn1nc(C(=O)O)c2c1CC[C@H](N(C)Cc1c(C)nn(C)c1C)C2 67872361 QBVIXFGVQRMMOP-AWEZNQCLSA-N 357.458 2.107 30 50 FEEA C=CC[N@@+]12[C@H]3C[C@@]45c6ccccc6N(C)[C@H]4[C@@H]1C[C@H]([C@@H]3[C@@H]5O)[C@H](CC)[C@H]2O 252461274 LSVIWPNZJIGKRQ-KOOTVNFASA-N 367.513 2.255 30 50 FEEA biogenic C#CCCC1(CCC(=O)NC2CCN(c3cc(CC)ncn3)CC2)N=N1 952879739 HASPJQZXRDVDAY-UHFFFAOYSA-N 354.458 2.480 30 50 FEEA C[C@@H]1O[C@H](C)[C@H](C(=O)N[C@@H]2C[C@H](N=c3ccc(C#N)c[nH]3)C2(C)C)[C@@H]1C 1875405314 COGIHWODIIYVNW-YECKLCGGSA-N 356.470 2.130 30 50 FEEA N#Cc1cccnc1N1CCC(NC(=O)c2nnc(O)c3ccccc23)CC1 1506418064 UVWOSKPEAMVNJG-UHFFFAOYSA-N 374.404 2.001 30 50 FEEA C#CCCC1(CCNC(=O)c2c(C)nn(C)c2-n2ccnc2CC)N=N1 2325900191 OIGYOZSDWZYGGL-UHFFFAOYSA-N 353.430 2.172 30 50 FEEA Cc1nn(Cc2cccc(Cl)c2)cc1C(=O)N[C@H]1CCCN(O)C1=O 1875266957 HXRAFBLAVUYCSI-HNNXBMFYSA-N 362.817 2.003 30 50 FEEA COc1ccc([C@H]2CN(C(=O)c3ccccc3C#N)C[C@@H]2NC(C)=O)cc1 1565512496 WRMCVZJDQHLVEC-UXHICEINSA-N 363.417 2.311 30 50 FEEA C[C@H]1N(S(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)CCC12CCOCC2 408211648 QGQFVGZWMUMOIP-GFCCVEGCSA-N 365.411 2.046 30 50 FEEA CC(=O)Nc1cccc(/C(C)=N/O[C@@H]2CCCN(c3ccn(C)n3)C2=O)c1 170642602 DFHRFZBGESZYFZ-NEIHUHTASA-N 369.425 2.315 30 50 FEEA C#CCCC1(CCC(=O)NC[C@@H](Cc2ccccc2OC)C(=O)OC)N=N1 2325892445 NRXYWIAEDXLFOU-MRXNPFEDSA-N 371.437 2.499 30 50 FEEA CN(C/C(O)=N/Cc1ccco1)C[C@@H]1CCCN(C)[C@H]1c1cnn(C)c1 328644586 RWONMQZSZWFOLT-HNAYVOBHSA-N 359.474 2.485 30 50 FEEA Cn1c(CN2CCCCC2)nnc1[C@H]1CCCN(c2ccc(C#N)cn2)C1 72431571 JZTNOHACZMVLBT-KRWDZBQOSA-N 365.485 2.452 30 50 FEEA C[C@@H]1CN(Cc2csc(NC(=O)c3ccnc(C#N)c3)n2)C[C@@H](C)O1 192842997 NBUHLFSJUBKZAG-VXGBXAGGSA-N 357.439 2.271 30 50 FEEA O=C([C@@H]1CC=CC[C@@H]1/C(O)=N/[C@H](CO)c1ccsc1)N1CCOCC1 329379993 NHNCGQGGXFUWAZ-ARFHVFGLSA-N 364.467 2.179 30 50 FEEA C=CCn1nc(C(=O)N2CCOCC2)c2c1CC[C@H](N1CCC(C)CC1)C2 14741889 NPQQPLQTDSAVAP-KRWDZBQOSA-N 372.513 2.131 30 50 FEEA COc1ccc([N+](=O)[O-])cc1-c1ccc(/C=N/N=C2\NC(=O)CS2)o1 5605465 QLABXRTZGQCUGS-FRKPEAEDSA-N 360.351 2.416 30 50 FEEA CN(C)c1ccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2CCO)cc1 4095387 AWQTVEQODUENGY-SFHVURJKSA-N 366.417 2.323 30 50 FEEA CC(C)c1nc(N2CCN(c3ccc(C#N)cn3)CC2)c2cnn(C)c2n1 72131962 DCMXBFHIXAXECW-UHFFFAOYSA-N 362.441 2.080 30 50 FEEA N#CC1(C(=O)N2CC[C@@H]3[C@@H](CCC(=O)N3CCc3cccs3)C2)CC1 72473764 BEQOPIPKNRAYFJ-GOEBONIOSA-N 357.479 2.434 30 50 FEEA N#Cc1cccc([C@@H](C#CC2(O)CCCC2)N2CCC(C(N)=O)CC2)c1 96162838 YUIFJXZQWDQWOS-LJQANCHMSA-N 351.450 2.105 30 50 FEEA CC1=CCN(C(=O)c2cccc(S(=O)(=O)N3CCC[C@@H](C#N)C3)c2)CC1 216293529 ZOOSFYQRISUVOA-INIZCTEOSA-N 373.478 2.403 30 50 FEEA Cc1ccc(C(=O)N2C[C@@H](CO)O[C@H](C)C2)cc1N=C(O)NC(C)(C)C 330990457 MOHDPIJWPWKMOA-HIFRSBDPSA-N 363.458 2.150 30 50 FEEA CCOc1ccccc1CN1CCN(c2ccc(C#N)cn2)C[C@H]1CCO 106957560 XWIJOVWRVOKBOK-LJQANCHMSA-N 366.465 2.425 30 50 FEEA CN(Cc1nccs1)[C@@H]1CC12CCN(/C(O)=N/C[C@@H]1CCOC1)CC2 328631595 KSNCVSOQNWYJEX-LSDHHAIUSA-N 364.515 2.380 30 50 FEEA CC1(C)OB(C2CCN(C(=O)[C@H]3CC(=O)N(C4CC4)C3)CC2)OC1(C)C 864235496 ZWQJOASLRFAKQF-ZDUSSCGKSA-N 362.279 2.082 30 50 FEEA Cc1nc(CN2CCCN(C(=O)Nc3ccn(CCC#N)n3)CC2)cs1 173369298 TTWOAHSYIRNWBA-UHFFFAOYSA-N 373.486 2.302 30 50 FEEA Cc1ccc2c(c1)N(CC(=O)N1CCN([C@H](C#N)C(C)C)CC1)C[C@H](C)O2 253417623 MOIQLZNUUVRPEZ-PKOBYXMFSA-N 370.497 2.275 30 50 FEEA CCCc1ccc(S(=O)(=O)N/N=C(\C)c2c(O)cc(C)oc2=O)cc1 17074885 GWCDUUWOLMLMJX-LDADJPATSA-N 364.423 2.309 30 50 FEEA Cn1c(Cn2ccnc2)nnc1[C@@H]1CCCN(Cc2cccc(C#N)c2)C1 95378809 FSOHKIPFDRHGLG-GOSISDBHSA-N 361.453 2.311 30 50 FEEA C#CCCC1(CCC(=O)N[C@H]2CCN(c3ccccc3OC)C2=O)N=N1 952879202 BOSXCDVFCQQXAO-AWEZNQCLSA-N 354.410 2.272 30 50 FEEA C#CCCC1(CCC(=O)N2C[C@@H](c3cnn(C)c3)C3(CCOCC3)C2)N=N1 952882370 VCTQUKWNZICEGP-KRWDZBQOSA-N 369.469 2.498 30 50 FEEA Cc1cccnc1CN1CCN(C(=O)c2ccc(C#CC(C)(C)O)o2)CC1 952986865 IVZXGWKSOBYBRJ-UHFFFAOYSA-N 367.449 2.063 30 50 FEEA N#Cc1ccccc1OCc1ccc(C(=O)N2CCC[C@@H](OCCO)C2)o1 170681052 AGARZPFIFCYOJY-MRXNPFEDSA-N 370.405 2.344 30 50 FEEA Cc1c([C@@H](C)NC(=O)C2=CC(=O)CC(C)(C)O2)cnn1-c1ccccn1 12318971 OLYVMRDEBPLJGV-GFCCVEGCSA-N 354.410 2.405 30 50 FEEA N#Cc1ccc(C(=O)N2CC[C@@]34O[C@@H](c5ccccc5)CN3C(=O)C[C@@H]24)cc1 1857723403 FBGGREGUWADBCV-KNKQGSTJSA-N 373.412 2.473 30 50 FEEA CC(=O)N(CC(=O)O)[C@H]1CCCN(C/C(O)=N/CC2CCCCC2)CC1 328607511 WDQJZEYBEOAENO-KRWDZBQOSA-N 367.490 2.311 30 50 FEEA C#CCCC1(CCNC(=O)[C@H]2CC(=O)N(Cc3c(F)cccc3F)C2)N=N1 2325891428 GDWQCMYPCHKCLY-ZDUSSCGKSA-N 374.391 2.395 30 50 FEEA C=CCn1c(SCc2ccc(F)cc2)nc2c1c(=O)n(C)c(=O)n2C 629280 DBPQYMAERZLKDP-UHFFFAOYSA-N 360.414 2.051 30 50 FEEA CC(C)(O)C#Cc1ccc(C(=O)NC2CCN(Cc3cccnc3)CC2)o1 952978926 UICMFFSHVWVUIM-UHFFFAOYSA-N 367.449 2.191 30 50 FEEA Cc1cc(C)c(C#N)c(NC[C@H]2CCC(=O)N(C)[C@@H]2c2cnn(C)c2)n1 886088754 RPNWLQPMCNQFDL-KDOFPFPSSA-N 352.442 2.325 30 50 FEEA CC(=O)c1ccc(S(=O)(=O)NC(=O)[C@H]2C[C@@H]2c2cccc(C#N)c2)cc1 170650438 FABAKQSHTGGTAH-MSOLQXFVSA-N 368.414 2.369 30 50 FEEA CN(C)CCCN1C(=O)C(O)=C(C(=O)c2ccco2)[C@@H]1c1ccncc1 19883456 IISWWMDQMFDNHH-INIZCTEOSA-N 355.394 2.205 30 50 FEEA O=[N+]([O-])c1ccc(O)c(/C=N/[C@@H]2CCO[C@H](OCc3ccccc3)[C@@H]2O)c1 34133072 ZMSXHIFFAZWZHY-KAZILJBQSA-N 372.377 2.412 30 50 FEEA C=CC[N@@+]12[C@H]3C[C@]45c6ccccc6N(C)[C@H]4[C@@H]1C[C@H]([C@@H](CC)[C@H]2O)[C@H]3[C@H]5O 252441240 LSVIWPNZJIGKRQ-TUOLCLISSA-N 367.513 2.255 30 50 FEEA N#Cc1ccc(C(=O)N2CC[C@H](NC(=O)c3cc4cnccc4[nH]3)C2)cc1 1875354384 GDQGFGBVFCFIBE-INIZCTEOSA-N 359.389 2.079 30 50 FEEA CC1=C(C(=O)NC2C[C@H]3CN(c4snc(C)c4C#N)C[C@@H]3C2)CCO1 1875406124 XPJSXICFPOAFIJ-STQMWFEESA-N 358.467 2.349 30 50 FEEA CN(C)Cc1cc(O[C@H]2CCN(C(=O)c3cccc(C#N)c3)C2)ccn1 886094586 AGMGAMLMQGZCLW-IBGZPJMESA-N 350.422 2.308 30 50 FEEA O=C(O)c1ccc(/C=N/Nc2cc(C(F)(F)F)nc3ncnn23)cc1 170663916 LBZPNLBMYBURFB-KPSZGOFPSA-N 350.260 2.287 30 50 FEEA C[C@H](Oc1ccc(Br)cc1)C(=O)O/N=C(\N)c1cccnc1 5059711 QFDIOEGMJFBDMR-JTQLQIEISA-N 364.199 2.475 30 50 FEEA CS(=O)(=O)N(C1CCC1)[C@@H]1CCCN(C(O)=Nc2cccnc2)CC1 328652675 WPEZQCKUOMKPRO-MRXNPFEDSA-N 366.487 2.296 30 50 FEEA N#Cc1ccccc1C(=O)N1CCc2[nH]c(-c3ccc(C(N)=O)cc3)nc2C1 218625905 QXSBCVWCQDIXPQ-UHFFFAOYSA-N 371.400 2.246 30 50 FEEA C=CCN1CC[C@]2(CCC1=O)CN(C(=O)NCc1ccccc1)CCN2C 91691573 RAJWJJIANCFWCU-OAQYLSRUSA-N 370.497 2.081 30 50 FEEA CC(=O)N1C[C@H](NC(=O)c2cccc(CC#N)c2)CC[C@H]1C(F)(F)F 886039454 IGEGNEOTJBYQDZ-CABCVRRESA-N 353.344 2.424 30 50 FEEA CCN(CC)CCN1C(=O)C(O)=C(C(C)=O)[C@@H]1c1ccccc1[N+](=O)[O-] 19794689 MKCHLZOISJTFDG-INIZCTEOSA-N 361.398 2.221 30 50 FEEA Cc1cc(N=C(O)CN(C)C[C@@H]2CCCN(C)[C@H]2c2cnn(C)c2)on1 328655180 YCMGSSBTGFBCBU-KBXCAEBGSA-N 360.462 2.319 30 50 FEEA Cc1ccc(C(=O)N2C[C@H](C)O[C@@H](CO)C2)cc1N=C(O)NC(C)(C)C 330990456 MOHDPIJWPWKMOA-DZGCQCFKSA-N 363.458 2.150 30 50 FEEA C[C@]1(O)CCCN(c2cc(C#N)c([N+](=O)[O-])c(N3CCC[C@](C)(O)C3)c2)C1 270866698 AYJCVVNDRGPCIP-OALUTQOASA-N 374.441 2.169 30 50 FEEA COC(=O)Oc1ccc(/C=N/NS(=O)(=O)c2ccccc2)cc1OC 1172239 BWGDGLZXTAYONA-GZTJUZNOSA-N 364.379 2.153 30 50 FEEA N#Cc1c[nH]c(C(=O)N2CCC[C@]3(CCc4c(O)nc(C5CC5)nc43)C2)c1 1857710632 IAHMJPDTBCAGBC-FQEVSTJZSA-N 363.421 2.380 30 50 FEEA C=C1C(C)(C)[C@H]2CC[C@]1(C(=O)N1CCC3(CC1)C(=O)NCCCN3C)C2 67966361 GOYMEMYUPABIAQ-JXFKEZNVSA-N 359.514 2.182 30 50 FEEA Cc1ccc2c(c1)N(CC(=O)N1CCN([C@H](C#N)C(C)C)CC1)C[C@@H](C)O2 253417619 MOIQLZNUUVRPEZ-IEBWSBKVSA-N 370.497 2.275 30 50 FEEA N#Cc1ccc(O[C@H]2COCC[C@@H]2NC(=O)c2cn3ccsc3n2)cc1 1565509364 AIBXRZQFLHRHCC-HOCLYGCPSA-N 368.418 2.234 30 50 FEEA CCN(CC)c1ccc([P+](C)(N2CCOCC2)N2CCOCC2)cc1 5311848 APUIEKGKFFBLDO-UHFFFAOYSA-N 366.466 2.300 30 50 FEEA C#CCCC1(CCNC(=O)c2nn(-c3ccccc3)cc2CCCO)N=N1 2325891099 QOKHSINCSLXAQY-UHFFFAOYSA-N 365.437 2.493 30 50 FEEA C=CCS(=O)(=O)N1CC[C@]2(CCCN(Cc3cccc(C)c3)C2=O)C1 12073757 KLLNNBYBVLNDDQ-LJQANCHMSA-N 362.495 2.325 30 50 FEEA C[C@H]1CN(Cc2csc(NC(=O)c3ccnc(C#N)c3)n2)C[C@@H](C)O1 192842961 NBUHLFSJUBKZAG-TXEJJXNPSA-N 357.439 2.271 30 50 FEEA Cn1ncnc1C/N=C(/O)[C@H]1CCO[C@@H]1c1ccnn1-c1ccc(F)cc1 328608406 YXABROWDXYHFRM-YOEHRIQHSA-N 370.388 2.374 30 50 FEEA Cc1noc([C@H](C)/N=C(/O)[C@@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2)n1 329409757 CTOZRBNEVPWBOI-CMPLNLGQSA-N 372.381 2.220 30 50 FEEA N#Cc1cnc(N2CCC[C@@](O)(Cc3nc(C4CC4)no3)C2)c(Cl)c1 818145575 ONKNAVSHONEVQR-QGZVFWFLSA-N 359.817 2.441 30 50 FEEA Cc1ccc(C(=O)N2CC[C@@H](c3cc(O)nc(N(C)C)n3)C2)cc1C#N 864836788 NZGDEHQPLMXXRK-CQSZACIVSA-N 351.410 2.058 30 50 FEEA N#Cc1cnc(N2CC[C@H](c3cc(O)nc(N4CCCC4)n3)C2)c(F)c1 864312370 VYHMSJAGRCTVMP-ZDUSSCGKSA-N 354.389 2.182 30 50 FEEA C#CCC(C(=O)OC)(C(=O)OC)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] 8781866 OGLPYFOALAEJNC-UHFFFAOYSA-N 359.256 2.221 30 50 FEEA Cc1cc(C)c(C#N)c(N2CCN(S(=O)(=O)Cc3ccccc3)CC2)n1 20405362 YYDDMYACLMMNSL-UHFFFAOYSA-N 370.478 2.222 30 50 FEEA N#Cc1cccc(C(=O)N2C[C@@H]3CC[C@H](C2)C(=O)N3Cc2cscn2)c1 247636581 DVOJZZLLRDZSFN-WBVHZDCISA-N 366.446 2.278 30 50 FEEA COc1cc(N2CCN(/C(O)=N/[C@@H]3C(O)=NCC[C@H]3C)CC2)ccc1F 328760646 XPULWYHQUOSWME-WBMJQRKESA-N 364.421 2.235 30 50 FEEA CCN1CCO[C@@H](CNc2nc(C)cc(C)c2C#N)[C@@H]1c1cncn1C 952852791 MEAVZRTUCJKQKY-ROUUACIJSA-N 354.458 2.178 30 50 FEEA N#Cc1ccc(C(=O)N[C@@H]2COC[C@H]2Cc2ccnc3ccccc23)cn1 1704348170 DURQVWCTZDGMEH-OXQOHEQNSA-N 358.401 2.489 30 50 FEEA